data_2k2f_residue save_MolProbity _Software.Sf_category software _Software.Sf_framecode MolProbity _Software.Entry_ID ? _Software.ID 1 _Software.Name MolProbity _Software.Version 4.0 _Software.Details . save_ save_CYRANGE _Software.Sf_category software _Software.Sf_framecode CYRANGE _Software.Entry_ID ? _Software.ID 2 _Software.Name CYRANGE _Software.Version 2.0 _Software.Details . save_ save_Structure_validation_residue _Structure_validation_residue.Sf_category structure_validation _Structure_validation_residue.Sf_framecode Structure_validation_residue _Structure_validation_residue.Entry_ID ? _Structure_validation_residue.List_ID 1 _Structure_validation_residue.PDB_accession_code 2k2f _Structure_validation_residue.Date_analyzed 2016-10-07 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 ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.274 0.559 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.61 -50.17 74.93 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 110.271 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 55.9 tp -61.17 -49.98 75.03 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 110.973 -178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.1 mp -68.66 -39.96 80.42 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.155 -0.966 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 N--CA 1.489 1.48 0 O-C-N 120.99 -1.069 . . . . 0.0 109.075 179.427 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.265 0.555 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -59.84 -49.98 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.184 -0.947 . . . . 0.0 110.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.3 -49.99 74.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.097 -1.002 . . . . 0.0 110.887 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.1 mp -68.6 -39.98 80.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.187 -0.945 . . . . 0.0 109.561 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.106 179.379 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.556 ' OE2' ' ND2' ' B' ' 13' ' ' ASN . 96.9 mt-10 -64.87 -54.99 22.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.758 -0.589 . . . . 0.0 111.055 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.0 -39.66 78.82 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.873 -1.142 . . . . 0.0 111.019 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -53.72 -44.42 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.715 -1.24 . . . . 0.0 108.592 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.5 p -70.58 -34.88 72.68 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.403 -0.811 . . . . 0.0 110.115 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.436 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.36 -52.7 60.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.347 -0.846 . . . . 0.0 110.44 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 ttt -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.768 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.41 -40.02 92.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.303 -0.873 . . . . 0.0 110.507 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 ' H ' ' HG1' ' A' ' 10' ' ' THR . 4.0 p -69.43 -46.1 67.58 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.812 0.815 . . . . 0.0 110.725 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.14 -49.68 76.67 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.762 -0.586 . . . . 0.0 112.305 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.2 mt -76.37 -39.81 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 0.0 112.438 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.553 ' ND2' ' OE2' ' B' ' 3' ' ' GLU . 34.9 t30 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 119.984 -1.697 . . . . 0.0 109.895 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.42 -29.92 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.366 -0.834 . . . . 0.0 110.318 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.424 ' O ' ' OG ' ' A' ' 19' ' ' SER . 64.4 t80 -60.03 -53.35 58.9 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.257 -0.902 . . . . 0.0 111.361 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -80.34 -20.83 43.29 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.972 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.38 3.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.574 -1.329 . . . . 0.0 110.696 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -80.38 -25.57 39.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.681 -1.262 . . . . 0.0 111.261 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.599 ' HG ' ' CD1' ' A' ' 28' ' ' LEU . 20.4 m -60.38 -22.99 63.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.661 -1.274 . . . . 0.0 110.818 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.21 28.02 10.15 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.7 tptt . . . . . 0 C--N 1.304 -1.376 0 O-C-N 121.02 -1.282 . . . . 0.0 109.151 -179.454 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.7 p90 . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 141.53 35.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 175.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.599 ' CD1' ' HG ' ' A' ' 19' ' ' SER . 3.2 mm? -98.05 154.36 17.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.762 -1.211 . . . . 0.0 110.651 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.413 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 70.9 m -127.59 160.97 29.95 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' SER . 34.4 ttmt -47.95 -41.16 24.28 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.213 -1.395 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -70.88 -32.6 69.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.117 -0.989 . . . . 0.0 112.193 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.3 mt-10 -76.47 -38.26 55.63 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.481 -1.387 . . . . 0.0 108.857 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.0 -50.02 75.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.723 -0.611 . . . . 0.0 112.36 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -68.99 -30.0 68.31 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.815 -1.178 . . . . 0.0 112.26 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' O ' ' OG1' ' A' ' 39' ' ' THR . 58.9 t0 -76.25 -35.18 59.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.621 -1.299 . . . . 0.0 109.346 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -36.3 83.0 Favored 'General case' 0 C--N 1.287 -2.122 0 O-C-N 120.881 -1.137 . . . . 0.0 110.593 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.36 -39.93 27.58 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.716 -1.24 . . . . 0.0 112.162 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -68.98 -18.3 64.04 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.647 -1.283 . . . . 0.0 108.192 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 42.1 m -67.74 -70.23 0.27 Allowed 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.814 -0.554 . . . . 0.0 111.064 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -107.78 -31.86 7.87 Favored 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 120.325 1.42 . . . . 0.0 113.046 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -92.84 66.04 4.24 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.209 -1.557 . . . . 0.0 108.92 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 44' ' ' PHE . 95.7 p -84.01 144.17 29.29 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.024 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 42' ' ' SER . 1.9 p 68.92 -7.0 0.8 Allowed 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.097 -1.002 . . . . 0.0 110.571 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 42' ' ' SER . 97.4 m-85 -103.72 -61.19 1.46 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.7 mm? -105.82 136.03 46.19 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -118.9 152.17 36.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.671 -1.268 . . . . 0.0 109.049 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 34.0 m -159.36 -34.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.407 ' CG ' ' H ' ' A' ' 49' ' ' LYS . 12.7 pt20 -75.85 -55.44 5.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.188 -0.945 . . . . 0.0 111.981 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.407 ' H ' ' CG ' ' A' ' 48' ' ' GLN . 48.1 pttt -70.05 -32.61 70.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.704 -1.248 . . . . 0.0 110.575 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 14.9 p-10 -99.78 94.66 6.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.101 -0.999 . . . . 0.0 109.505 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.95 75.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.48 -0.762 . . . . 0.0 110.373 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -38.31 82.19 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.113 -0.992 . . . . 0.0 108.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.15 90.14 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.641 -0.662 . . . . 0.0 111.277 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 60.1 t -69.59 -55.68 14.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.912 -1.117 . . . . 0.0 112.189 -177.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -65.84 -40.43 91.75 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.314 -1.491 . . . . 0.0 111.133 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -70.16 -40.07 74.95 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.082 -1.011 . . . . 0.0 111.723 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' LEU . 91.3 mt -80.96 -52.32 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.062 -1.024 . . . . 0.0 110.916 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -62.4 -44.43 96.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.654 -0.654 . . . . 0.0 111.214 -177.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -69.41 -35.84 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.917 -1.114 . . . . 0.0 109.831 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.89 -18.65 25.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.122 -0.986 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.65 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.2 tp -75.87 -24.76 55.74 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.0 m-20 -86.97 43.51 1.1 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 175.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.65 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.3 tt0 -38.34 -19.13 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 111.878 -2.419 . . . . 0.0 110.639 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 7.9 m120 -88.43 -4.82 58.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.59 -1.319 . . . . 0.0 108.627 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 83.18 36.62 14.34 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.654 ' C ' ' H ' ' A' ' 68' ' ' GLU . 16.2 t0 -109.87 110.2 21.09 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.19 8.36 0.1 OUTLIER Glycine 0 N--CA 1.495 2.616 0 O-C-N 119.067 -2.271 . . . . 0.0 110.198 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.654 ' H ' ' C ' ' A' ' 66' ' ' ASP . 96.9 mt-10 -120.35 143.5 48.37 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.99 136.54 38.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 122.077 0.941 . . . . 0.0 110.975 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.07 163.05 18.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.386 -0.821 . . . . 0.0 108.866 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 53.9 p90 -59.91 -40.05 87.5 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 110.303 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -63.0 -39.95 96.31 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.067 -1.02 . . . . 0.0 111.153 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -68.92 -39.97 79.34 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.477 -1.389 . . . . 0.0 109.769 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.77 -40.04 94.62 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.75 -38.41 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.967 -1.083 . . . . 0.0 111.548 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.38 -58.83 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 112.114 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -39.99 72.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.692 -1.255 . . . . 0.0 112.348 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.0 t -68.87 -38.72 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.811 -1.181 . . . . 0.0 109.961 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.71 -24.75 62.71 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.443 -0.786 . . . . 0.0 109.278 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 -53.04 57.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.965 -1.085 . . . . 0.0 108.62 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -65.09 -25.1 67.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.462 -0.774 . . . . 0.0 109.652 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 88.2 m -64.52 -55.53 19.98 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.69 -177.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.48 -32.56 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.989 -1.07 . . . . 0.0 110.605 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.98 -52.46 56.1 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.562 -0.711 . . . . 0.0 110.453 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.08 -39.96 87.87 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 109.922 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 21.4 m120 -60.1 -40.05 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.242 -0.911 . . . . 0.0 110.476 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 N--CA 1.494 1.772 0 O-C-N 120.955 -1.09 . . . . 0.0 110.507 -178.728 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.553 ' OE2' ' ND2' ' A' ' 13' ' ' ASN . 97.3 mt-10 -64.63 -54.78 26.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.742 -0.599 . . . . 0.0 111.011 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -58.2 -39.7 79.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.871 -1.143 . . . . 0.0 110.906 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -53.25 -45.08 68.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.686 -1.259 . . . . 0.0 108.58 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 20.5 p -70.48 -33.26 71.04 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.452 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -56.23 -51.77 66.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.878 . . . . 0.0 110.279 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.8 ttt -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.41 -0.806 . . . . 0.0 109.711 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.5 -40.01 93.04 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.318 -0.864 . . . . 0.0 110.435 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 3.6 p -69.35 -46.24 67.49 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.715 0.769 . . . . 0.0 110.632 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.04 -49.59 77.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.763 -0.586 . . . . 0.0 112.456 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.31 -39.97 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.126 -0.983 . . . . 0.0 112.389 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.556 ' ND2' ' OE2' ' A' ' 3' ' ' GLU . 33.9 t30 -60.08 -39.93 87.79 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.117 -1.614 . . . . 0.0 109.804 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -80.31 -30.03 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.338 -0.851 . . . . 0.0 110.344 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' B' ' 19' ' ' SER . 64.9 t80 -60.04 -53.35 58.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 111.428 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.3 -20.94 43.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 122.022 -0.424 . . . . 0.0 111.972 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.25 3.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.56 -1.337 . . . . 0.0 110.695 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -80.36 -25.52 39.15 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.682 -1.261 . . . . 0.0 111.285 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 20.6 m -60.35 -23.05 63.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.627 -1.296 . . . . 0.0 110.824 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 28.33 9.79 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt . . . . . 0 C--N 1.304 -1.382 0 O-C-N 121.052 -1.264 . . . . 0.0 109.078 -179.622 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 p90 . . . . . 0 N--CA 1.504 2.265 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.49 141.59 35.37 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -98.26 154.28 17.91 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.644 -1.285 . . . . 0.0 110.708 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.407 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 73.8 m -127.33 161.05 29.54 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.414 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 34.1 ttmt -48.03 -40.93 24.32 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.237 -1.385 . . . . 0.0 109.998 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -71.83 -31.75 66.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.095 -1.003 . . . . 0.0 112.009 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.0 mt-10 -76.6 -38.28 55.08 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.405 -1.435 . . . . 0.0 108.865 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.95 -50.03 75.35 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.747 -0.596 . . . . 0.0 112.455 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -69.21 -29.75 67.78 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.764 -1.21 . . . . 0.0 112.289 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.417 ' O ' ' OG1' ' B' ' 39' ' ' THR . 59.1 t0 -76.29 -35.27 58.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.647 -1.283 . . . . 0.0 109.358 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -36.22 82.83 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 120.902 -1.124 . . . . 0.0 110.666 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.64 -39.23 27.72 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.619 -1.301 . . . . 0.0 112.174 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.61 -18.17 63.59 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.649 -1.282 . . . . 0.0 108.22 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 37.0 m -67.81 -70.33 0.26 Allowed 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.904 -0.497 . . . . 0.0 111.007 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -107.56 -31.94 7.9 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.26 1.391 . . . . 0.0 113.101 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.4 mt -92.85 66.22 4.26 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.15 -1.594 . . . . 0.0 109.002 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.446 ' O ' ' OG ' ' B' ' 43' ' ' SER . 96.4 p -84.01 144.45 29.11 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.993 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 42' ' ' SER . 2.8 p 68.66 -7.28 0.74 Allowed 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.179 -0.951 . . . . 0.0 110.569 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' B' ' 42' ' ' SER . 96.9 m-85 -103.3 -61.46 1.41 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 2.6 mm? -105.68 136.38 45.4 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -119.02 152.05 37.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.659 -1.276 . . . . 0.0 109.014 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.439 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 33.9 m -159.25 -34.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.41 ' CG ' ' H ' ' B' ' 49' ' ' LYS . 12.4 pt20 -75.85 -55.42 5.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.175 -0.953 . . . . 0.0 111.983 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.41 ' H ' ' CG ' ' B' ' 48' ' ' GLN . 47.8 pttt -70.03 -32.7 70.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.708 -1.245 . . . . 0.0 110.566 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.545 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 14.6 p-10 -99.73 94.66 6.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.097 -1.002 . . . . 0.0 109.573 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.98 -38.17 75.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.532 -0.73 . . . . 0.0 110.399 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -37.78 80.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.108 -0.995 . . . . 0.0 108.383 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.26 82.71 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.668 -0.645 . . . . 0.0 111.785 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 62.4 t -71.46 -55.6 13.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.897 -1.127 . . . . 0.0 112.085 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.414 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 80.7 m-20 -65.84 -40.23 91.55 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.397 -1.439 . . . . 0.0 111.116 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -40.0 74.13 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.091 -1.006 . . . . 0.0 111.677 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' LEU . 92.0 mt -80.99 -52.41 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.5 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.685 -0.634 . . . . 0.0 111.364 -177.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -69.2 -36.01 76.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.913 -1.117 . . . . 0.0 109.844 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.8 -18.63 25.91 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.987 . . . . 0.0 109.718 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.64 ' C ' ' H ' ' B' ' 63' ' ' GLU . 44.0 tp -75.89 -24.8 55.68 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' B' ' 64' ' ' ASN . 15.1 m-20 -86.9 43.38 1.09 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.64 ' H ' ' C ' ' B' ' 61' ' ' LEU . 84.0 tt0 -38.2 -19.24 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 112.016 -2.356 . . . . 0.0 110.6 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' B' ' 62' ' ' ASP . 7.7 m120 -88.3 -4.94 58.61 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.65 -1.281 . . . . 0.0 108.758 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 84.15 34.31 18.02 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.642 ' C ' ' H ' ' B' ' 68' ' ' GLU . 18.2 t0 -107.92 110.33 22.05 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.64 8.61 0.12 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 118.999 -2.313 . . . . 0.0 110.118 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.642 ' H ' ' C ' ' B' ' 66' ' ' ASP . 96.8 mt-10 -120.38 143.36 48.47 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.39 136.75 36.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 CA-C-O 122.038 0.923 . . . . 0.0 110.96 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.2 163.07 18.01 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.7 p90 -59.98 -39.99 87.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.12 -0.988 . . . . 0.0 110.248 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.535 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.5 tt0 -62.91 -40.02 96.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.081 -1.012 . . . . 0.0 111.134 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.458 -1.401 . . . . 0.0 109.767 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -64.79 -39.96 94.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.74 -38.2 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.863 -1.148 . . . . 0.0 111.584 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.54 -58.81 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.07 -1.019 . . . . 0.0 112.131 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.69 -40.05 73.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.644 -1.285 . . . . 0.0 112.26 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.11 -38.55 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.812 -1.18 . . . . 0.0 109.87 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -24.33 62.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.437 -0.789 . . . . 0.0 109.419 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.53 -57.37 10.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.14 -26.15 66.06 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.543 0.687 . . . . 0.0 109.771 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 91.1 m -64.51 -55.63 19.37 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.069 -1.019 . . . . 0.0 110.834 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.4 -32.21 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.88 -1.138 . . . . 0.0 110.704 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.18 51.3 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.572 0.701 . . . . 0.0 110.339 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.6 m -60.01 -40.05 87.9 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.643 -0.661 . . . . 0.0 109.771 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 82' ' ' THR . 21.8 m120 -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.154 -0.966 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.2 t30 . . . . . 0 N--CA 1.495 1.78 0 O-C-N 120.983 -1.073 . . . . 0.0 110.525 -178.699 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -60.04 -48.91 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.427 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.0 -50.13 74.95 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.915 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.74 -39.98 95.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.0 110.136 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.077 -1.015 . . . . 0.0 110.992 -178.951 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -59.96 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.08 -50.15 74.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.31 -0.868 . . . . 0.0 110.899 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.65 -39.95 95.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.94 . . . . 0.0 110.896 -178.822 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.498 1.956 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.9 mt-10 -60.13 -56.93 15.54 Favored 'General case' 0 C--O 1.2 -1.5 0 O-C-N 121.305 -0.872 . . . . 0.0 110.783 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.2 -38.64 77.15 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.887 -1.133 . . . . 0.0 110.296 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -54.62 -45.36 73.67 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.962 -1.086 . . . . 0.0 108.287 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 33.6 p -70.0 -36.38 75.1 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.487 -0.758 . . . . 0.0 110.052 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.419 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -51.46 -51.78 52.03 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.334 -0.854 . . . . 0.0 109.872 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ttt -60.04 -36.16 76.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.45 -39.94 94.78 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.211 -0.931 . . . . 0.0 110.464 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 15.0 p -68.25 -46.74 69.64 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.83 0.824 . . . . 0.0 110.553 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -45.31 93.23 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mt -80.7 -36.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.754 -1.216 . . . . 0.0 112.274 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -59.98 -40.22 88.35 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.197 -1.564 . . . . 0.0 109.911 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -80.62 -34.69 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.357 -0.839 . . . . 0.0 110.682 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.347 -0.846 . . . . 0.0 112.446 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -82.56 -21.07 35.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.514 -0.742 . . . . 0.0 111.675 -177.317 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.86 -59.96 2.71 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.569 -1.332 . . . . 0.0 110.47 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.484 ' HE2' ' CG ' ' A' ' 35' ' ' ASP . 46.9 t-80 -71.66 -36.36 70.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.728 -1.232 . . . . 0.0 111.138 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -57.53 -20.03 28.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.955 -1.091 . . . . 0.0 111.328 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.74 19.94 12.16 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? . . . . . 0 N--CA 1.49 1.537 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.314 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.503 2.193 0 CA-C-O 121.867 0.842 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.4 145.65 27.07 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -97.01 152.11 19.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.77 -1.206 . . . . 0.0 110.104 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.435 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 23.4 t -129.21 164.07 24.23 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -49.44 -42.3 42.48 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.489 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -71.59 -31.5 67.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.838 -1.164 . . . . 0.0 111.968 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.7 mt-10 -74.32 -37.26 63.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.262 -1.524 . . . . 0.0 108.269 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.09 -51.57 69.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.864 -0.522 . . . . 0.0 112.088 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.814 -1.179 . . . . 0.0 112.52 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.484 ' CG ' ' HE2' ' A' ' 18' ' ' HIS . 11.3 t0 -71.08 -32.13 68.71 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.944 -1.097 . . . . 0.0 109.895 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.1 tp -64.61 -40.06 94.83 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.606 -0.684 . . . . 0.0 112.751 -177.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.89 -33.75 21.15 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.316 -1.49 . . . . 0.0 113.215 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.98 -19.63 63.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.627 -1.295 . . . . 0.0 109.782 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -77.77 -67.25 0.74 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.613 -0.679 . . . . 0.0 112.119 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 26.4 mp0 -86.89 -48.25 8.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.367 -1.458 . . . . 0.0 111.144 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.87 66.89 5.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.17 . . . . 0.0 108.253 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.0 m -79.9 -23.55 41.75 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.119 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -108.15 4.06 24.46 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.053 -1.029 . . . . 0.0 111.675 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -119.94 -80.7 0.62 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.043 -1.035 . . . . 0.0 108.91 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 mm? -70.89 137.45 49.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.53 151.77 34.25 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 32.9 m -155.24 -34.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.75 -17.96 24.61 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.927 -1.108 . . . . 0.0 110.466 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -68.24 -39.98 82.14 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.245 -0.91 . . . . 0.0 108.924 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -129.96 116.8 19.12 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.341 0.591 . . . . 0.0 109.909 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.26 -30.79 71.69 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.43 -39.99 89.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.489 -0.757 . . . . 0.0 109.002 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.237 -0.914 . . . . 0.0 110.655 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 27.2 t -69.98 -56.44 11.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 112.594 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.15 -40.1 95.43 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.592 -1.317 . . . . 0.0 111.54 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -72.37 -39.91 67.68 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 111.267 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.5 mt -74.75 -53.67 16.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.05 -1.031 . . . . 0.0 109.867 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.9 tmt? -60.49 -46.09 91.39 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.166 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.37 -38.27 81.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 0.0 109.811 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -89.01 -17.04 30.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 0.0 109.832 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.529 ' C ' ' H ' ' A' ' 63' ' ' GLU . 56.8 tp -82.23 -13.61 56.81 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.7 m-20 -96.78 34.19 1.73 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 175.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.529 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.6 pt-20 -36.08 -20.66 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 111.984 -2.371 . . . . 0.0 111.275 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 62' ' ' ASP . 83.5 m-20 -84.35 0.68 48.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.568 -1.332 . . . . 0.0 107.909 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 74.44 29.54 61.73 Favored Glycine 0 N--CA 1.478 1.475 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.669 ' C ' ' H ' ' A' ' 68' ' ' GLU . 19.9 p-10 -109.2 110.95 22.29 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.2 12.81 0.04 OUTLIER Glycine 0 N--CA 1.493 2.447 0 O-C-N 119.504 -1.997 . . . . 0.0 111.018 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.669 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.7 mt-10 -120.01 139.61 52.23 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.16 127.96 53.88 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 CA-C-O 122.156 0.979 . . . . 0.0 110.533 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.2 159.31 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.9 p90 -59.96 -36.33 76.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.127 -0.983 . . . . 0.0 110.135 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.3 tt0 -62.33 -40.14 95.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.771 -1.206 . . . . 0.0 110.484 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.12 -42.14 73.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.872 -1.143 . . . . 0.0 111.201 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.414 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 43.7 t80 -64.5 -50.11 68.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.28 -0.888 . . . . 0.0 111.989 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.32 -35.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.877 -0.514 . . . . 0.0 111.77 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.07 -58.98 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.051 -1.031 . . . . 0.0 111.577 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.74 -43.63 92.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.043 -1.036 . . . . 0.0 113.236 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 32.6 m -61.45 -35.33 65.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.967 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.14 -27.44 57.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.141 -0.975 . . . . 0.0 109.627 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.53 -30.29 70.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.002 -1.061 . . . . 0.0 109.445 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.69 -24.07 19.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.148 -0.97 . . . . 0.0 109.877 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -65.23 -53.44 44.45 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.76 -179.059 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 82' ' ' THR . 3.6 m -82.3 -37.49 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.734 -1.229 . . . . 0.0 111.05 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.05 91.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.959 -1.088 . . . . 0.0 110.71 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.2 t -71.42 -39.02 71.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.258 -0.902 . . . . 0.0 110.119 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -60.01 -46.16 90.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.82 . . . . 0.0 110.7 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.6 t30 . . . . . 0 C--N 1.299 -1.605 0 O-C-N 121.107 -0.995 . . . . 0.0 110.9 -179.194 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.463 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.9 mt-10 -59.95 -56.86 16.48 Favored 'General case' 0 C--O 1.201 -1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 110.705 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.32 -38.7 77.64 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.82 -1.175 . . . . 0.0 110.318 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.41 -45.42 72.94 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.986 -1.071 . . . . 0.0 108.329 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 32.2 p -70.08 -35.24 74.06 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.456 -0.777 . . . . 0.0 110.022 179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -50.87 63.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.717 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.7 ttt -59.93 -36.17 76.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 0.0 109.662 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.47 -40.04 94.95 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.203 -0.936 . . . . 0.0 110.321 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.0 p -68.29 -46.47 70.25 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.15 -45.2 93.88 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.7 -36.54 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.683 -1.261 . . . . 0.0 112.091 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.01 -40.18 88.4 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.225 -1.547 . . . . 0.0 109.875 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 p -80.59 -34.39 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.333 -0.854 . . . . 0.0 110.739 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.06 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.424 -0.798 . . . . 0.0 112.399 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -82.7 -20.85 35.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.503 -0.748 . . . . 0.0 111.769 -177.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.539 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.12 -59.89 2.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.613 -1.305 . . . . 0.0 110.4 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.473 ' HE2' ' CG ' ' B' ' 35' ' ' ASP . 48.3 t-80 -71.81 -36.39 70.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.756 -1.215 . . . . 0.0 111.059 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -57.26 -19.9 24.45 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.966 -1.084 . . . . 0.0 111.387 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.83 19.55 12.22 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? . . . . . 0 N--CA 1.49 1.527 0 O-C-N 120.839 -1.389 . . . . 0.0 108.864 179.34 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 N--CA 1.502 2.13 0 CA-C-O 121.821 0.82 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.46 145.88 27.14 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.35 151.93 19.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.879 -1.138 . . . . 0.0 110.103 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 26.7 t -129.2 163.64 25.14 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.08 -42.02 37.36 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 118.59 -1.244 . . . . 0.0 110.557 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.7 -30.25 64.07 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.721 -1.237 . . . . 0.0 111.789 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.421 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.4 mt-10 -74.84 -37.13 62.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.191 -1.568 . . . . 0.0 108.24 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.06 -51.86 67.83 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.317 0.58 . . . . 0.0 112.037 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.699 -1.251 . . . . 0.0 112.468 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.473 ' CG ' ' HE2' ' B' ' 18' ' ' HIS . 11.4 t0 -71.15 -31.96 68.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.974 -1.079 . . . . 0.0 109.864 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.463 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 tp -64.74 -40.06 94.68 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.75 -33.82 21.35 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.244 -1.535 . . . . 0.0 113.264 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.96 -19.78 63.35 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.677 -1.264 . . . . 0.0 109.859 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -77.53 -67.28 0.74 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.761 -0.587 . . . . 0.0 112.152 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.463 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 25.9 mp0 -87.11 -47.98 8.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.367 -1.458 . . . . 0.0 111.23 -177.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.9 66.83 5.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.765 -1.209 . . . . 0.0 108.205 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -80.01 -23.32 41.6 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.208 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -108.49 4.48 24.26 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.01 -1.056 . . . . 0.0 111.512 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.02 -80.71 0.62 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.027 -1.045 . . . . 0.0 108.776 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.3 mm? -71.03 137.61 49.15 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.237 -0.985 . . . . 0.0 108.407 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.57 151.69 34.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 31.4 m -155.11 -34.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.52 -18.08 24.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 110.487 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -68.2 -40.0 82.3 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.189 -0.945 . . . . 0.0 109.067 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -130.04 116.46 18.58 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.286 0.565 . . . . 0.0 109.802 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.69 70.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.2 -40.0 92.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.36 81.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.376 -0.827 . . . . 0.0 111.172 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 35.4 t -72.16 -56.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 112.589 -178.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.31 -39.97 94.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.767 -1.208 . . . . 0.0 111.567 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -72.46 -40.03 67.3 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.097 -1.002 . . . . 0.0 111.266 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -74.7 -53.45 16.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.968 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.46 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.9 tmt? -60.5 -46.0 91.74 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.188 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.69 -37.96 79.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.924 -1.11 . . . . 0.0 109.885 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.19 -17.07 29.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.093 -1.004 . . . . 0.0 109.837 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.542 ' C ' ' H ' ' B' ' 63' ' ' GLU . 56.4 tp -82.18 -13.47 57.1 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' B' ' 65' ' ' GLY . 5.6 m-20 -96.91 34.33 1.73 Allowed 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.542 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.6 pt-20 -36.16 -20.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 111.862 -2.426 . . . . 0.0 111.289 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 62' ' ' ASP . 83.7 m-20 -84.33 0.71 48.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.599 -1.313 . . . . 0.0 107.987 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 74.39 29.28 62.23 Favored Glycine 0 C--N 1.299 -1.527 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.662 ' C ' ' H ' ' B' ' 68' ' ' GLU . 20.0 p-10 -108.77 110.98 22.49 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.13 12.71 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 O-C-N 119.493 -2.004 . . . . 0.0 111.002 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.662 ' H ' ' C ' ' B' ' 66' ' ' ASP . 95.6 mt-10 -119.95 140.03 51.55 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.95 127.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 CA-C-O 122.132 0.968 . . . . 0.0 110.624 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.08 159.43 29.83 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 47.9 p90 -59.97 -36.4 77.07 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.542 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.4 tt0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.784 -1.198 . . . . 0.0 110.472 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.11 -42.13 73.06 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.841 -1.162 . . . . 0.0 111.335 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.413 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 45.1 t80 -64.57 -50.16 68.35 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.356 -0.84 . . . . 0.0 112.044 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.1 -36.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.863 -0.523 . . . . 0.0 111.704 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.96 -59.0 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.031 -1.043 . . . . 0.0 111.531 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.57 -43.54 93.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 113.159 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 30.1 m -62.16 -34.45 63.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 O-C-N 120.707 -1.246 . . . . 0.0 110.988 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.4 -27.52 56.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.024 . . . . 0.0 109.602 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.02 -23.69 67.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.893 -1.129 . . . . 0.0 109.988 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -96.39 -24.42 16.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -65.23 -53.27 46.99 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.886 -179.02 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' B' ' 82' ' ' THR . 4.1 m -82.63 -37.61 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.838 -1.164 . . . . 0.0 110.977 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.82 90.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.987 -1.071 . . . . 0.0 110.717 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.1 t -71.41 -39.17 71.29 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.177 -0.952 . . . . 0.0 110.227 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -60.0 -46.0 90.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.424 -0.798 . . . . 0.0 110.787 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.128 -0.983 . . . . 0.0 110.93 -179.371 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 84.1 t60 . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -42.19 94.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.797 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.09 -53.11 27.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.426 -0.796 . . . . 0.0 111.245 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.85 -40.01 76.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.972 -1.08 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.494 1.727 0 O-C-N 120.817 -1.177 . . . . 0.0 110.193 -179.263 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 83.9 t60 . . . . . 0 N--CA 1.486 1.374 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -64.9 -42.28 94.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.145 -0.972 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -68.28 -52.8 29.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.374 -0.829 . . . . 0.0 111.274 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -69.89 -40.07 75.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.826 -1.171 . . . . 0.0 110.454 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.493 1.721 0 O-C-N 120.841 -1.162 . . . . 0.0 110.248 -179.169 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' OG1' ' A' ' 6' ' ' THR . 95.9 mt-10 -64.3 -51.02 65.53 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.643 0.735 . . . . 0.0 110.041 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.16 -38.28 82.69 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.725 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.78 -46.42 81.53 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 122.223 1.011 . . . . 0.0 108.828 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 37.2 p -67.41 -35.05 78.5 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.62 -0.675 . . . . 0.0 110.457 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -52.29 -54.93 25.18 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.942 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.7 ppp? -59.87 -33.51 71.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.322 -1.486 . . . . 0.0 109.138 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.27 -35.12 80.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.803 . . . . 0.0 110.28 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 21.1 p -73.67 -47.36 40.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 111.131 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 70.7 mt -57.71 -41.23 81.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 111.069 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.11 -26.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.106 -0.996 . . . . 0.0 111.48 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.99 -40.04 94.28 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.35 -1.469 . . . . 0.0 109.28 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 m -79.8 -34.21 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.875 -0.516 . . . . 0.0 110.939 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 16.3 m-30 -60.06 -49.82 76.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.112 -0.992 . . . . 0.0 111.057 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . 0.506 ' C ' ' HD1' ' A' ' 16' ' ' HIS . 1.5 p80 -81.03 -20.11 42.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 112.093 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -74.04 -60.26 2.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.398 -1.439 . . . . 0.0 111.966 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 2.0 p-80 -74.97 -38.86 61.57 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.152 -1.593 . . . . 0.0 110.676 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.495 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 7.3 m -61.13 -12.64 13.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 0.0 110.208 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.58 15.63 62.9 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.8 mttm . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.064 -1.257 . . . . 0.0 108.531 178.536 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 17.4 p90 . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.836 0.827 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -141.0 142.28 34.27 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 5.3 tp -98.92 150.92 21.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.788 -1.195 . . . . 0.0 110.149 -177.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 m -130.92 165.09 23.86 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -53.22 -44.46 68.08 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.149 -0.97 . . . . 0.0 111.574 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.68 -27.29 62.94 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.621 -1.299 . . . . 0.0 110.834 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 99.1 mt-10 -75.83 -40.05 55.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.456 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 1.9 tt -60.03 -45.85 91.45 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.495 0.664 . . . . 0.0 111.33 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -63.1 -40.0 96.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.406 -0.809 . . . . 0.0 112.301 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -75.74 -27.45 58.12 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.673 -1.267 . . . . 0.0 109.893 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 48.5 tp -68.11 -39.87 82.7 Favored 'General case' 0 C--N 1.291 -1.963 0 O-C-N 121.149 -0.969 . . . . 0.0 111.852 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 mt -83.53 -37.28 23.24 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.624 -1.297 . . . . 0.0 112.467 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.1 pp0? -69.81 -33.22 72.05 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.78 -1.2 . . . . 0.0 109.832 -178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.497 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 53.4 m -86.35 -65.07 1.05 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.058 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 57.2 mp0 -69.66 -55.4 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.263 -0.898 . . . . 0.0 111.875 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -96.07 48.84 1.12 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 122.598 1.19 . . . . 0.0 108.105 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.3 p -65.77 -17.96 65.0 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.209 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.4 p -89.2 -8.47 53.51 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.795 -1.191 . . . . 0.0 113.382 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.85 -59.81 0.5 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.363 -1.461 . . . . 0.0 111.129 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 2.6 mp -71.38 134.76 46.9 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.801 -1.187 . . . . 0.0 108.885 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -122.24 156.03 34.63 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 m -158.37 -35.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -73.58 -45.57 52.44 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.97 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -70.06 -34.58 73.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.658 -1.276 . . . . 0.0 109.85 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -108.83 97.78 7.37 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.494 -0.754 . . . . 0.0 110.233 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.29 70.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.925 . . . . 0.0 108.999 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.5 -40.07 90.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.051 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.09 93.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.622 -0.674 . . . . 0.0 110.852 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.47 -52.86 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 112.011 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -60.27 -39.71 87.81 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.761 -1.212 . . . . 0.0 110.236 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -69.25 -38.95 78.69 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.137 -0.977 . . . . 0.0 112.367 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -82.09 -51.64 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.167 -1.583 . . . . 0.0 109.929 -179.44 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.495 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 7.0 tpt -60.04 -49.74 76.47 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.194 -0.941 . . . . 0.0 112.071 -177.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -70.8 -36.39 72.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.544 -1.348 . . . . 0.0 109.932 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.61 -15.92 35.96 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.502 -0.749 . . . . 0.0 110.007 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.577 ' C ' ' H ' ' A' ' 63' ' ' GLU . 62.4 tp -83.45 -14.12 53.22 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 65' ' ' GLY . 14.9 m-20 -92.59 41.94 1.09 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 174.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.577 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.0 tp10 -42.2 -23.16 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.194 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -86.14 -11.12 53.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.725 -1.234 . . . . 0.0 108.153 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 90.13 32.22 9.98 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.659 ' C ' ' H ' ' A' ' 68' ' ' GLU . 17.4 p-10 -110.46 113.76 26.65 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.69 9.54 0.06 OUTLIER Glycine 0 N--CA 1.494 2.546 0 O-C-N 119.438 -2.039 . . . . 0.0 110.599 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.659 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.6 mt-10 -118.28 138.23 52.51 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.53 130.07 61.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 72' ' ' GLN . 66.1 t0 -87.77 126.41 34.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.939 -1.1 . . . . 0.0 109.107 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' ASP . 45.6 m-85 -23.59 -38.5 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -60.74 -41.38 95.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.364 -1.46 . . . . 0.0 110.094 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.6 mt-10 -70.98 -43.15 68.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.813 -1.179 . . . . 0.0 110.82 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.437 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 17.4 t80 -61.03 -50.4 73.47 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 76' ' ' VAL . 10.0 p -59.97 -40.03 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-O 121.086 0.47 . . . . 0.0 111.615 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.412 ' N ' ' CG1' ' A' ' 75' ' ' VAL . 26.4 t -61.44 -59.46 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 111.421 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.6 -50.74 62.05 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.573 -1.33 . . . . 0.0 112.665 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 79' ' ' ALA . 16.6 m -59.98 -39.16 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 112.452 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.438 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -70.36 -25.96 63.51 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.304 -0.873 . . . . 0.0 110.193 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.03 94.53 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.02 -37.25 87.0 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.865 -0.522 . . . . 0.0 110.113 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -52.64 64.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.971 -1.08 . . . . 0.0 110.738 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -68.07 -39.36 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.222 -0.924 . . . . 0.0 110.651 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-O 121.454 0.645 . . . . 0.0 110.462 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.2 m -60.06 -40.03 88.07 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.12 -39.94 87.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 110.552 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.496 1.869 0 O-C-N 120.785 -1.197 . . . . 0.0 110.847 -179.379 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.839 0.828 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.474 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.5 mt-10 -64.3 -51.07 65.3 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.555 0.693 . . . . 0.0 110.126 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.08 -38.37 82.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.684 -0.635 . . . . 0.0 109.85 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.74 -46.32 81.45 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 122.211 1.005 . . . . 0.0 108.801 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 36.8 p -67.47 -33.87 76.01 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.638 -0.663 . . . . 0.0 110.517 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.479 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -53.94 -53.76 48.33 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.339 -0.851 . . . . 0.0 110.776 -175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.6 ppp? -60.07 -33.73 72.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.601 -1.312 . . . . 0.0 109.006 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.03 -35.4 81.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.548 -0.72 . . . . 0.0 110.242 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 21.7 p -73.52 -47.19 42.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 111.161 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 68.5 mt -58.32 -40.38 81.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.343 -0.848 . . . . 0.0 111.117 -178.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.409 HG22 HD12 ' B' ' 12' ' ' ILE . 42.5 mt -78.91 -28.64 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.078 -1.014 . . . . 0.0 111.134 -177.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.3 -39.96 88.79 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.586 -1.321 . . . . 0.0 109.496 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 m -80.27 -34.01 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.871 -0.518 . . . . 0.0 111.029 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 16.0 m-30 -60.0 -49.87 75.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.104 -0.997 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.498 ' C ' ' HD1' ' B' ' 16' ' ' HIS . 1.6 p80 -80.89 -20.35 42.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.956 -1.09 . . . . 0.0 112.131 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . 0.474 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -73.77 -60.25 2.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.441 -1.412 . . . . 0.0 112.053 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 2.0 p-80 -75.04 -38.6 61.38 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.139 -1.601 . . . . 0.0 110.781 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 8.2 m -61.39 -12.8 15.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.168 -0.958 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.45 15.73 62.63 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.489 1.476 0 O-C-N 121.113 -1.228 . . . . 0.0 108.509 178.332 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.555 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 16.9 p90 . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 121.867 0.841 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -140.91 142.46 34.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.502 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 5.4 tp -99.02 151.14 21.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.81 -1.182 . . . . 0.0 110.158 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 69.6 m -131.94 163.36 28.53 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.638 -0.664 . . . . 0.0 109.435 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -51.61 -44.58 62.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.055 -1.028 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.31 -26.73 62.06 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.464 -1.398 . . . . 0.0 110.705 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.531 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 99.1 mt-10 -75.82 -39.97 55.8 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.453 ' CD2' ' C ' ' B' ' 33' ' ' LEU . 1.7 tt -60.39 -45.17 94.5 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.305 0.574 . . . . 0.0 111.246 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -63.75 -40.01 95.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.465 -0.772 . . . . 0.0 112.25 -177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.49 -27.67 58.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.75 -1.218 . . . . 0.0 109.928 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.452 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 50.5 tp -67.99 -39.7 83.21 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 121.184 -0.947 . . . . 0.0 111.839 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.4 mt -83.63 -37.27 23.08 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.633 -1.292 . . . . 0.0 112.422 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.528 ' NE2' ' HG1' ' B' ' 39' ' ' THR . 1.1 pp0? -69.99 -33.02 71.51 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.687 -1.258 . . . . 0.0 109.774 -178.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.528 ' HG1' ' NE2' ' B' ' 38' ' ' GLN . 52.7 m -86.55 -65.38 1.02 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.423 -0.798 . . . . 0.0 112.013 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 57.1 mp0 -69.33 -55.63 9.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.341 -0.849 . . . . 0.0 111.785 -177.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -95.91 49.03 1.14 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.776 -1.203 . . . . 0.0 108.025 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 77.4 p -65.95 -17.82 64.92 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.233 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 92.8 p -89.35 -8.23 53.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.797 -1.189 . . . . 0.0 113.279 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -141.08 -59.54 0.5 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.317 -1.489 . . . . 0.0 111.185 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' B' ' 45' ' ' LEU . 2.6 mp -71.7 135.38 46.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.694 -1.253 . . . . 0.0 108.781 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.76 156.31 34.72 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 27.5 m -158.87 -34.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -73.91 -45.02 53.27 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.827 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -70.66 -34.81 72.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.658 -1.276 . . . . 0.0 109.686 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -108.57 97.82 7.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.463 -0.773 . . . . 0.0 110.262 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.16 71.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.233 -0.917 . . . . 0.0 108.985 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.64 -40.03 90.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.37 -0.831 . . . . 0.0 108.962 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.38 88.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.693 -0.629 . . . . 0.0 111.245 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.15 -52.7 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 111.927 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.96 -40.02 87.62 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 120.805 -1.184 . . . . 0.0 110.273 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.11 -39.16 79.11 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.03 -1.044 . . . . 0.0 112.388 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -81.93 -52.11 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 120.184 -1.572 . . . . 0.0 109.775 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 7.2 tpt -59.9 -49.54 77.31 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.087 -1.008 . . . . 0.0 112.033 -177.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -70.66 -36.63 73.45 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.482 -1.386 . . . . 0.0 109.901 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.45 -16.03 35.99 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.462 -0.774 . . . . 0.0 110.055 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.57 ' C ' ' H ' ' B' ' 63' ' ' GLU . 63.7 tp -83.23 -14.14 53.86 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' B' ' 65' ' ' GLY . 14.5 m-20 -92.6 41.88 1.09 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.57 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.0 tp10 -42.16 -23.21 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 111.934 -2.394 . . . . 0.0 110.273 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -86.03 -11.25 53.38 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.793 -1.192 . . . . 0.0 108.131 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 90.25 31.61 10.51 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.642 ' C ' ' H ' ' B' ' 68' ' ' GLU . 16.8 p-10 -109.87 114.02 27.23 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.76 9.47 0.06 OUTLIER Glycine 0 N--CA 1.491 2.302 0 O-C-N 119.449 -2.032 . . . . 0.0 110.448 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.642 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.9 mt-10 -117.9 139.16 51.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.68 130.35 61.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' B' ' 72' ' ' GLN . 66.2 t0 -87.69 126.62 35.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.829 -1.169 . . . . 0.0 108.973 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' B' ' 70' ' ' ASP . 44.4 m-85 -23.86 -38.65 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -60.28 -41.86 94.23 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.344 -1.472 . . . . 0.0 110.016 179.572 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 70' ' ' ASP . 98.7 mt-10 -70.84 -43.35 68.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.801 -1.187 . . . . 0.0 110.797 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.44 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 19.6 t80 -60.32 -50.7 72.6 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 9.8 p -59.97 -39.98 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 CA-C-O 121.033 0.444 . . . . 0.0 111.676 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.421 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 25.1 t -61.53 -59.21 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.029 -1.044 . . . . 0.0 111.395 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.71 -50.76 61.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.655 -1.278 . . . . 0.0 112.691 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 17.6 m -60.08 -39.34 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.141 -0.974 . . . . 0.0 112.428 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.425 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -70.06 -26.13 63.87 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.339 -0.851 . . . . 0.0 110.519 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.53 87.02 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.97 -38.82 83.62 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.325 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -60.16 -52.73 64.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.84 -1.163 . . . . 0.0 110.881 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -39.25 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.14 -0.975 . . . . 0.0 110.761 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.02 88.48 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.471 0.653 . . . . 0.0 110.497 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.291 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.19 -39.94 88.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.451 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.498 1.949 0 O-C-N 120.934 -1.104 . . . . 0.0 110.757 -179.306 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . 0.44 ' O ' ' OG ' ' C' ' 10' ' ' SER . 56.1 m80 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -60.01 -49.05 79.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.98 -48.66 75.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.727 -0.608 . . . . 0.0 110.614 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -69.39 -38.81 78.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.884 -1.135 . . . . 0.0 109.545 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' C' ' 6' ' ' HIS . 19.5 p . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . 0.432 ' O ' ' OG ' ' D' ' 10' ' ' SER . 56.8 m80 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.0 -48.93 79.7 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.84 -48.86 75.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.634 -0.667 . . . . 0.0 110.631 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.28 -38.84 78.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 109.568 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' D' ' 6' ' ' HIS . 20.5 p . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.127 -0.983 . . . . 0.0 110.491 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 52.2 mp0 -59.87 -52.32 65.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.12 -36.64 77.91 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.176 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -56.43 -49.13 75.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.046 -1.034 . . . . 0.0 108.847 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.4 p -64.02 -32.96 74.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.71 -0.619 . . . . 0.0 110.865 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.98 -49.19 76.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.249 -0.907 . . . . 0.0 110.719 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ttt -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.715 -1.24 . . . . 0.0 109.225 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.2 mm-40 -61.09 -39.8 91.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.715 . . . . 0.0 110.314 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 11.4 p -69.2 -45.86 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.658 -0.651 . . . . 0.0 111.355 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.07 -40.89 91.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.311 -0.868 . . . . 0.0 111.215 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mt -81.97 -36.57 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.359 -0.838 . . . . 0.0 112.487 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 16.0 m120 -60.13 -39.92 87.97 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.362 -1.461 . . . . 0.0 109.189 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 p -80.03 -32.75 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.81 -0.556 . . . . 0.0 110.571 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -60.04 -56.25 23.99 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.093 -1.004 . . . . 0.0 111.232 -179.289 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.01 -23.51 63.14 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.818 -0.551 . . . . 0.0 111.1 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.24 -60.28 2.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.77 -1.206 . . . . 0.0 110.834 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' NE2' ' OE2' ' A' ' 40' ' ' GLU . 56.4 m-70 -70.56 -40.08 73.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.403 -1.435 . . . . 0.0 111.521 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 51.2 m -64.88 -12.04 44.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.993 -1.067 . . . . 0.0 110.256 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.27 12.96 60.25 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.252 -1.146 . . . . 0.0 108.973 178.992 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CE1' ' CZ ' ' A' ' 71' ' ' PHE . 26.4 t80 . . . . . 0 N--CA 1.5 2.07 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 140.44 36.16 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.6 mm? -98.41 152.4 19.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.68 -1.263 . . . . 0.0 110.779 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.43 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.1 p -126.41 161.66 27.36 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -46.57 -44.09 17.72 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.001 -1.062 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -69.95 -29.56 66.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.009 -1.057 . . . . 0.0 111.749 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.43 ' HB2' ' H ' ' A' ' 29' ' ' SER . 47.6 mt-10 -76.59 -35.51 58.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.629 -1.294 . . . . 0.0 107.678 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 47.1 tp -59.95 -49.55 77.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.671 -0.643 . . . . 0.0 110.793 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.26 -35.68 72.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.121 -0.987 . . . . 0.0 110.253 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 48.4 t0 -70.0 -28.8 65.81 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.266 -0.896 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.93 -43.11 84.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.118 -0.989 . . . . 0.0 112.675 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.563 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -87.56 -32.01 19.58 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 120.519 -1.363 . . . . 0.0 113.293 -177.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.2 pt20 -77.65 -39.98 43.23 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.643 -1.286 . . . . 0.0 111.693 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 27.1 m -85.54 -50.53 7.18 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.302 -0.874 . . . . 0.0 112.375 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' A' ' 18' ' ' HIS . 71.3 mm-40 -87.18 -49.73 7.09 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.17 35.74 0.99 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.726 -1.234 . . . . 0.0 111.394 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 43' ' ' SER . 47.5 t -50.02 132.24 23.12 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.6 t 154.33 -41.89 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 118.89 0.768 . . . . 0.0 110.608 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -164.0 -40.77 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.777 -1.202 . . . . 0.0 110.849 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 4.0 mm? -56.9 129.51 41.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.534 -1.266 . . . . 0.0 107.716 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -118.09 146.87 43.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.844 -1.16 . . . . 0.0 108.622 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 4.7 m -152.47 -37.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.441 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 26.8 mt-30 -70.05 -60.26 2.4 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.04 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -70.37 -32.7 70.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.846 -1.159 . . . . 0.0 110.454 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.56 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 12.1 p-10 -88.41 84.28 6.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.457 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.06 94.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.661 -0.649 . . . . 0.0 109.862 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.99 87.74 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 109.09 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.22 91.86 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.419 -0.8 . . . . 0.0 111.453 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.68 -56.25 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.956 -1.09 . . . . 0.0 111.529 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.313 -1.492 . . . . 0.0 111.401 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.04 -39.92 75.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 112.468 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -78.23 -50.04 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.862 -1.149 . . . . 0.0 110.396 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.6 tpt -61.84 -43.43 98.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.436 -0.79 . . . . 0.0 111.524 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.78 -35.22 72.49 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.949 -1.094 . . . . 0.0 110.341 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -93.01 -27.05 17.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 0.0 109.97 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.65 ' C ' ' H ' ' A' ' 63' ' ' GLU . 39.4 tp -71.11 -35.08 71.66 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 65' ' ' GLY . 18.7 t0 -76.91 57.05 1.27 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 103.617 -2.734 . . . . 0.0 103.617 174.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.65 ' H ' ' C ' ' A' ' 61' ' ' LEU . 21.9 pt-20 -50.03 -19.91 0.83 Allowed 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 111.241 -2.709 . . . . 0.0 110.438 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -85.49 2.32 45.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.37 37.08 86.64 Favored Glycine 0 N--CA 1.497 2.703 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.22 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.456 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 4.0 p-10 -100.89 -10.61 20.5 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.756 -1.438 . . . . 0.0 110.425 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.77 -5.68 73.81 Favored Glycine 0 N--CA 1.499 2.866 0 O-C-N 120.576 -1.328 . . . . 0.0 110.25 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 97.9 mt-10 -119.99 143.99 47.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.15 133.13 47.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 O-C-N 121.107 -0.995 . . . . 0.0 111.211 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.8 t0 -78.73 154.38 30.09 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CZ ' ' CE1' ' A' ' 26' ' ' TYR . 13.0 m-85 -59.6 -39.22 83.49 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.972 -1.08 . . . . 0.0 108.673 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -40.05 87.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.16 -0.963 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -68.21 -40.05 82.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.512 -1.368 . . . . 0.0 110.554 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.4 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 44.2 t80 -64.41 -53.3 50.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.593 -0.692 . . . . 0.0 112.432 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.32 -32.01 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.87 -0.518 . . . . 0.0 111.65 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.03 -58.15 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.145 -0.972 . . . . 0.0 111.749 -178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tt -67.39 -43.3 81.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.915 -1.116 . . . . 0.0 112.551 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.402 ' CG2' ' N ' ' A' ' 79' ' ' ALA . 29.7 m -64.21 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 120.954 -1.091 . . . . 0.0 111.367 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -78.57 -27.14 45.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.154 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -24.97 65.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.018 -1.051 . . . . 0.0 109.665 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.0 mt -92.31 -38.67 11.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.239 -0.913 . . . . 0.0 109.775 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.5 t -61.6 -47.04 87.25 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.02 -1.05 . . . . 0.0 110.095 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 82' ' ' THR . 8.5 p -76.91 -40.71 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 110.563 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -60.06 -33.25 71.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 109.975 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.4 t -67.55 -39.93 84.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 109.671 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.04 -40.15 92.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.17 -0.957 . . . . 0.0 110.648 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.9 t30 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.073 -1.017 . . . . 0.0 111.074 -179.185 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.498 1.967 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 51.7 mp0 -60.01 -52.24 66.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.352 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.05 -36.85 78.23 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.536 -0.727 . . . . 0.0 110.238 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.35 -48.91 75.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.038 -1.039 . . . . 0.0 108.954 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 22.8 p -64.3 -31.74 73.06 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 110.736 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.475 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.35 -48.38 80.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.211 -0.931 . . . . 0.0 110.568 -176.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.045 -1.034 . . . . 0.0 109.119 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.0 mm-40 -61.09 -39.96 91.89 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.595 0.712 . . . . 0.0 110.275 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 10.8 p -68.94 -45.99 69.38 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.599 -0.688 . . . . 0.0 111.341 -177.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.03 -41.12 91.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.387 -0.821 . . . . 0.0 111.318 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mt -81.28 -37.39 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 112.353 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.8 m120 -59.93 -40.08 87.72 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.324 -1.485 . . . . 0.0 109.178 -178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.69 -32.88 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.793 -0.567 . . . . 0.0 110.565 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.457 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -59.88 -56.28 23.66 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.016 -1.053 . . . . 0.0 111.345 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -69.94 -23.34 63.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.818 -0.551 . . . . 0.0 111.174 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 -60.11 2.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.732 -1.23 . . . . 0.0 110.802 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.517 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 55.8 m-70 -70.59 -40.04 73.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.429 -1.419 . . . . 0.0 111.56 -178.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.425 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 51.6 m -64.98 -11.87 43.65 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.068 -1.02 . . . . 0.0 110.283 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.4 12.55 59.99 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp . . . . . 0 N--CA 1.488 1.467 0 O-C-N 121.211 -1.17 . . . . 0.0 109.047 179.116 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.609 ' CE1' ' CZ ' ' B' ' 71' ' ' PHE . 26.8 t80 . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.107 0.48 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 140.58 36.37 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 105.963 -1.865 . . . . 0.0 105.963 175.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.6 mm? -98.61 152.22 19.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.764 -1.21 . . . . 0.0 110.863 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 78.6 p -126.23 161.31 28.03 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.973 -1.079 . . . . 0.0 110.513 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.03 -28.94 65.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.935 -1.103 . . . . 0.0 111.659 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.425 ' OE2' ' O ' ' B' ' 19' ' ' SER . 47.1 mt-10 -76.85 -35.44 57.49 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 118.339 -1.344 . . . . 0.0 107.666 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' B' ' 37' ' ' LEU . 50.6 tp -59.93 -49.69 76.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.731 -0.606 . . . . 0.0 110.885 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.18 -35.62 71.87 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.024 -1.047 . . . . 0.0 110.182 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 48.6 t0 -70.03 -28.78 65.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.89 -43.22 83.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.054 -1.029 . . . . 0.0 112.727 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.573 ' CD2' ' H ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -87.69 -30.85 20.07 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.646 -1.284 . . . . 0.0 113.405 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' B' ' 39' ' ' THR . 13.4 pt20 -78.61 -39.94 35.86 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.486 -1.384 . . . . 0.0 111.678 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 30.0 m -85.38 -50.45 7.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.366 -0.834 . . . . 0.0 112.241 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 71.1 mm-40 -87.47 -49.53 7.15 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -175.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.37 35.78 1.01 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.708 -1.245 . . . . 0.0 111.295 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 47.6 t -50.0 132.3 23.06 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 176.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.6 t 154.21 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 118.899 0.772 . . . . 0.0 110.561 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -164.21 -40.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.85 -1.156 . . . . 0.0 110.918 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 4.0 mm? -57.19 129.57 42.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.635 -1.291 . . . . 0.0 107.679 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -118.27 146.84 43.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.79 -1.194 . . . . 0.0 108.62 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 4.9 m -152.53 -37.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.46 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 26.8 mt-30 -70.02 -60.27 2.39 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.019 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -70.39 -32.7 70.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.812 -1.18 . . . . 0.0 110.541 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 11.3 p-10 -88.23 83.94 6.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 0.0 109.448 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.96 93.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.632 -0.667 . . . . 0.0 109.897 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.04 -40.0 87.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.256 -0.903 . . . . 0.0 109.026 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.47 83.74 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.425 -0.797 . . . . 0.0 111.955 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -56.06 11.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.78 -1.2 . . . . 0.0 111.446 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.35 -43.69 96.98 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.491 -1.381 . . . . 0.0 111.351 -176.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -70.02 -40.06 75.45 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.464 -0.772 . . . . 0.0 112.445 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.1 mt -78.04 -50.12 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.806 -1.183 . . . . 0.0 110.411 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 7.1 tpt -62.33 -42.97 99.82 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.319 -0.863 . . . . 0.0 111.43 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.91 -34.82 71.91 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.932 -1.105 . . . . 0.0 110.383 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -93.36 -27.14 16.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.15 -0.968 . . . . 0.0 109.912 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.619 ' C ' ' H ' ' B' ' 63' ' ' GLU . 39.7 tp -70.97 -35.14 72.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' B' ' 65' ' ' GLY . 18.2 t0 -76.89 56.98 1.25 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.619 ' H ' ' C ' ' B' ' 61' ' ' LEU . 21.9 pt-20 -49.93 -20.03 0.83 Allowed 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 111.229 -2.714 . . . . 0.0 110.45 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -85.22 1.8 46.59 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.69 34.78 83.56 Favored Glycine 0 N--CA 1.498 2.77 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.287 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.1 p-10 -99.33 -10.83 21.82 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.779 -1.424 . . . . 0.0 110.507 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.85 -5.58 74.69 Favored Glycine 0 N--CA 1.497 2.753 0 O-C-N 120.703 -1.248 . . . . 0.0 110.251 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.02 143.43 48.08 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.5 t -101.95 133.16 46.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 O-C-N 121.048 -1.033 . . . . 0.0 111.408 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.3 t0 -78.86 154.27 29.92 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CE1' ' B' ' 26' ' ' TYR . 12.8 m-85 -59.58 -39.15 83.18 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.12 -0.987 . . . . 0.0 108.67 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.21 -40.0 88.59 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.115 -0.991 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -68.32 -39.98 81.8 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.598 -1.314 . . . . 0.0 110.572 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.35 -53.67 45.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.576 -0.703 . . . . 0.0 112.236 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.03 -32.06 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.858 -0.527 . . . . 0.0 111.741 -177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.0 -58.19 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.081 -1.012 . . . . 0.0 111.784 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.1 -43.17 83.2 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.994 -1.066 . . . . 0.0 112.558 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' B' ' 79' ' ' ALA . 28.8 m -64.75 -38.16 81.98 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 O-C-N 120.858 -1.152 . . . . 0.0 111.402 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -78.61 -27.39 45.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.452 -0.78 . . . . 0.0 110.141 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.15 63.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.96 -1.087 . . . . 0.0 110.107 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.15 -39.2 10.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.369 -0.832 . . . . 0.0 109.454 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.5 t -61.47 -46.84 88.34 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.062 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' B' ' 82' ' ' THR . 7.7 p -77.04 -40.92 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.018 -1.051 . . . . 0.0 110.503 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.405 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -59.98 -33.36 71.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.248 -0.908 . . . . 0.0 110.048 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.36 -40.02 85.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.403 -0.81 . . . . 0.0 109.721 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -60.85 -40.12 91.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 110.656 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.029 -1.045 . . . . 0.0 111.151 -179.184 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . 0.425 ' O ' ' OG ' ' C' ' 10' ' ' SER . 81.3 t60 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.077 0.465 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.88 -49.91 75.86 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.61 -1.306 . . . . 0.0 111.262 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 50.7 tp -73.27 -53.54 10.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.981 -1.075 . . . . 0.0 111.627 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 2.6 mp -70.03 -40.02 75.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.993 -1.067 . . . . 0.0 111.774 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' C' ' 6' ' ' HIS . 24.0 p . . . . . 0 N--CA 1.497 1.876 0 O-C-N 120.402 -1.436 . . . . 0.0 109.662 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . 0.457 ' O ' ' OG ' ' D' ' 10' ' ' SER . 81.4 t60 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 120.995 0.426 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -60.04 -49.6 77.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.611 -1.306 . . . . 0.0 111.265 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 51.5 tp -73.39 -53.56 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.007 -1.058 . . . . 0.0 111.594 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . 0.544 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.7 mp -70.04 -40.0 75.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.946 -1.096 . . . . 0.0 111.781 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' D' ' 6' ' ' HIS . 23.4 p . . . . . 0 N--CA 1.494 1.774 0 O-C-N 120.33 -1.481 . . . . 0.0 109.579 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.499 1.976 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.77 -54.86 36.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 110.383 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -59.39 -40.06 85.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.374 -0.829 . . . . 0.0 110.585 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -42.48 66.4 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.54 -33.84 69.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.646 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.09 -52.8 59.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 109.761 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.403 ' CE ' HD22 ' B' ' 86' ' ' ASN . 27.4 ttt -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.262 -0.899 . . . . 0.0 111.009 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 74.8 mm-40 -62.18 -40.02 94.62 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.966 -1.084 . . . . 0.0 110.547 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.432 ' H ' ' HG1' ' A' ' 10' ' ' THR . 2.3 p -69.92 -44.63 69.23 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.661 0.743 . . . . 0.0 110.479 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 94.6 mt -60.03 -41.91 93.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.85 -0.531 . . . . 0.0 112.131 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mt -82.47 -26.48 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.904 -1.123 . . . . 0.0 111.289 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 -62.48 -40.01 95.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.453 -1.404 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 m -83.57 -35.13 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.788 -0.57 . . . . 0.0 111.275 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.1 m-30 -59.9 -52.62 64.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.883 -1.136 . . . . 0.0 110.73 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -77.27 -24.95 50.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.392 -0.817 . . . . 0.0 111.539 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.28 -60.46 2.22 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.49 -1.381 . . . . 0.0 110.816 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -70.41 -39.69 74.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.833 -1.167 . . . . 0.0 111.436 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 35.0 t -57.08 -18.36 14.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.071 -1.018 . . . . 0.0 110.833 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.99 20.06 9.97 Favored Glycine 0 N--CA 1.504 3.169 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.066 -1.256 . . . . 0.0 109.712 -179.42 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 25.6 p90 . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 122.46 1.124 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' A' ' 19' ' ' SER . 48.7 tptt -143.27 142.39 31.35 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 tp -94.05 148.18 22.42 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.606 ' HG ' ' N ' ' A' ' 30' ' ' LYS . 28.7 t -131.38 165.59 23.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.521 -0.737 . . . . 0.0 109.414 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.606 ' N ' ' HG ' ' A' ' 29' ' ' SER . 69.5 tttt -57.19 -41.11 78.71 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.726 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -74.46 -32.05 62.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.507 -1.371 . . . . 0.0 109.937 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.414 ' HB2' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -75.61 -40.78 55.87 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 2.4 tt -59.99 -45.81 91.5 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.583 0.706 . . . . 0.0 111.364 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -62.56 -44.41 96.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.546 -0.721 . . . . 0.0 112.266 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 56.9 t0 -72.13 -28.77 63.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.358 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.9 tp -62.03 -39.98 94.16 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.548 -0.72 . . . . 0.0 111.513 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.89 -35.26 22.28 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.674 -1.266 . . . . 0.0 113.648 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.487 ' CD ' ' NE2' ' A' ' 48' ' ' GLN . 3.5 pt20 -70.03 -40.05 75.4 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.394 -1.441 . . . . 0.0 110.998 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 69.1 m -78.04 -58.07 3.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.478 -177.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.515 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 57.4 mp0 -73.46 -51.24 17.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.295 -0.878 . . . . 0.0 111.089 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -101.8 66.22 1.04 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.081 -1.012 . . . . 0.0 108.712 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.9 t -79.82 -20.85 45.13 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -103.03 -5.22 23.58 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 120.699 -1.251 . . . . 0.0 112.845 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.09 -93.41 0.47 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.629 -1.294 . . . . 0.0 110.073 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.04 130.6 47.53 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.192 -0.943 . . . . 0.0 108.521 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.83 166.88 14.85 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 7.5 m -154.82 -38.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' NE2' ' CD ' ' A' ' 38' ' ' GLN . 97.9 mt-30 -70.13 -35.98 74.46 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.663 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' NZ ' ' OD2' ' A' ' 50' ' ' ASP . 18.9 pttp -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.533 -1.354 . . . . 0.0 110.724 -177.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 86.5 m-20 -123.67 120.31 32.37 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.397 -0.814 . . . . 0.0 110.18 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.89 -32.25 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 3.3 p30 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.96 -39.95 94.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.283 -0.886 . . . . 0.0 110.836 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 54.6 t -69.99 -56.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.309 -0.87 . . . . 0.0 112.281 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 65.8 t0 -64.74 -41.51 95.89 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 120.661 -1.274 . . . . 0.0 111.311 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.01 -38.77 76.05 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.905 -1.122 . . . . 0.0 111.639 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 88.7 mt -76.28 -53.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.181 -0.949 . . . . 0.0 110.288 -178.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -44.46 96.85 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 112.665 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -70.03 -37.71 75.66 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.642 -1.286 . . . . 0.0 109.895 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -86.94 -15.96 37.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.047 -1.033 . . . . 0.0 108.904 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' A' ' 63' ' ' GLU . 54.0 tp -89.88 -15.61 31.81 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 10.2 t70 -92.13 51.14 1.75 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 102.695 -3.076 . . . . 0.0 102.695 174.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.563 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.2 tt0 -49.42 -26.03 2.98 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 110.472 -3.058 . . . . 0.0 111.032 -177.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -82.44 -2.36 52.96 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.34 32.35 83.89 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.108 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 15.6 p-10 -99.02 -11.91 21.07 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.845 -1.385 . . . . 0.0 109.785 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.518 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.92 -11.63 46.87 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.816 -1.177 . . . . 0.0 110.549 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 96.9 mt-10 -126.91 141.2 51.87 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.453 ' CG1' ' H ' ' A' ' 71' ' ' PHE . 53.3 t -102.27 143.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.605 -0.684 . . . . 0.0 109.962 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 48.7 t0 -90.68 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 70' ' ' ASP . 38.3 m-85 101.92 -25.27 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.25 -40.14 74.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.576 -1.327 . . . . 0.0 108.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -72.09 -41.52 67.2 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.703 0.763 . . . . 0.0 110.703 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.458 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 35.6 t80 -65.74 -51.6 57.92 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.581 -0.7 . . . . 0.0 112.442 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 76' ' ' VAL . 7.9 p -60.22 -39.92 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.821 -0.549 . . . . 0.0 112.203 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . 0.412 ' N ' ' CG1' ' A' ' 75' ' ' VAL . 42.5 t -66.18 -59.16 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.33 -0.857 . . . . 0.0 111.849 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 tp -66.51 -42.69 86.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.037 -1.039 . . . . 0.0 113.172 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' ' N ' ' A' ' 79' ' ' ALA . 17.4 m -64.24 -39.96 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -0.962 . . . . 0.0 111.663 -177.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -71.8 -28.94 63.94 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.467 -0.771 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.23 -26.81 66.71 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.466 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 84.9 mt -87.86 -23.01 24.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.235 -0.915 . . . . 0.0 108.787 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -65.82 -53.89 34.1 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.99 -1.084 . . . . 0.0 109.663 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.35 -40.29 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.404 -0.81 . . . . 0.0 110.619 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.459 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 90.5 m -65.31 -39.99 93.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.339 -0.851 . . . . 0.0 109.574 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.481 HD22 ' CE ' ' B' ' 8' ' ' MET . 98.5 m-20 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.27 -0.894 . . . . 0.0 110.614 -179.044 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.61 -54.74 38.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.416 -0.802 . . . . 0.0 110.4 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.83 -39.98 86.96 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.263 -0.898 . . . . 0.0 110.37 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -52.94 -43.06 66.02 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -32.63 69.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.461 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.438 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -55.79 -51.82 66.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.841 -1.162 . . . . 0.0 109.532 -176.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.481 ' CE ' HD22 ' A' ' 86' ' ' ASN . 27.4 ttt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.58 -0.7 . . . . 0.0 110.928 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.505 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.8 mm-40 -62.24 -40.07 94.92 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.917 -1.115 . . . . 0.0 110.446 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 2.8 p -69.96 -44.61 69.16 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.577 0.703 . . . . 0.0 110.407 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.0 mt -60.03 -41.63 92.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.855 -0.528 . . . . 0.0 112.165 -178.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.92 -28.92 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.746 -1.221 . . . . 0.0 110.963 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.2 m-20 -60.33 -40.05 89.24 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.66 -1.275 . . . . 0.0 109.904 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 m -84.14 -34.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.2 m-30 -59.94 -52.28 66.08 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.011 -1.055 . . . . 0.0 110.709 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -77.56 -24.66 49.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.383 -0.823 . . . . 0.0 111.551 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.59 -60.77 2.07 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.559 -1.338 . . . . 0.0 110.708 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -70.1 -39.78 75.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.746 -1.221 . . . . 0.0 111.412 -178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 34.8 t -56.88 -18.42 13.08 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.026 -1.046 . . . . 0.0 110.859 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.01 19.79 10.04 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.128 -1.219 . . . . 0.0 109.839 -179.387 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 24.9 p90 . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 122.386 1.089 . . . . 0.0 109.727 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' B' ' 19' ' ' SER . 49.2 tptt -143.34 142.41 31.29 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -93.99 148.2 22.39 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 29.2 t -131.93 164.39 26.23 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.576 -0.702 . . . . 0.0 109.47 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -56.1 -41.14 74.76 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.704 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.16 -31.24 60.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.431 -1.418 . . . . 0.0 109.763 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.406 ' HB2' ' H ' ' B' ' 29' ' ' SER . 99.3 mt-10 -75.7 -40.66 55.37 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.455 ' CD2' ' C ' ' B' ' 33' ' ' LEU . 2.4 tt -60.01 -46.2 90.28 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.609 0.719 . . . . 0.0 111.272 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -62.01 -44.67 96.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 112.282 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.8 t0 -72.18 -28.55 63.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.983 -1.073 . . . . 0.0 109.38 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.457 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.6 tp -62.13 -40.02 94.52 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 111.577 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.74 -35.89 22.15 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.676 -1.265 . . . . 0.0 113.53 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.47 ' CD ' ' NE2' ' B' ' 48' ' ' GLN . 3.5 pt20 -69.54 -39.97 77.16 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.368 -1.458 . . . . 0.0 111.058 -177.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 63.4 m -78.06 -58.29 3.34 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.409 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 57.7 mp0 -73.43 -51.1 18.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 111.126 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mt -101.88 66.27 1.03 Allowed 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.083 -1.01 . . . . 0.0 108.66 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -79.98 -20.52 45.33 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -103.36 -4.65 23.88 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.749 -1.219 . . . . 0.0 112.864 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.47 -93.43 0.47 Allowed 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.803 -1.186 . . . . 0.0 110.012 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.1 130.81 48.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.04 166.83 15.07 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 6.6 m -154.87 -38.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 97.8 mt-30 -70.07 -36.13 74.72 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.73 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.495 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 18.8 pttp -59.8 -39.95 86.69 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.558 -1.339 . . . . 0.0 110.707 -177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.495 ' OD2' ' NZ ' ' B' ' 49' ' ' LYS . 86.7 m-20 -123.8 120.09 31.63 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.308 -0.87 . . . . 0.0 110.246 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.8 71.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 3.3 p30 -62.22 -34.21 76.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.2 -37.11 84.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.458 -0.776 . . . . 0.0 111.156 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 56.7 t -72.25 -56.5 9.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 O-C-N 121.193 -0.942 . . . . 0.0 112.201 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.75 -41.49 95.88 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.817 -1.177 . . . . 0.0 111.278 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.05 -38.77 75.89 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.026 -1.046 . . . . 0.0 111.543 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' B' ' 61' ' ' LEU . 88.7 mt -76.35 -53.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -45.08 96.17 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.0 -37.64 75.74 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.728 -1.232 . . . . 0.0 109.968 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -86.89 -16.0 37.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 108.908 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' GLU . 55.1 tp -89.91 -15.52 31.92 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 10.2 t70 -92.16 51.19 1.75 Allowed 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 102.661 -3.089 . . . . 0.0 102.661 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.0 tt0 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 110.393 -3.094 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -82.37 -2.63 53.55 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.32 32.27 83.65 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.078 177.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 16.4 p-10 -98.72 -12.0 21.4 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.79 -1.418 . . . . 0.0 109.678 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.524 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.83 -11.54 46.73 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.406 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.5 mt-10 -126.44 142.47 51.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.452 ' CG1' ' H ' ' B' ' 71' ' ' PHE . 53.8 t -103.06 144.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.432 -0.793 . . . . 0.0 109.848 -178.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 48.8 t0 -90.65 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.071 -1.018 . . . . 0.0 109.912 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' B' ' 70' ' ' ASP . 38.0 m-85 101.81 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.18 -40.15 74.82 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.601 -1.312 . . . . 0.0 108.682 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.08 -41.38 67.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.486 -0.759 . . . . 0.0 110.725 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.452 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 36.6 t80 -65.89 -51.84 55.27 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.611 -0.681 . . . . 0.0 112.364 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 7.9 p -59.96 -40.09 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.888 -0.508 . . . . 0.0 112.137 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . 0.402 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 41.4 t -66.1 -59.33 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.219 -0.925 . . . . 0.0 111.834 -177.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.23 -42.82 88.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.065 -1.022 . . . . 0.0 113.124 -175.747 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.454 ' CG2' ' N ' ' B' ' 79' ' ' ALA . 17.0 m -64.3 -39.67 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.033 -1.042 . . . . 0.0 111.596 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -71.96 -29.14 63.96 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.492 -0.755 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -20.96 64.58 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.475 -0.766 . . . . 0.0 108.948 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 89.8 mt -92.72 -22.85 19.15 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.11 -53.48 37.42 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.918 -1.113 . . . . 0.0 109.604 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.69 -40.36 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.251 -0.905 . . . . 0.0 110.705 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.46 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 93.8 m -65.26 -39.98 93.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.494 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.403 HD22 ' CE ' ' A' ' 8' ' ' MET . 98.6 m-20 -60.12 -39.96 88.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -0.88 . . . . 0.0 109.723 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.142 -0.974 . . . . 0.0 110.664 -179.161 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . 0.422 ' O ' ' OG ' ' C' ' 10' ' ' SER . 35.6 m170 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -55.45 32.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 110.617 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -70.68 -41.89 71.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.675 -1.265 . . . . 0.0 110.786 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -40.85 96.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.955 . . . . 0.0 109.146 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' C' ' 6' ' ' HIS . 53.9 m . . . . . 0 C--N 1.3 -1.576 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . 0.423 ' O ' ' OG ' ' D' ' 10' ' ' SER . 35.3 m170 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -54.91 39.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 tp -71.21 -42.53 68.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.618 -1.301 . . . . 0.0 110.393 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.49 -41.08 98.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.101 -0.999 . . . . 0.0 109.147 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' D' ' 6' ' ' HIS . 56.5 m . . . . . 0 C--N 1.302 -1.486 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.4 mt-10 -70.12 -56.77 6.04 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 7' ' ' ALA . 5.3 tt -46.85 -34.04 5.02 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.123 -1.611 . . . . 0.0 110.346 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -47.26 -42.78 21.25 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.313 1.054 . . . . 0.0 108.191 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 68.2 p -60.06 -36.15 76.71 Favored 'General case' 0 C--O 1.199 -1.561 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -50.42 -54.25 23.33 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.501 -0.75 . . . . 0.0 111.472 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.1 -48.12 83.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.558 -1.339 . . . . 0.0 112.171 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.0 -26.86 63.32 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.714 -1.241 . . . . 0.0 114.021 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.497 ' HG1' ' C ' ' B' ' 3' ' ' GLU . 4.3 t -77.82 -49.16 14.85 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.082 -1.636 . . . . 0.0 111.395 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.4 -34.35 74.36 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.046 -1.034 . . . . 0.0 111.777 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -76.31 -30.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.419 -1.426 . . . . 0.0 110.632 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -62.48 -40.1 95.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.29 -1.506 . . . . 0.0 109.196 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 19.7 m -76.47 -31.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.617 0.723 . . . . 0.0 109.642 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -59.96 -49.83 76.15 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.817 0.818 . . . . 0.0 110.463 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -78.37 -22.66 47.57 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.762 -0.586 . . . . 0.0 111.277 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.92 2.56 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.559 -1.338 . . . . 0.0 111.189 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.96 -40.02 83.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.545 -1.347 . . . . 0.0 110.185 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -64.74 -13.86 56.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 0.0 110.802 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 12.85 60.63 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm . . . . . 0 C--N 1.306 -1.288 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 40.7 p90 . . . . . 0 N--CA 1.5 2.034 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -141.19 140.14 33.96 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.26 157.27 16.04 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.593 -1.317 . . . . 0.0 111.151 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 96.2 p -125.03 159.91 30.23 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.553 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 79.0 tttt -43.84 -39.59 3.95 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.952 -1.092 . . . . 0.0 111.734 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.34 -25.17 36.61 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.775 -1.203 . . . . 0.0 112.776 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 29' ' ' SER . 41.0 mt-10 -77.34 -39.98 45.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.47 -1.394 . . . . 0.0 110.681 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.19 -36.88 61.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.444 -0.785 . . . . 0.0 110.162 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.94 -40.4 88.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 0.0 110.664 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.89 -25.58 59.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.138 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.08 -38.46 72.43 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.924 -1.11 . . . . 0.0 112.251 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.11 -39.99 39.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.69 -1.256 . . . . 0.0 111.269 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.501 ' NE2' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -66.42 -37.55 85.46 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.823 -1.173 . . . . 0.0 109.339 -179.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.2 m -76.77 -52.83 8.84 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.746 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' OE2' ' CG2' ' A' ' 14' ' ' VAL . 97.3 mt-10 -69.78 -47.29 63.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.702 -0.624 . . . . 0.0 111.953 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.59 68.3 0.66 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.118 -0.989 . . . . 0.0 110.144 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.5 t -76.98 138.72 39.81 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER 78.61 -8.08 1.7 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.503 -0.748 . . . . 0.0 110.716 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -113.66 -85.58 0.59 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.4 136.7 39.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -118.6 151.2 38.36 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.885 -1.134 . . . . 0.0 108.627 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.457 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 3.2 m -152.61 -38.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 25.5 mt-30 -74.11 -40.27 62.8 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.155 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -64.67 -45.7 85.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.163 -0.961 . . . . 0.0 110.771 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -107.64 110.56 22.46 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.716 0.769 . . . . 0.0 110.751 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.45 69.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 17.2 p-10 -67.8 -23.9 65.24 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.91 -39.94 65.92 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.172 -0.955 . . . . 0.0 110.543 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 12.6 t -69.72 -52.62 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.446 -0.784 . . . . 0.0 111.479 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.553 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.0 m-20 -59.89 -39.89 86.88 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 120.669 -1.269 . . . . 0.0 110.42 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -39.33 75.5 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.054 -1.029 . . . . 0.0 112.101 -177.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -81.54 -52.87 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.219 -1.55 . . . . 0.0 109.842 -179.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 tmt? -60.27 -47.92 83.93 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.482 -0.761 . . . . 0.0 112.349 -177.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.51 -36.59 79.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.43 -1.419 . . . . 0.0 109.831 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.09 -16.65 32.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.021 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 57' ' ' ILE . 60.2 tp -86.64 -12.98 46.92 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 65' ' ' GLY . 41.6 t0 -98.59 43.62 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 173.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 61' ' ' LEU . 48.3 tp10 -37.57 -19.41 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 110.512 -3.04 . . . . 0.0 110.817 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 62' ' ' ASP . 20.5 m120 -85.61 0.12 53.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.615 -1.303 . . . . 0.0 107.943 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.01 38.11 94.99 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 121.179 -0.534 . . . . 0.0 111.839 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.9 p30 -102.13 -9.74 20.26 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.401 . . . . 0.0 110.719 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 83.06 -9.28 60.88 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 120.581 -1.324 . . . . 0.0 110.761 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 65.1 mt-10 -118.91 144.4 46.44 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.0 t -106.97 134.16 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.058 -1.027 . . . . 0.0 111.12 -177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 14.5 t70 -84.78 160.39 20.26 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 50.6 p90 -60.43 -39.63 88.17 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.024 -1.048 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.48 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.2 tt0 -61.15 -40.01 92.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.504 -1.372 . . . . 0.0 110.473 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.717 -1.24 . . . . 0.0 111.362 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -67.1 -49.6 64.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.011 -1.056 . . . . 0.0 111.396 -178.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.604 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 8.4 p -59.91 -37.38 71.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 121.198 -0.939 . . . . 0.0 111.984 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.89 -60.8 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.722 -1.236 . . . . 0.0 111.466 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.65 -48.92 70.53 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.919 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.17 -39.81 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 O-C-N 121.306 -0.872 . . . . 0.0 111.542 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.69 -24.5 63.6 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.282 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.79 59.37 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.326 -0.859 . . . . 0.0 110.591 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.402 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 50.3 mt -90.93 -47.01 7.84 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.912 -1.117 . . . . 0.0 111.075 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.464 ' HG1' ' CE ' ' B' ' 8' ' ' MET . 6.4 t -60.56 -47.84 84.41 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.103 -0.998 . . . . 0.0 110.186 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 9.2 p -67.07 -39.93 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.093 -1.004 . . . . 0.0 109.541 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.434 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.59 -23.92 66.95 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.682 -0.636 . . . . 0.0 109.864 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 93.4 m -70.05 -40.05 75.35 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.994 -1.066 . . . . 0.0 109.965 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -62.39 -40.24 95.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 110.371 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.098 -1.001 . . . . 0.0 110.441 -179.263 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 121.452 0.644 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.497 ' C ' ' HG1' ' A' ' 10' ' ' THR . 98.5 mt-10 -70.07 -56.53 6.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.084 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' B' ' 7' ' ' ALA . 5.7 tt -47.36 -33.81 6.25 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.1 -1.625 . . . . 0.0 110.262 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -47.06 -42.9 19.49 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 122.503 1.144 . . . . 0.0 108.196 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 66.5 p -60.03 -35.07 74.3 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 4' ' ' LEU . . . -51.28 -53.69 33.26 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.101 0.953 . . . . 0.0 111.464 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.464 ' CE ' ' HG1' ' A' ' 82' ' ' THR . 1.1 tpt -60.24 -48.82 80.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.879 -1.138 . . . . 0.0 111.958 -177.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.58 -27.26 63.98 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.772 -1.205 . . . . 0.0 114.079 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -77.53 -49.62 14.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 119.935 -1.728 . . . . 0.0 111.172 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.74 -34.74 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.049 -1.032 . . . . 0.0 111.858 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.03 -33.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.201 -1.562 . . . . 0.0 110.347 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.02 -40.13 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.601 -1.312 . . . . 0.0 109.031 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . 0.435 ' CG2' ' OE2' ' B' ' 40' ' ' GLU . 16.9 m -76.92 -31.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 CA-C-O 121.739 0.781 . . . . 0.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.2 -49.71 76.53 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.715 0.769 . . . . 0.0 110.434 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -78.54 -22.22 47.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.726 -0.608 . . . . 0.0 111.376 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -59.9 2.58 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.673 -1.267 . . . . 0.0 111.217 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.603 -1.311 . . . . 0.0 110.361 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.2 p -64.92 -13.55 57.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.655 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.88 12.35 60.84 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.086 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 39.0 p90 . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -142.04 140.32 32.58 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.27 157.19 16.09 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.684 -1.26 . . . . 0.0 111.132 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 88.6 p -125.05 159.76 30.61 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . 0.549 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 78.3 tttt -43.77 -39.75 3.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.907 -1.121 . . . . 0.0 111.74 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -80.48 -25.38 38.84 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.805 -1.185 . . . . 0.0 112.666 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.445 ' HB2' ' H ' ' B' ' 29' ' ' SER . 41.1 mt-10 -77.52 -40.01 44.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.512 -1.367 . . . . 0.0 110.871 -178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -75.28 -36.93 61.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.9 -40.23 88.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.065 -1.022 . . . . 0.0 110.752 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.97 -25.29 58.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.814 -1.179 . . . . 0.0 110.286 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 14.3 mt -71.44 -38.12 71.37 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.918 -1.114 . . . . 0.0 112.31 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.26 -41.02 35.33 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.591 -1.318 . . . . 0.0 110.934 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.496 ' NE2' ' C ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -64.85 -37.81 88.87 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.992 -1.067 . . . . 0.0 109.273 -179.188 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.92 -52.89 8.62 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.692 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.435 ' OE2' ' CG2' ' B' ' 14' ' ' VAL . 97.2 mt-10 -69.93 -47.02 64.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.689 -0.632 . . . . 0.0 111.992 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mt -111.64 68.02 0.66 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.209 -0.932 . . . . 0.0 110.111 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' B' ' 43' ' ' SER . 44.9 t -76.7 138.39 39.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 78.93 -7.78 1.73 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.429 -0.794 . . . . 0.0 110.809 178.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -113.99 -85.91 0.59 Allowed 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.06 137.09 39.96 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 106.959 -1.496 . . . . 0.0 106.959 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -118.7 151.27 38.28 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.001 -1.062 . . . . 0.0 108.612 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.441 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 3.1 m -152.41 -39.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.431 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 26.1 mt-30 -73.94 -40.09 63.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.4 -46.03 85.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.052 -1.03 . . . . 0.0 110.759 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -107.65 110.08 21.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 0.0 110.777 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.13 69.98 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 17.1 p-10 -67.62 -24.4 65.46 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.199 -0.938 . . . . 0.0 108.656 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -39.68 66.87 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.305 -0.872 . . . . 0.0 110.735 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 17.1 t -70.07 -52.75 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.358 -0.839 . . . . 0.0 111.426 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.549 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 98.1 m-20 -59.98 -39.96 87.47 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.833 -1.167 . . . . 0.0 110.378 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -39.66 75.7 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.838 -1.164 . . . . 0.0 112.199 -177.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.1 pp -80.61 -53.39 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 120.012 -1.68 . . . . 0.0 109.765 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.467 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 tmt? -60.21 -47.56 85.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.518 -0.739 . . . . 0.0 112.526 -176.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.48 -36.42 78.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.472 -1.393 . . . . 0.0 109.753 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -88.62 -16.6 32.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.061 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.554 ' C ' ' H ' ' B' ' 63' ' ' GLU . 64.3 tp -86.49 -12.86 47.72 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 65' ' ' GLY . 42.0 t0 -98.47 43.72 1.05 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 173.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.554 ' H ' ' C ' ' B' ' 61' ' ' LEU . 48.7 tp10 -37.21 -19.85 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 110.478 -3.055 . . . . 0.0 110.839 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' B' ' 62' ' ' ASP . 20.4 m120 -85.43 -0.02 53.62 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.562 -1.336 . . . . 0.0 108.012 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.88 37.78 94.29 Favored Glycine 0 N--CA 1.492 2.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.858 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.9 p30 -101.27 -10.01 20.72 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.858 -1.378 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 83.03 -8.67 62.59 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 120.683 -1.26 . . . . 0.0 110.671 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.578 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 64.4 mt-10 -119.53 144.31 47.11 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.8 t -106.32 133.79 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.019 -1.051 . . . . 0.0 111.396 -177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.417 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 14.4 t70 -84.06 160.58 20.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 50.7 p90 -60.64 -39.8 89.65 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.937 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.471 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 60.7 tt0 -61.12 -40.03 92.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.528 -1.357 . . . . 0.0 110.304 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.78 -40.03 76.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.738 -1.226 . . . . 0.0 111.381 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -66.84 -50.03 63.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.166 -0.959 . . . . 0.0 111.376 -178.433 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.585 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 8.6 p -60.06 -36.93 70.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.271 -0.893 . . . . 0.0 112.077 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.64 -60.6 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.669 -1.269 . . . . 0.0 111.502 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.47 -48.91 71.03 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.728 -1.232 . . . . 0.0 111.769 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.305 -0.872 . . . . 0.0 111.805 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.82 -24.29 63.45 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.361 -0.837 . . . . 0.0 109.279 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -20.18 59.4 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.0 110.818 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 mt -93.96 -46.72 7.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.806 -1.184 . . . . 0.0 110.55 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 t -60.6 -47.68 85.11 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 8.5 p -67.59 -39.95 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.213 -0.929 . . . . 0.0 109.309 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.435 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -64.79 -24.5 67.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.685 -0.634 . . . . 0.0 110.012 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.09 -39.92 75.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.082 -1.011 . . . . 0.0 109.861 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -62.47 -40.04 95.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.037 -1.04 . . . . 0.0 110.306 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.064 -1.022 . . . . 0.0 110.515 -179.188 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m170 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.323 0.582 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -60.11 -50.44 73.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.33 -0.856 . . . . 0.0 111.438 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.09 -50.01 73.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.735 -1.228 . . . . 0.0 111.359 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.1 -39.04 91.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.886 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.079 -179.388 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 m170 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.451 0.643 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.98 -50.65 72.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 0.0 111.557 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.07 -49.95 73.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.835 -1.166 . . . . 0.0 111.409 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.85 -39.18 90.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.128 -0.983 . . . . 0.0 109.801 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.202 -179.385 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.519 ' OE2' ' ND2' ' B' ' 13' ' ' ASN . 98.0 mt-10 -59.96 -55.48 33.52 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 110.386 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.03 -38.67 83.4 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.993 -1.067 . . . . 0.0 110.705 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.44 -43.52 68.1 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.723 -1.236 . . . . 0.0 108.519 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 36.5 p -70.36 -36.84 74.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.354 -0.841 . . . . 0.0 110.353 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -52.09 -56.17 16.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.763 -178.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mmm -60.01 -34.2 73.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.981 -1.075 . . . . 0.0 110.105 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.34 -40.02 95.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 110.191 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 19.8 p -69.11 -46.58 67.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.588 0.709 . . . . 0.0 110.916 -178.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 84.5 mt -60.9 -49.83 75.87 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.514 0.673 . . . . 0.0 111.627 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.14 -39.84 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.364 -0.835 . . . . 0.0 112.048 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.523 ' ND2' ' OE2' ' B' ' 3' ' ' GLU . 57.0 t-20 -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.27 -1.519 . . . . 0.0 110.798 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.02 -29.85 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.3 -0.875 . . . . 0.0 110.823 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.5 m-30 -61.41 -55.72 28.31 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.832 -1.167 . . . . 0.0 111.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -75.7 -24.25 56.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.454 -0.779 . . . . 0.0 112.056 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.95 -60.23 2.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.596 -1.315 . . . . 0.0 110.874 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.44 -39.96 81.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.948 -1.095 . . . . 0.0 111.07 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -63.62 -19.82 65.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 112.34 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.76 19.52 33.14 Favored Glycine 0 N--CA 1.503 3.157 0 O-C-N 121.074 -1.016 . . . . 0.0 111.144 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 N--CA 1.495 1.78 0 O-C-N 120.678 -1.484 . . . . 0.0 109.402 179.283 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 21.5 p90 . . . . . 0 N--CA 1.502 2.144 0 CA-C-O 122.234 1.016 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 142.67 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -95.47 147.4 23.58 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.688 -1.258 . . . . 0.0 108.327 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.465 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 53.7 m -130.83 162.44 29.58 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.462 ' CB ' ' HZ3' ' A' ' 30' ' ' LYS . 3.8 ttmp? -50.33 -46.27 55.45 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.579 -1.248 . . . . 0.0 110.663 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.06 -34.33 74.99 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.855 -1.153 . . . . 0.0 110.996 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.465 ' HB2' ' H ' ' A' ' 29' ' ' SER . 97.7 mt-10 -73.96 -36.8 64.63 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.982 0.896 . . . . 0.0 108.594 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.07 -51.07 71.22 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -70.72 -36.48 73.24 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.93 -1.106 . . . . 0.0 112.575 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -68.26 -35.78 78.41 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.93 -38.69 89.4 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.7 -0.625 . . . . 0.0 111.801 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.93 -37.55 22.17 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.765 -1.209 . . . . 0.0 112.731 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.8 pp0? -70.06 -33.14 71.55 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.71 -1.244 . . . . 0.0 110.403 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 53.4 m -75.36 -48.56 22.45 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.521 -0.737 . . . . 0.0 111.686 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -97.88 -46.29 5.99 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.101 -0.999 . . . . 0.0 111.97 -178.034 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -100.85 78.78 1.98 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.783 -1.198 . . . . 0.0 109.221 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' SER . 39.3 m -90.74 142.21 27.99 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.3 p 78.44 -3.27 2.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.521 -0.737 . . . . 0.0 111.103 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -104.06 -78.58 0.56 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -89.11 130.44 35.55 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 177.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.439 ' CG ' ' HZ3' ' A' ' 49' ' ' LYS . 84.4 m-20 -121.59 77.19 1.32 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.971 0.891 . . . . 0.0 110.253 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 4.2 m -78.31 -39.67 24.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 121.827 0.822 . . . . 0.0 110.774 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 97.7 mt-30 -60.08 -50.07 75.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.49 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -74.43 -37.12 63.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.661 -1.274 . . . . 0.0 110.134 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.18 88.87 7.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.983 -1.073 . . . . 0.0 109.763 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.27 92.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.566 -0.709 . . . . 0.0 109.585 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 90.4 m-20 -59.82 -39.38 84.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.336 -0.852 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.04 94.77 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.648 -0.658 . . . . 0.0 111.848 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 22.3 t -68.91 -56.9 10.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 120.849 -1.157 . . . . 0.0 112.19 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.22 -40.97 97.14 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.843 -1.16 . . . . 0.0 111.17 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 36.2 mmtm -69.43 -40.03 77.48 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.536 -0.728 . . . . 0.0 111.91 -177.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.9 mt -78.99 -51.98 16.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.485 -0.759 . . . . 0.0 111.479 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.536 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -64.2 -43.36 95.28 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.143 -177.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.89 -36.26 81.88 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.914 -1.116 . . . . 0.0 108.845 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.87 -17.33 31.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.628 ' C ' ' H ' ' A' ' 63' ' ' GLU . 49.8 tp -86.66 -19.86 28.65 Favored 'General case' 0 N--CA 1.506 2.342 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 65' ' ' GLY . 21.7 m-20 -89.26 48.0 1.56 Allowed 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 102.909 -2.997 . . . . 0.0 102.909 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.628 ' H ' ' C ' ' A' ' 61' ' ' LEU . 49.4 tp10 -43.46 -20.17 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 111.352 -2.658 . . . . 0.0 109.776 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' ASP . 79.6 m-20 -87.95 -0.17 56.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.724 -1.235 . . . . 0.0 108.204 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.607 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.85 38.17 95.21 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 27.3 p-10 -101.0 -17.45 16.74 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.887 -1.36 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.76 -10.34 62.7 Favored Glycine 0 N--CA 1.501 3.004 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 49.5 mt-10 -119.18 139.13 52.35 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 68.4 t -103.99 132.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.7 m-20 -86.2 124.06 32.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 109.009 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' A' ' 70' ' ' ASP . 87.0 m-85 -28.66 -35.04 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 O-C-N 122.107 -0.371 . . . . 0.0 111.715 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.7 tt0 -60.54 -40.86 93.09 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.456 -1.403 . . . . 0.0 109.502 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.3 mt-10 -66.26 -39.94 89.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.986 -1.071 . . . . 0.0 109.406 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.427 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 16.9 t80 -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.86 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.81 -34.64 61.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 O-C-N 120.93 -1.106 . . . . 0.0 110.842 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.34 -60.56 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.739 -1.226 . . . . 0.0 112.028 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.99 -40.72 64.99 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.822 -1.174 . . . . 0.0 112.723 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 t -67.44 -39.76 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.62 -1.3 . . . . 0.0 109.741 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.3 -25.49 57.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.572 -0.705 . . . . 0.0 109.813 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.73 -25.09 65.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.932 -1.105 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -91.87 -37.43 12.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 109.68 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.54 ' HG1' ' N ' ' A' ' 83' ' ' VAL . 61.7 p -62.0 -48.56 79.79 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.57 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.54 ' N ' ' HG1' ' A' ' 82' ' ' THR . 8.6 p -74.04 -40.9 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.545 -0.722 . . . . 0.0 110.709 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.09 -34.15 74.48 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.354 -0.841 . . . . 0.0 111.139 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.68 -47.22 55.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.12 -41.7 93.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.036 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.298 -0.876 . . . . 0.0 110.505 -179.573 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.119 0.485 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE2' ' ND2' ' A' ' 13' ' ' ASN . 97.2 mt-10 -59.64 -55.79 30.06 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.124 -0.985 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.89 -38.41 82.17 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.082 -1.011 . . . . 0.0 110.815 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -53.71 -43.66 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.648 -1.282 . . . . 0.0 108.35 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 35.7 p -70.25 -35.65 73.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.442 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -53.09 -55.78 21.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.647 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.9 mmm -60.15 -34.06 73.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.982 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.38 -39.99 94.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.155 -0.966 . . . . 0.0 110.082 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 21.3 p -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.646 0.736 . . . . 0.0 110.831 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.0 mt -60.6 -49.86 75.83 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.616 -0.678 . . . . 0.0 111.719 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.6 mt -70.25 -39.86 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.041 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.519 ' ND2' ' OE2' ' A' ' 3' ' ' GLU . 56.3 t-20 -59.94 -40.1 87.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.325 -1.484 . . . . 0.0 110.355 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 p -81.02 -29.8 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.351 -0.843 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.7 m-30 -61.44 -55.73 28.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.801 -1.187 . . . . 0.0 111.165 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -75.66 -23.91 56.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.491 -0.756 . . . . 0.0 112.086 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.29 2.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.732 -1.23 . . . . 0.0 110.895 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.008 -1.058 . . . . 0.0 111.069 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.3 p -63.39 -20.02 65.17 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.383 -0.823 . . . . 0.0 112.255 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.32 19.12 34.9 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.077 -1.014 . . . . 0.0 111.19 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 N--CA 1.494 1.742 0 O-C-N 120.548 -1.56 . . . . 0.0 109.669 179.584 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 21.4 p90 . . . . . 0 N--CA 1.502 2.164 0 CA-C-O 122.301 1.048 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 142.69 32.3 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -95.37 147.19 23.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.709 -1.244 . . . . 0.0 108.372 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 54.6 m -130.22 162.96 27.76 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -50.78 -46.35 59.51 Favored 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 118.441 -1.303 . . . . 0.0 110.618 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.52 -33.8 73.33 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.819 -1.176 . . . . 0.0 110.846 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.454 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.2 mt-10 -73.99 -36.63 64.53 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.661 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.22 -51.32 70.07 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -70.12 -36.89 75.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.973 -1.08 . . . . 0.0 112.694 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.05 -35.77 78.78 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.719 -1.238 . . . . 0.0 107.737 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.9 -38.71 89.38 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 121.712 -0.618 . . . . 0.0 111.748 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.98 -37.41 22.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.878 -1.139 . . . . 0.0 112.834 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.623 ' NE2' ' HG1' ' B' ' 39' ' ' THR . 1.8 pp0? -70.03 -33.3 71.81 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.691 -1.256 . . . . 0.0 110.386 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.623 ' HG1' ' NE2' ' B' ' 38' ' ' GLN . 55.2 m -75.21 -48.56 22.88 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.531 -0.731 . . . . 0.0 111.679 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -98.0 -46.45 5.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.011 -1.055 . . . . 0.0 111.9 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -100.61 78.95 2.04 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.821 -1.174 . . . . 0.0 109.307 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' B' ' 43' ' ' SER . 39.4 m -91.18 142.14 28.05 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.1 p 78.23 -2.67 2.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 111.088 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -104.71 -78.59 0.56 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.09 130.43 35.54 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.494 ' CG ' ' HZ3' ' B' ' 49' ' ' LYS . 84.3 m-20 -121.62 77.03 1.31 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 0.0 110.308 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.518 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 4.2 m -78.1 -39.66 25.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 121.884 0.849 . . . . 0.0 110.889 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.518 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 97.8 mt-30 -60.03 -49.97 75.55 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -175.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.494 ' HZ3' ' CG ' ' B' ' 46' ' ' ASP . 0.0 OUTLIER -74.69 -37.32 62.67 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.695 -1.253 . . . . 0.0 110.146 -179.153 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -89.97 88.75 7.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.974 -1.079 . . . . 0.0 109.751 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.75 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.6 -0.688 . . . . 0.0 109.559 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' LYS . 91.1 m-20 -60.05 -39.3 85.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 109.279 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.97 84.99 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.71 -0.619 . . . . 0.0 112.379 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 21.8 t -70.9 -57.05 8.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 120.727 -1.233 . . . . 0.0 111.961 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.97 -41.03 97.66 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.91 -1.119 . . . . 0.0 111.162 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' B' ' 52' ' ' ASP . 36.9 mmtm -69.5 -39.93 77.29 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.465 -0.772 . . . . 0.0 111.903 -177.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.4 mt -78.89 -52.79 14.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.427 -0.796 . . . . 0.0 111.34 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.53 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -62.65 -44.28 96.68 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.421 -0.799 . . . . 0.0 111.603 -178.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -66.51 -36.33 82.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.035 -1.041 . . . . 0.0 108.924 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -88.03 -17.48 31.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 109.186 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.632 ' C ' ' H ' ' B' ' 63' ' ' GLU . 52.4 tp -86.41 -19.89 29.02 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.3 m-20 -89.49 48.23 1.58 Allowed 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 102.794 -3.039 . . . . 0.0 102.794 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.632 ' H ' ' C ' ' B' ' 61' ' ' LEU . 49.3 tp10 -43.48 -20.07 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 111.25 -2.705 . . . . 0.0 109.793 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 79.6 m-20 -88.16 -0.15 56.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.713 -1.242 . . . . 0.0 108.173 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.71 35.79 91.47 Favored Glycine 0 N--CA 1.494 2.513 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.501 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 27.4 p-10 -99.24 -17.77 17.94 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.885 -1.362 . . . . 0.0 110.753 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.43 -9.6 64.04 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 50.2 mt-10 -119.07 139.95 50.89 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.452 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 88.9 t -104.65 131.85 52.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 O-C-N 121.623 -0.673 . . . . 0.0 109.33 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.6 m-20 -85.82 123.77 31.56 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.01 -1.056 . . . . 0.0 109.101 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.481 ' C ' ' O ' ' B' ' 70' ' ' ASP . 87.8 m-85 -28.36 -35.02 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 O-C-N 122.254 -0.279 . . . . 0.0 111.643 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' B' ' 70' ' ' ASP . 28.5 tt0 -60.86 -40.5 93.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.442 -1.411 . . . . 0.0 109.528 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.2 mt-10 -66.67 -39.92 88.37 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.899 -1.126 . . . . 0.0 109.272 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 17.6 t80 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.867 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.07 -35.0 66.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 O-C-N 120.873 -1.142 . . . . 0.0 110.919 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.4 -60.48 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.808 -1.183 . . . . 0.0 112.041 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.92 -40.64 65.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.972 -1.08 . . . . 0.0 112.801 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 t -67.77 -38.76 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.609 -1.307 . . . . 0.0 109.927 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.87 -25.72 56.43 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.51 -0.744 . . . . 0.0 109.893 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.82 -21.3 64.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.999 -1.063 . . . . 0.0 109.836 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.0 mt -94.89 -37.67 11.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.207 -0.933 . . . . 0.0 109.315 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -62.03 -48.11 81.75 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.523 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 8.9 p -74.4 -41.21 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.464 -0.772 . . . . 0.0 110.676 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.446 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -60.79 -34.27 74.25 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.346 -0.846 . . . . 0.0 111.181 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.57 -47.26 56.03 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.119 -0.988 . . . . 0.0 110.478 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -60.13 -41.76 93.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.059 -1.026 . . . . 0.0 110.076 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.426 -179.556 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.44 ' HZ3' ' CD ' ' A' ' 60' ' ' GLU . 54.7 pttt -60.87 -33.34 72.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.682 -1.261 . . . . 0.0 110.78 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.15 -49.84 76.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.877 -1.14 . . . . 0.0 110.529 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.52 -39.53 93.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.867 -1.145 . . . . 0.0 109.077 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.972 . . . . 0.0 110.509 -179.324 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -60.63 -33.34 72.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.613 -1.304 . . . . 0.0 111.004 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.03 -50.06 75.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.858 -1.151 . . . . 0.0 110.561 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.46 -39.55 94.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.85 -1.156 . . . . 0.0 109.028 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 0.0 110.645 -179.396 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 120.82 0.343 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 56.0 mp0 -60.53 -57.4 12.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.816 -1.177 . . . . 0.0 110.353 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -54.73 25.99 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.43 -1.419 . . . . 0.0 108.278 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -45.42 -45.21 12.69 Favored 'General case' 0 C--N 1.29 -1.992 0 O-C-N 121.877 -0.515 . . . . 0.0 109.959 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 19.9 p -66.32 -32.39 73.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.913 -1.117 . . . . 0.0 110.798 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.27 89.93 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.765 -1.209 . . . . 0.0 111.599 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.69 -40.11 84.38 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.128 -1.608 . . . . 0.0 111.171 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.42 -44.7 86.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.875 -1.141 . . . . 0.0 111.835 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.499 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 6.4 t -73.85 -44.86 54.25 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.499 ' N ' ' CG2' ' A' ' 10' ' ' THR . 0.3 OUTLIER -71.37 -29.45 64.97 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.89 -0.506 . . . . 0.0 112.131 -177.426 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.3 -35.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.197 -1.565 . . . . 0.0 109.269 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.13 -40.02 88.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.72 -1.238 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.14 -38.62 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.485 -0.759 . . . . 0.0 109.486 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -51.19 -59.06 4.6 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.374 -0.829 . . . . 0.0 111.48 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -71.4 -22.89 61.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.68 -0.637 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -53.3 59.44 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.772 -1.205 . . . . 0.0 110.271 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.41 -39.31 77.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -63.26 -6.9 5.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.137 -0.977 . . . . 0.0 111.014 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.0 18.12 58.03 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.195 -1.18 . . . . 0.0 108.09 179.042 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.9 148.05 43.12 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 121.096 1.771 . . . . 0.0 110.139 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.3 mm? -95.74 161.06 14.18 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.568 1.175 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.1 m -126.66 160.06 31.84 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -44.6 -38.82 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.974 -1.079 . . . . 0.0 111.236 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -80.87 -24.31 38.45 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.765 -1.209 . . . . 0.0 112.343 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -82.74 -40.02 21.1 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.225 -1.547 . . . . 0.0 110.873 -179.558 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.55 -36.99 71.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.243 -0.911 . . . . 0.0 109.96 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.97 -45.4 92.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.93 -25.17 58.7 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.012 -1.055 . . . . 0.0 110.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.31 -39.96 93.15 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 121.423 -0.798 . . . . 0.0 111.98 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -84.25 -36.01 23.01 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.806 -1.184 . . . . 0.0 112.785 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.523 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.4 pp0? -69.93 -33.39 72.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.528 -1.358 . . . . 0.0 110.237 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.523 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 92.6 m -82.15 -52.41 7.01 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.295 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -79.99 -60.05 2.49 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.695 -0.628 . . . . 0.0 111.542 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.18 56.65 2.24 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 122.333 1.063 . . . . 0.0 109.453 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -69.89 -11.2 60.69 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.606 -0.684 . . . . 0.0 110.219 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -71.9 -21.42 61.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.184 -0.947 . . . . 0.0 113.15 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 44.9 t80 -160.45 -40.82 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.828 -1.795 . . . . 0.0 111.909 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.9 mm? -61.37 132.96 55.21 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 117.753 -1.579 . . . . 0.0 107.103 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.501 ' OD2' ' CB ' ' A' ' 53' ' ' ALA . 39.3 p-10 -82.67 -128.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.701 -1.249 . . . . 0.0 111.745 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER 72.1 17.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -176.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -122.51 9.38 9.64 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -175.86 -29.54 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.546 -0.721 . . . . 0.0 109.269 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -94.16 98.58 11.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 109.677 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.37 72.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.69 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.228 -0.92 . . . . 0.0 108.938 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' CB ' ' OD2' ' A' ' 46' ' ' ASP . . . -61.57 -39.98 93.12 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.347 -0.846 . . . . 0.0 111.238 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.91 -55.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 121.043 -1.035 . . . . 0.0 112.362 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.04 -41.37 95.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.712 -1.243 . . . . 0.0 111.517 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -71.4 -39.94 70.84 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.225 -0.922 . . . . 0.0 111.464 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.6 mt -75.0 -53.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.839 -1.163 . . . . 0.0 110.637 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.7 ppp? -63.76 -42.28 97.84 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.126 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' ' 58' ' ' MET . 78.1 tttt -68.03 -39.71 83.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 109.717 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.44 ' CD ' ' HZ3' ' C' ' 7' ' ' LYS . 98.7 mt-10 -86.25 -17.32 35.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.973 -1.079 . . . . 0.0 108.777 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 63' ' ' GLU . 55.6 tp -87.57 -16.62 34.05 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.5 m-20 -92.65 47.39 1.29 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 102.641 -3.096 . . . . 0.0 102.641 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.579 ' H ' ' C ' ' A' ' 61' ' ' LEU . 18.2 pt-20 -46.74 -19.78 0.11 Allowed 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 111.31 -2.677 . . . . 0.0 109.977 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -87.05 3.23 46.92 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 62.77 40.42 99.19 Favored Glycine 0 N--CA 1.496 2.635 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.774 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 42.7 p-10 -102.22 -16.7 16.24 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.842 -1.387 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.07 70.88 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 45.1 mt-10 -123.33 140.09 53.37 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.52 129.29 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.124 -0.985 . . . . 0.0 110.745 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.3 157.74 29.1 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.517 -0.739 . . . . 0.0 109.489 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CE2' ' CG1' ' B' ' 83' ' ' VAL . 0.0 OUTLIER -62.33 -28.33 69.67 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.205 -0.935 . . . . 0.0 110.635 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -70.53 -40.0 73.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.538 -1.351 . . . . 0.0 109.166 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.1 -40.0 75.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.461 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 20.9 t80 -64.31 -52.39 58.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.582 -0.699 . . . . 0.0 112.049 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.98 -35.23 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.718 -0.614 . . . . 0.0 112.13 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.25 -58.75 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.917 -1.115 . . . . 0.0 111.949 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.21 -40.12 78.17 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.074 -1.016 . . . . 0.0 112.325 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 14.1 m -69.98 -37.52 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 111.205 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -74.84 -24.02 58.53 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.668 -0.645 . . . . 0.0 109.454 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.51 -29.59 67.24 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 mt -83.83 -36.69 23.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.619 -0.676 . . . . 0.0 109.259 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -64.22 -49.94 69.99 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.4 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.53 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 71.3 t -69.84 -40.98 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-O 121.752 0.787 . . . . 0.0 109.873 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.13 -34.03 74.34 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.738 0.78 . . . . 0.0 109.696 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.586 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 48.4 t -62.62 -39.95 95.43 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.83 -36.01 75.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.642 -0.661 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--N 1.301 -1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.297 -179.696 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 120.826 0.346 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.515 ' O ' ' OG1' ' B' ' 6' ' ' THR . 56.0 mp0 -60.55 -57.67 11.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.757 -1.214 . . . . 0.0 110.314 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -55.33 17.97 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.493 -1.379 . . . . 0.0 108.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -45.27 -45.05 11.8 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.941 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.515 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 19.3 p -66.67 -32.22 73.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.927 -1.108 . . . . 0.0 110.715 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.32 89.76 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.845 -1.159 . . . . 0.0 111.532 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.54 -40.13 85.03 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.259 -1.525 . . . . 0.0 111.162 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.56 -44.65 86.11 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.095 -1.003 . . . . 0.0 111.735 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 6.3 t -74.08 -44.51 53.77 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.207 -0.933 . . . . 0.0 111.454 -176.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' B' ' 10' ' ' THR . 0.3 OUTLIER -71.7 -29.51 64.65 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.825 -0.547 . . . . 0.0 112.047 -177.514 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.33 -36.86 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 119.987 -1.696 . . . . 0.0 108.912 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.37 -40.19 85.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.9 -1.125 . . . . 0.0 109.603 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.44 -39.29 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.309 -0.869 . . . . 0.0 109.497 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -50.81 -59.02 4.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.69 0.757 . . . . 0.0 111.586 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -71.37 -23.0 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.704 -0.622 . . . . 0.0 111.035 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -53.43 57.94 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.698 -1.252 . . . . 0.0 110.207 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.053 -1.029 . . . . 0.0 110.636 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -63.14 -6.49 4.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.151 -0.968 . . . . 0.0 110.96 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.15 17.45 59.27 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.203 -1.175 . . . . 0.0 108.269 179.016 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.68 148.19 43.7 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 121.188 1.813 . . . . 0.0 110.149 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.499 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.3 mm? -95.74 160.98 14.22 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 122.515 1.15 . . . . 0.0 111.24 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 57.0 m -126.46 160.21 31.16 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -44.68 -38.92 4.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 111.248 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -80.98 -23.87 38.45 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.698 -1.251 . . . . 0.0 112.45 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 96.4 mt-10 -82.82 -40.48 20.3 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.234 -1.541 . . . . 0.0 110.86 -179.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.07 -37.12 72.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.878 . . . . 0.0 109.981 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.03 -45.15 93.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -75.3 -24.92 57.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.96 -1.087 . . . . 0.0 110.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.46 -39.84 92.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.502 -0.749 . . . . 0.0 112.002 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.1 mt -84.1 -36.74 22.75 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.846 -1.159 . . . . 0.0 112.727 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.532 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.4 pp0? -69.08 -33.66 73.9 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.6 -1.312 . . . . 0.0 110.339 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.532 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 92.5 m -81.99 -52.51 6.97 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.671 0.748 . . . . 0.0 111.421 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -79.95 -60.03 2.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.658 -0.651 . . . . 0.0 111.554 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.22 56.71 2.24 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.333 1.063 . . . . 0.0 109.438 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 p -69.94 -11.5 60.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.755 . . . . 0.0 110.241 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.6 p -71.61 -21.49 61.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.218 -0.927 . . . . 0.0 113.091 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.593 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 45.1 t80 -160.31 -40.93 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 119.738 -1.851 . . . . 0.0 111.825 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 1.9 mm? -61.39 132.96 55.2 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 117.77 -1.572 . . . . 0.0 107.164 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.497 ' OD2' ' CB ' ' B' ' 53' ' ' ALA . 39.0 p-10 -82.76 -128.48 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 0.0 111.71 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' B' ' 47' ' ' VAL . 0.7 OUTLIER 72.17 17.37 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 -176.344 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -122.16 9.03 9.8 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -175.71 -29.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.645 -0.659 . . . . 0.0 109.35 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -94.37 98.47 10.92 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.813 . . . . 0.0 109.515 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.07 71.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -60.2 -40.11 88.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.965 . . . . 0.0 108.882 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.497 ' CB ' ' OD2' ' B' ' 46' ' ' ASP . . . -62.69 -37.05 84.91 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.426 -0.796 . . . . 0.0 111.708 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.3 t -70.13 -55.53 14.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 120.893 -1.129 . . . . 0.0 112.268 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -64.94 -41.37 95.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.686 -1.259 . . . . 0.0 111.594 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -71.48 -39.91 70.58 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.197 -0.939 . . . . 0.0 111.412 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -74.95 -53.73 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 120.794 -1.191 . . . . 0.0 110.633 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -62.63 -42.98 99.9 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.273 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.454 ' N ' ' SD ' ' B' ' 58' ' ' MET . 77.1 tttt -68.23 -39.74 82.24 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.407 -0.808 . . . . 0.0 109.772 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -86.24 -17.27 35.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.015 -1.053 . . . . 0.0 108.724 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.589 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.3 tp -87.75 -16.74 33.37 Favored 'General case' 0 N--CA 1.507 2.408 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 65' ' ' GLY . 46.3 m-20 -92.62 47.65 1.32 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 102.627 -3.101 . . . . 0.0 102.627 173.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.589 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.3 pt-20 -46.92 -19.61 0.11 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 111.21 -2.723 . . . . 0.0 110.064 -177.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -87.3 3.54 46.36 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.621 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 63.48 37.94 95.57 Favored Glycine 0 N--CA 1.497 2.729 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.063 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 43.4 p-10 -100.11 -17.07 17.61 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 120.745 -1.444 . . . . 0.0 111.072 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.71 71.86 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 44.8 mt-10 -123.25 140.6 52.85 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.53 129.44 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.043 -1.036 . . . . 0.0 110.762 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.22 158.0 29.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.502 -0.748 . . . . 0.0 109.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -62.5 -28.32 69.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.229 -0.919 . . . . 0.0 110.611 179.269 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -70.56 -40.05 73.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.439 -1.413 . . . . 0.0 109.1 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.06 -40.05 75.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.212 -0.93 . . . . 0.0 110.289 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.466 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 22.4 t80 -64.28 -52.78 56.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.573 -0.704 . . . . 0.0 111.999 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.82 -35.37 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.741 -0.6 . . . . 0.0 112.119 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.05 -58.78 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.862 -1.148 . . . . 0.0 112.133 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.04 -40.0 78.85 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.967 -1.083 . . . . 0.0 112.348 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 14.9 m -70.09 -37.38 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.868 -1.145 . . . . 0.0 111.435 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -74.82 -24.49 58.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.627 -0.671 . . . . 0.0 109.392 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.31 -23.44 61.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.173 -0.954 . . . . 0.0 108.924 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 -36.22 15.88 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -64.44 -49.9 69.67 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.402 -0.919 . . . . 0.0 109.329 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.494 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 72.3 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 109.864 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.51 73.46 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.741 0.782 . . . . 0.0 109.686 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.593 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 45.2 t -62.96 -40.02 96.44 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.696 0.76 . . . . 0.0 109.003 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -59.94 -36.0 76.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.966 . . . . 0.0 109.416 -179.653 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 78.1 t60 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.97 0.414 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.528 ' NZ ' ' N ' ' A' ' 53' ' ' ALA . 4.8 tmtt? -59.53 -48.61 80.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.012 -1.055 . . . . 0.0 111.179 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.81 -41.82 74.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.519 -1.363 . . . . 0.0 110.475 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.45 -32.42 73.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.98 -1.075 . . . . 0.0 108.728 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.301 -1.535 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.842 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.2 t60 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.113 0.482 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . 0.617 ' NZ ' ' N ' ' B' ' 53' ' ' ALA . 6.3 tmtt? -59.53 -48.5 81.42 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.988 -1.07 . . . . 0.0 111.19 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.77 -42.43 73.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.598 -1.314 . . . . 0.0 110.376 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.79 -32.87 74.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.002 . . . . 0.0 108.676 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 178.947 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.489 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 -63.09 -53.02 60.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.455 -0.778 . . . . 0.0 110.065 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.3 tp -59.84 -36.68 77.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.428 -0.795 . . . . 0.0 109.919 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -44.87 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.288 -0.883 . . . . 0.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 32.1 p -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.594 -0.691 . . . . 0.0 110.051 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.97 -46.79 75.12 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.513 -0.742 . . . . 0.0 109.524 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.4 mmm -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.121 -0.987 . . . . 0.0 109.898 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.92 -39.88 95.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 0.0 110.445 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 23.0 p -70.53 -47.12 61.94 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 112.291 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.12 -39.96 88.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.566 -0.709 . . . . 0.0 111.125 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.42 -29.94 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 111.3 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -60.54 -40.01 89.97 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.199 -1.563 . . . . 0.0 108.57 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -80.5 -36.57 16.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.94 -52.67 64.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.948 -1.095 . . . . 0.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -71.76 -28.26 63.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.686 -0.634 . . . . 0.0 111.101 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -59.82 2.7 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.66 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 48.9 m-70 -66.46 -40.06 89.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.725 -1.235 . . . . 0.0 111.968 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.8 p -68.34 -17.53 64.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.107 -0.996 . . . . 0.0 112.37 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.44 16.17 24.45 Favored Glycine 0 N--CA 1.502 3.086 0 O-C-N 121.186 -0.946 . . . . 0.0 111.818 -177.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt . . . . . 0 N--CA 1.495 1.813 0 CA-C-N 119.94 1.87 . . . . 0.0 108.393 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.5 2.057 0 CA-C-O 122.226 1.012 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.6 150.92 26.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -97.49 160.1 14.52 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.598 1.189 . . . . 0.0 111.396 -177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.453 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 42.3 t -128.95 163.36 25.49 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -51.01 -40.0 57.13 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.171 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -75.46 -30.0 59.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.596 -1.315 . . . . 0.0 112.083 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' HB2' ' H ' ' A' ' 29' ' ' SER . 94.5 mt-10 -75.5 -34.4 60.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.585 -1.322 . . . . 0.0 108.569 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.95 -40.04 75.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.769 -0.582 . . . . 0.0 111.624 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.64 -39.97 94.63 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.786 -1.196 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 50.8 t0 -79.66 -31.09 41.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.944 -1.097 . . . . 0.0 110.394 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.0 -40.08 78.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.26 -0.9 . . . . 0.0 112.279 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.8 mt -82.8 -38.55 22.96 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.567 -1.333 . . . . 0.0 112.049 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.656 ' NE2' ' HG1' ' A' ' 39' ' ' THR . 1.5 pp0? -69.51 -37.72 77.29 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.656 -1.278 . . . . 0.0 110.396 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.656 ' HG1' ' NE2' ' A' ' 38' ' ' GLN . 76.0 m -80.13 -66.49 0.87 Allowed 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.363 -178.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 30.9 mp0 -69.4 -40.13 77.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.728 -0.607 . . . . 0.0 111.433 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.8 69.95 0.7 Allowed 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 122.409 1.099 . . . . 0.0 110.287 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.4 p -81.98 -149.89 0.08 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.7 t 45.3 -10.81 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' A' ' 42' ' ' SER . 92.6 m-85 -145.1 -75.42 0.22 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.019 -1.676 . . . . 0.0 111.127 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 mm? -61.24 131.78 51.5 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.822 -1.174 . . . . 0.0 108.945 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.497 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 96.3 m-20 -114.29 146.88 39.9 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 2.4 m -153.72 -37.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.41 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 96.3 mt-30 -75.22 -50.34 16.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.409 -0.807 . . . . 0.0 111.631 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.497 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 10.3 ptpt -68.28 -39.96 81.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.051 -1.031 . . . . 0.0 111.143 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' ASP . 49.0 t0 -99.31 102.9 14.66 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.988 -1.07 . . . . 0.0 109.768 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.65 -36.04 67.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.383 -0.823 . . . . 0.0 109.541 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.9 -39.41 85.28 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.528 ' N ' ' NZ ' ' C' ' 7' ' ' LYS . . . -63.11 -37.68 88.16 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.597 -0.689 . . . . 0.0 111.257 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 62.0 t -69.73 -56.0 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.839 -1.163 . . . . 0.0 111.912 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -67.01 -40.16 87.24 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.565 -1.334 . . . . 0.0 110.958 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -70.51 -40.01 73.78 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.027 -1.046 . . . . 0.0 111.617 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 61' ' ' LEU . 97.8 mt -78.1 -55.01 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.115 -0.99 . . . . 0.0 110.031 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.28 -45.39 93.5 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.781 -0.575 . . . . 0.0 111.362 -178.109 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -68.58 -39.29 81.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.03 . . . . 0.0 109.968 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -85.36 -16.71 38.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.978 -1.076 . . . . 0.0 108.724 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' A' ' 63' ' ' GLU . 68.1 tp -85.82 -16.41 38.82 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -91.29 47.16 1.36 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 174.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.563 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.3 tt0 -47.59 -22.9 0.55 Allowed 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.619 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.27 0.02 54.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.757 -1.215 . . . . 0.0 107.919 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 66.08 34.62 88.86 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 10.5 p-10 -100.64 -18.53 16.52 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.087 -1.243 . . . . 0.0 110.416 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.35 -0.22 85.08 Favored Glycine 0 N--CA 1.498 2.809 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.526 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 94.1 mt-10 -125.11 141.83 51.87 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.2 t -104.86 125.36 59.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 CA-C-O 122.028 0.918 . . . . 0.0 110.181 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 10.3 t70 -77.89 160.33 28.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.423 -0.798 . . . . 0.0 108.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 11.9 p90 -58.41 -28.32 65.11 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.083 -1.01 . . . . 0.0 110.629 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.01 -40.08 75.45 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.349 -1.469 . . . . 0.0 109.553 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.54 -39.97 64.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.006 -1.059 . . . . 0.0 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 6.7 t80 -67.68 -40.67 84.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.479 -0.763 . . . . 0.0 111.322 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.81 -31.97 27.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 O-C-N 121.354 -0.841 . . . . 0.0 110.502 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.08 -59.32 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 111.716 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.3 tt -69.99 -40.01 75.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.77 -1.207 . . . . 0.0 112.047 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.23 -39.89 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 120.675 -1.266 . . . . 0.0 110.164 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.4 -24.36 59.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.221 -0.925 . . . . 0.0 109.055 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.55 -27.15 65.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.794 -1.191 . . . . 0.0 109.989 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.81 -33.32 15.02 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.98 -1.075 . . . . 0.0 110.172 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.7 t -64.32 -49.62 71.02 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.544 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' A' ' 82' ' ' THR . 60.9 t -75.04 -41.76 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.898 -1.126 . . . . 0.0 110.749 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.59 75.77 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.534 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.83 -41.32 97.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.37 -0.831 . . . . 0.0 109.097 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -60.29 -41.4 93.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.487 -0.758 . . . . 0.0 110.562 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 . . . . . 0 N--CA 1.496 1.849 0 O-C-N 121.046 -1.033 . . . . 0.0 110.975 -178.534 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.459 ' O ' ' OG1' ' B' ' 6' ' ' THR . 57.8 mp0 -63.34 -53.02 59.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.488 -0.758 . . . . 0.0 110.074 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.94 -36.46 77.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.41 -0.806 . . . . 0.0 109.905 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.12 -45.1 87.89 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.115 0.96 . . . . 0.0 109.169 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 33.2 p -67.87 -31.33 71.06 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.504 -0.747 . . . . 0.0 109.939 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.436 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -56.59 -45.95 81.11 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.408 -0.917 . . . . 0.0 109.294 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -59.97 -40.06 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.665 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.9 -39.98 96.15 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.584 0.707 . . . . 0.0 110.281 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 22.4 p -70.31 -47.14 62.46 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.529 -0.732 . . . . 0.0 112.173 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.513 -0.742 . . . . 0.0 111.356 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -80.9 -31.3 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.198 -0.939 . . . . 0.0 110.993 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -39.86 87.35 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 120.468 -1.395 . . . . 0.0 108.031 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -80.4 -36.52 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.06 -52.5 65.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.939 -1.101 . . . . 0.0 111.218 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -71.97 -28.02 63.16 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.648 -0.657 . . . . 0.0 111.022 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.81 -59.89 2.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.638 -1.288 . . . . 0.0 110.596 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.54 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 49.3 m-70 -66.52 -39.96 88.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.801 -1.187 . . . . 0.0 111.932 -177.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -68.45 -17.33 64.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 112.332 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.61 15.43 24.41 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.769 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 N--CA 1.496 1.862 0 O-C-N 120.028 -1.866 . . . . 0.0 108.503 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.501 2.124 0 CA-C-O 122.167 0.984 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.94 150.85 26.31 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.42 160.13 14.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.724 1.25 . . . . 0.0 111.516 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.45 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.9 t -128.83 163.29 25.53 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -50.89 -39.96 55.5 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.353 -1.339 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -75.82 -29.74 58.75 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.569 -1.332 . . . . 0.0 112.069 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.45 ' HB2' ' H ' ' B' ' 29' ' ' SER . 94.3 mt-10 -75.64 -34.26 60.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.457 -1.402 . . . . 0.0 108.54 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.93 -40.08 75.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.653 -0.654 . . . . 0.0 111.61 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.5 -39.99 94.82 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.795 -1.191 . . . . 0.0 111.546 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 50.5 t0 -79.63 -31.03 41.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.894 -1.128 . . . . 0.0 110.329 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.01 -40.01 78.95 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.266 -0.897 . . . . 0.0 112.378 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.8 mt -82.68 -39.53 21.91 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.564 -1.335 . . . . 0.0 111.833 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.592 ' NE2' ' HG1' ' B' ' 39' ' ' THR . 1.5 pp0? -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.715 -1.241 . . . . 0.0 110.345 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.592 ' HG1' ' NE2' ' B' ' 38' ' ' GLN . 70.0 m -79.95 -66.69 0.84 Allowed 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.291 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 30.9 mp0 -69.48 -40.1 77.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 -177.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.79 69.92 0.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 CA-C-O 122.416 1.103 . . . . 0.0 110.245 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.627 ' O ' ' N ' ' B' ' 44' ' ' PHE . 84.0 p -81.98 -149.95 0.08 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t 45.19 -10.43 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.627 ' N ' ' O ' ' B' ' 42' ' ' SER . 91.3 m-85 -145.38 -75.27 0.22 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 119.971 -1.706 . . . . 0.0 111.232 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -61.44 131.8 51.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.848 -1.157 . . . . 0.0 108.881 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 96.8 m-20 -114.4 146.95 39.95 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 2.7 m -153.73 -37.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 97.2 mt-30 -75.2 -50.07 17.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.515 -0.741 . . . . 0.0 111.719 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.461 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 10.2 ptpt -68.51 -40.13 80.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.024 -1.048 . . . . 0.0 111.053 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -98.9 102.9 14.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.084 -1.01 . . . . 0.0 109.862 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.71 66.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.814 . . . . 0.0 109.506 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.483 ' C ' ' HZ2' ' D' ' 7' ' ' LYS . 89.6 m-20 -60.05 -38.98 84.4 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.617 ' N ' ' NZ ' ' D' ' 7' ' ' LYS . . . -63.95 -35.58 81.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.683 -0.635 . . . . 0.0 111.604 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 65.5 t -71.22 -55.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.781 -1.199 . . . . 0.0 111.942 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -66.99 -40.13 87.29 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.666 -1.271 . . . . 0.0 111.016 -177.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -70.52 -40.06 73.73 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.104 -0.997 . . . . 0.0 111.581 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -78.21 -54.85 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.986 . . . . 0.0 110.245 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.99 -45.67 91.96 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.738 -0.601 . . . . 0.0 111.428 -178.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.39 -39.61 81.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.135 -0.978 . . . . 0.0 109.939 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -85.29 -16.82 38.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.041 . . . . 0.0 108.735 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.567 ' C ' ' H ' ' B' ' 63' ' ' GLU . 67.7 tp -85.66 -16.32 39.52 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 0.3 OUTLIER -91.42 46.88 1.33 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 103.099 -2.926 . . . . 0.0 103.099 174.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.567 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.4 tt0 -47.27 -22.83 0.45 Allowed 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 111.633 -2.53 . . . . 0.0 109.572 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -86.32 0.02 54.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.848 -1.157 . . . . 0.0 108.061 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 66.88 32.72 81.86 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.737 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 10.8 p-10 -99.57 -19.0 17.09 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.987 -1.302 . . . . 0.0 110.409 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.58 0.0 86.46 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 94.4 mt-10 -125.34 141.86 51.83 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 95.1 t -104.42 125.42 59.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-O 121.946 0.879 . . . . 0.0 110.252 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 10.4 t70 -77.59 160.29 28.66 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.419 -0.801 . . . . 0.0 109.039 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 12.7 p90 -58.39 -28.4 65.15 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.137 -0.977 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.11 -39.95 75.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.312 -1.492 . . . . 0.0 109.573 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.54 -40.06 64.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.113 . . . . 0.0 110.329 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 5.8 t80 -67.78 -40.24 84.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.4 p -75.09 -31.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.458 -0.776 . . . . 0.0 110.454 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 45.7 t -72.24 -58.99 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.214 -0.929 . . . . 0.0 111.66 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.79 -1.194 . . . . 0.0 111.87 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.51 -39.88 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.773 -1.204 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.77 59.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.074 -1.016 . . . . 0.0 109.129 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.02 -22.09 63.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.816 -1.178 . . . . 0.0 110.623 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -95.78 -33.67 12.18 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.792 -1.192 . . . . 0.0 109.739 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.8 t -64.14 -49.46 72.06 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.555 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' B' ' 82' ' ' THR . 59.3 t -75.27 -41.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.959 -1.088 . . . . 0.0 110.712 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.42 75.58 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.487 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.68 -41.4 98.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.237 -0.914 . . . . 0.0 109.056 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -60.43 -41.2 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.452 -0.78 . . . . 0.0 110.653 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 110.917 -178.665 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.126 0.489 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.97 -43.61 94.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 109.597 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.12 -51.61 68.89 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.805 . . . . 0.0 110.872 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.881 -1.137 . . . . 0.0 110.336 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 120.941 -1.099 . . . . 0.0 109.673 -179.735 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.123 0.487 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.94 -43.5 94.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.102 -0.999 . . . . 0.0 109.612 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.2 -51.61 68.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.358 -0.838 . . . . 0.0 110.83 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 59.4 mt -70.04 -39.97 75.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.932 -1.105 . . . . 0.0 110.319 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.493 1.7 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 -179.663 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.499 1.976 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 58.0 mp0 -64.43 -52.4 58.31 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.819 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.1 tp -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.444 0.64 . . . . 0.0 110.25 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.7 -48.69 77.13 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.103 0.954 . . . . 0.0 109.683 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 16.4 p -65.39 -28.96 69.63 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.306 0.574 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.8 -48.05 78.84 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.388 -0.82 . . . . 0.0 109.549 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -60.05 -39.98 87.84 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.985 -1.072 . . . . 0.0 109.273 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.72 -39.99 90.68 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.452 -0.78 . . . . 0.0 110.341 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 12.6 p -70.39 -46.35 64.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.22 0.533 . . . . 0.0 111.982 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 81.0 mt -57.41 -39.58 76.46 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.306 -0.871 . . . . 0.0 110.172 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.88 -30.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 111.506 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.35 -40.06 95.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.022 -1.674 . . . . 0.0 109.855 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.67 -37.18 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.832 -0.542 . . . . 0.0 111.259 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.6 m-30 -58.59 -51.83 68.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.59 -23.88 56.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.534 -0.729 . . . . 0.0 111.534 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -61.01 1.99 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.792 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.37 -39.32 89.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.459 -1.4 . . . . 0.0 110.069 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 78.5 p -67.59 -15.7 63.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.321 -0.862 . . . . 0.0 111.279 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.4 16.97 56.39 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt . . . . . 0 C--N 1.305 -1.345 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.453 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.51 2.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -149.2 151.95 35.18 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 119.832 -1.792 . . . . 0.0 110.219 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.4 mm? -95.76 168.49 10.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.041 0.925 . . . . 0.0 110.562 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.5 p -127.65 159.74 33.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HZ2' ' CG1' ' A' ' 54' ' ' VAL . 15.7 tttp -48.46 -39.98 24.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.844 -1.16 . . . . 0.0 110.302 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -71.16 -30.06 65.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.075 -1.016 . . . . 0.0 112.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.45 -35.19 54.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.414 -1.429 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.14 -43.77 66.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.553 -0.717 . . . . 0.0 111.29 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.69 -44.36 96.61 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.688 -1.257 . . . . 0.0 110.826 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.66 -32.63 69.97 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 112.541 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.86 -38.4 21.23 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.564 -1.335 . . . . 0.0 112.472 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.6 ' NE2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -70.01 -48.74 56.85 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.766 -1.209 . . . . 0.0 110.599 -178.037 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.6 ' N ' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -69.96 -39.99 75.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.495 -0.753 . . . . 0.0 112.737 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -106.61 -30.61 8.91 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.289 -0.882 . . . . 0.0 112.381 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.92 68.31 0.7 Allowed 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 122.342 1.068 . . . . 0.0 109.958 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.648 ' O ' ' N ' ' A' ' 44' ' ' PHE . 13.5 m -81.17 -148.39 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.2 m 48.72 -22.18 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.648 ' N ' ' O ' ' A' ' 42' ' ' SER . 96.5 m-85 -141.79 -60.01 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.245 -1.534 . . . . 0.0 111.435 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.6 mm? -77.45 132.09 38.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.581 -1.324 . . . . 0.0 109.418 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.87 159.12 33.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.483 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 27.3 m -159.57 -34.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -75.6 -41.75 53.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.611 -0.68 . . . . 0.0 112.228 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -69.85 -35.64 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.679 -1.263 . . . . 0.0 110.037 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -109.77 104.81 13.83 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.762 . . . . 0.0 110.099 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.36 74.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.344 -0.848 . . . . 0.0 109.0 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.157 -0.964 . . . . 0.0 108.639 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.49 82.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.292 -0.88 . . . . 0.0 110.379 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 30.1 t -70.12 -57.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 112.083 -177.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.407 -1.433 . . . . 0.0 111.561 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -70.1 -39.9 75.26 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 111.322 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -77.49 -52.32 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 120.849 -1.157 . . . . 0.0 110.464 -177.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.464 ' CE ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -59.98 -48.31 82.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.511 -0.743 . . . . 0.0 110.882 -178.143 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.57 -39.12 84.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 110.238 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.25 -16.98 31.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.956 -1.09 . . . . 0.0 109.855 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.554 ' C ' ' H ' ' A' ' 63' ' ' GLU . 63.3 tp -80.68 -14.58 58.01 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 64' ' ' ASN . 12.1 m-20 -94.81 37.42 1.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.554 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.4 tt0 -35.71 -21.54 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 112.071 -2.331 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' ASP . 22.9 t-20 -86.03 -6.7 58.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.657 -1.277 . . . . 0.0 108.707 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 85.53 29.14 27.88 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.661 ' C ' ' H ' ' A' ' 68' ' ' GLU . 23.4 p-10 -109.83 114.37 27.89 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.53 15.19 0.05 OUTLIER Glycine 0 N--CA 1.491 2.351 0 C-N-CA 118.206 -1.95 . . . . 0.0 110.863 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.661 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.9 mt-10 -120.5 141.86 49.82 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.1 t -104.58 131.28 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.177 -0.952 . . . . 0.0 111.244 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 9.3 t70 -79.94 156.75 27.1 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.758 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.498 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 43.7 p90 -60.16 -38.92 84.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.237 -0.914 . . . . 0.0 110.161 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 54.6 tt0 -60.03 -40.77 90.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.097 -1.002 . . . . 0.0 110.84 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 61' ' ' LEU . 37.8 mt-10 -69.03 -40.03 78.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.775 -1.203 . . . . 0.0 110.352 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.444 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 20.7 t80 -62.46 -42.12 99.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 112.164 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.77 -35.2 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.915 -1.116 . . . . 0.0 111.007 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.01 -60.17 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.133 -0.98 . . . . 0.0 111.983 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.64 -40.53 73.03 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.88 -1.137 . . . . 0.0 112.511 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.14 -40.81 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.579 -1.326 . . . . 0.0 110.16 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 108.885 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.32 -26.6 68.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.86 -25.95 17.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.377 -0.827 . . . . 0.0 109.419 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -64.45 -55.04 23.47 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.409 -0.807 . . . . 0.0 110.253 -179.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 82' ' ' THR . 4.5 m -80.16 -34.09 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.559 -1.338 . . . . 0.0 110.726 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.1 93.89 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.939 -1.1 . . . . 0.0 110.155 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.42 -40.01 89.28 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.292 -0.88 . . . . 0.0 109.482 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.92 -39.67 86.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.0 110.007 -178.254 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' B' ' 6' ' ' THR . 58.0 mp0 -64.27 -52.61 57.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.347 -0.845 . . . . 0.0 109.71 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.326 0.584 . . . . 0.0 110.282 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.53 -48.89 76.29 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.156 0.979 . . . . 0.0 109.7 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 16.4 p -65.19 -27.92 69.03 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.464 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.24 -46.94 85.03 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.485 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -59.93 -40.06 87.62 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.126 -0.984 . . . . 0.0 109.093 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.87 -39.94 91.1 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.706 0.765 . . . . 0.0 110.144 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 11.8 p -70.59 -46.56 63.21 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.756 -0.59 . . . . 0.0 111.884 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.5 mt -57.04 -39.98 75.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 58.3 mt -78.58 -33.2 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 111.315 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.06 -40.14 88.43 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.164 -1.585 . . . . 0.0 109.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.0 -37.43 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.777 -0.577 . . . . 0.0 111.194 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.5 m-30 -58.18 -52.08 67.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.085 . . . . 0.0 110.573 -178.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.54 -23.88 56.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.485 -0.76 . . . . 0.0 111.485 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.91 -60.9 2.04 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.378 -1.451 . . . . 0.0 110.921 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -66.38 -39.3 89.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.335 -1.478 . . . . 0.0 110.087 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 79.0 p -67.41 -15.65 63.79 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.344 -0.848 . . . . 0.0 111.241 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.45 16.4 57.8 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt . . . . . 0 C--N 1.305 -1.327 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 178.507 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.509 2.505 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -149.36 152.07 35.17 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 119.791 -1.818 . . . . 0.0 110.157 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -95.97 168.16 10.8 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.097 0.951 . . . . 0.0 110.58 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -127.33 159.42 34.46 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -48.02 -39.95 21.33 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.777 -1.202 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -71.74 -29.5 64.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.041 -1.037 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -77.44 -35.28 54.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.358 -1.464 . . . . 0.0 109.961 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.04 -43.8 67.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.731 . . . . 0.0 111.399 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -60.45 -44.66 95.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.65 -1.281 . . . . 0.0 110.858 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.42 -32.58 70.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.58 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -40.09 95.22 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.508 -0.745 . . . . 0.0 112.619 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.12 -38.14 21.09 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.529 -1.357 . . . . 0.0 112.428 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.601 ' NE2' ' N ' ' B' ' 39' ' ' THR . 0.0 OUTLIER -70.08 -48.57 57.18 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.68 -1.263 . . . . 0.0 110.746 -178.175 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.601 ' N ' ' NE2' ' B' ' 38' ' ' GLN . 94.5 m -70.01 -39.96 75.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 112.627 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -106.76 -30.69 8.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.173 -0.954 . . . . 0.0 112.277 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.09 68.26 0.7 Allowed 'General case' 0 N--CA 1.506 2.361 0 CA-C-O 122.279 1.038 . . . . 0.0 109.872 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.651 ' O ' ' N ' ' B' ' 44' ' ' PHE . 12.1 m -81.07 -148.16 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m 48.75 -22.15 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.651 ' N ' ' O ' ' B' ' 42' ' ' SER . 96.5 m-85 -142.04 -60.02 0.46 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.109 -1.619 . . . . 0.0 111.375 -178.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.8 mm? -77.48 132.13 38.27 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.594 -1.316 . . . . 0.0 109.463 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.91 158.97 33.81 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 28.6 m -159.47 -34.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -75.62 -41.95 52.98 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 0.0 112.306 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -69.67 -35.93 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 110.002 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -109.62 104.71 13.78 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.451 -0.781 . . . . 0.0 110.081 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.09 74.06 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.1 76.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.379 -0.826 . . . . 0.0 110.869 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 39.2 t -72.6 -56.92 8.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.134 -0.979 . . . . 0.0 111.959 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.73 -42.99 99.68 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.463 -1.398 . . . . 0.0 111.595 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.97 -40.0 75.65 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 111.316 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.8 mt -77.44 -52.51 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.873 -1.142 . . . . 0.0 110.462 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.465 ' CE ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.99 -47.94 83.75 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.55 -0.719 . . . . 0.0 111.002 -178.11 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -67.83 -38.78 83.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.344 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.53 -17.01 31.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.026 -1.046 . . . . 0.0 109.887 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' B' ' 63' ' ' GLU . 66.2 tp -80.77 -14.37 58.14 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' B' ' 64' ' ' ASN . 12.0 m-20 -94.88 37.25 1.15 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.4 tt0 -35.67 -21.82 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 112.007 -2.36 . . . . 0.0 111.337 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 23.0 t-20 -85.76 -6.62 59.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.604 -1.31 . . . . 0.0 108.802 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.32 29.4 27.76 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.667 ' C ' ' H ' ' B' ' 68' ' ' GLU . 23.4 p-10 -109.87 114.45 28.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.47 15.15 0.05 OUTLIER Glycine 0 C--N 1.285 -2.256 0 C-N-CA 118.153 -1.975 . . . . 0.0 110.718 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.667 ' H ' ' C ' ' B' ' 66' ' ' ASP . 44.2 mt-10 -120.79 141.48 50.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.57 131.17 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.11 -0.993 . . . . 0.0 111.399 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 9.4 t70 -79.75 156.85 27.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.77 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 43.6 p90 -60.16 -39.01 84.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.23 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 54.6 tt0 -60.02 -40.64 90.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.064 -1.023 . . . . 0.0 110.846 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' B' ' 61' ' ' LEU . 37.8 mt-10 -69.23 -39.94 78.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.002 -1.061 . . . . 0.0 110.291 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.456 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 21.0 t80 -62.57 -41.89 99.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.575 -0.703 . . . . 0.0 112.199 -178.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.93 -35.36 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 111.024 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.12 -60.21 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 111.826 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 tp -70.44 -40.22 73.89 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.857 -1.152 . . . . 0.0 112.564 -176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.96 -40.15 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.527 -1.358 . . . . 0.0 110.135 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.43 61.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.173 -0.954 . . . . 0.0 108.981 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.11 65.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.868 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -95.95 -26.41 15.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.245 -0.909 . . . . 0.0 108.903 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.5 OUTLIER -64.39 -55.01 23.91 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.275 -179.177 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.466 ' N ' ' CG2' ' B' ' 82' ' ' THR . 5.4 m -80.08 -34.62 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.691 -1.255 . . . . 0.0 110.709 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.91 92.51 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 110.352 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.55 -40.08 88.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.92 -39.66 86.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.514 -0.741 . . . . 0.0 110.173 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.184 -0.948 . . . . 0.0 110.033 -178.31 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 62.3 m80 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.096 0.474 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.29 -50.13 74.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.111 -0.993 . . . . 0.0 110.641 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.7 tp -70.04 -39.98 75.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.697 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.85 -40.02 95.6 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.883 . . . . 0.0 108.879 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.632 179.808 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 m80 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.045 0.45 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.25 -50.17 74.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.97 . . . . 0.0 110.814 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 58.7 tp -70.0 -40.04 75.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.91 -1.118 . . . . 0.0 110.138 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 108.905 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.662 179.802 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.458 ' O ' ' OG1' ' A' ' 6' ' ' THR . 96.2 mt-10 -60.41 -55.16 36.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 0.0 110.02 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.7 -35.79 75.2 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.849 -1.157 . . . . 0.0 110.003 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.32 -43.86 75.29 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -71.32 -32.01 68.08 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 110.128 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.452 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -57.9 -51.09 71.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.396 -0.815 . . . . 0.0 110.285 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 tpt -60.76 -40.25 91.77 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.014 -1.054 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.35 -40.07 95.14 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.337 -0.852 . . . . 0.0 110.642 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 15.7 p -64.06 -43.56 95.12 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.776 -0.578 . . . . 0.0 109.755 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.06 -40.04 88.08 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.549 -0.719 . . . . 0.0 112.667 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -25.9 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 O-C-N 120.067 -1.646 . . . . 0.0 111.185 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.99 -40.03 95.46 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.298 -1.501 . . . . 0.0 109.84 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -36.08 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.638 -0.664 . . . . 0.0 110.706 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.65 -49.95 75.76 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 110.315 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -76.19 -23.16 54.67 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.567 -0.708 . . . . 0.0 111.226 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.85 -62.72 1.5 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.571 -1.331 . . . . 0.0 111.564 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -64.12 -39.98 95.21 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.67 -1.269 . . . . 0.0 110.959 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 t -66.47 -14.63 62.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.299 -0.876 . . . . 0.0 111.343 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.23 13.42 55.27 Favored Glycine 0 N--CA 1.497 2.745 0 O-C-N 121.28 -0.888 . . . . 0.0 111.308 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp . . . . . 0 N--CA 1.492 1.669 0 O-C-N 120.369 -1.665 . . . . 0.0 108.086 178.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 N--CA 1.5 2.072 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.534 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 1.9 tpmt? -140.58 141.85 35.17 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.05 154.89 17.05 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 122.325 1.06 . . . . 0.0 110.662 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -126.11 160.01 31.3 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -45.06 -42.84 8.97 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.896 -1.128 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.98 -28.76 65.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 111.921 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.0 -39.97 54.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.607 -1.308 . . . . 0.0 108.606 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.362 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 17.0 ptmt -69.98 -32.67 71.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.773 -1.204 . . . . 0.0 112.928 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.81 -35.51 62.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.44 -1.412 . . . . 0.0 109.142 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.51 -37.97 83.58 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.635 -0.666 . . . . 0.0 111.41 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -82.09 -39.86 22.76 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.678 -1.264 . . . . 0.0 112.726 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 34' ' ' LYS . 4.4 pt20 -69.44 -39.98 77.48 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.759 -1.213 . . . . 0.0 110.282 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.4 m -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.356 0.598 . . . . 0.0 110.941 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -89.04 -50.02 6.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.36 -0.838 . . . . 0.0 111.28 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.41 71.55 1.55 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.862 -1.149 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.0 m -81.61 139.32 35.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 83.6 -7.39 1.11 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.753 -0.592 . . . . 0.0 111.313 178.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -105.42 -77.9 0.58 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 mm? -96.04 120.52 36.46 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.67 91.36 3.56 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 122.37 1.081 . . . . 0.0 110.507 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 3.5 m -81.7 -22.46 10.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.988 -178.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.432 ' OE1' ' OE1' ' A' ' 38' ' ' GLN . 26.9 mt-30 -69.36 -60.1 2.56 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.993 -1.067 . . . . 0.0 113.026 -176.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.22 -30.01 64.5 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.937 -1.102 . . . . 0.0 111.814 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -94.91 94.19 7.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.71 -1.244 . . . . 0.0 109.728 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.425 -0.797 . . . . 0.0 110.146 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 32.6 p-10 -59.96 -37.44 79.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 0.0 109.017 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.85 -37.74 87.0 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.777 -0.577 . . . . 0.0 111.363 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 61.8 t -70.04 -56.49 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.957 -1.089 . . . . 0.0 111.829 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 58.7 t0 -64.29 -39.96 94.99 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.591 -1.318 . . . . 0.0 110.876 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -69.91 -40.03 75.83 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.313 -0.867 . . . . 0.0 111.516 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -80.11 -52.48 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.141 -0.974 . . . . 0.0 110.889 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 tpt -60.02 -44.87 94.31 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.492 -0.755 . . . . 0.0 110.825 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -69.95 -37.11 75.74 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.973 -1.079 . . . . 0.0 110.097 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -88.59 -17.52 29.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.026 -1.046 . . . . 0.0 109.823 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.6 ' C ' ' H ' ' A' ' 63' ' ' GLU . 60.6 tp -83.2 -17.73 41.79 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 65' ' ' GLY . 10.5 t0 -92.43 45.55 1.21 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 103.123 -2.917 . . . . 0.0 103.123 173.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.6 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.0 tt0 -39.56 -19.48 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 111.455 -2.611 . . . . 0.0 110.649 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 62' ' ' ASP . 81.8 m-20 -87.72 -0.06 56.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.627 -1.296 . . . . 0.0 108.323 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.07 34.9 91.15 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.838 178.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 4.3 p-10 -102.22 -14.02 17.17 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.9 -1.353 . . . . 0.0 110.54 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.486 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -7.45 69.26 Favored Glycine 0 N--CA 1.501 3.01 0 O-C-N 120.665 -1.272 . . . . 0.0 110.874 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 99.6 mt-10 -118.43 142.19 47.8 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.8 t -102.64 134.0 44.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 110.711 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 92.0 m-20 -82.49 159.83 22.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 54.1 p90 -59.23 -39.57 83.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.0 109.682 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -63.17 -39.94 96.1 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.002 -1.061 . . . . 0.0 110.295 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.94 -40.1 75.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.622 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.424 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 41.5 t80 -69.24 -40.06 78.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.368 -0.832 . . . . 0.0 112.303 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.95 -30.15 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.543 -0.723 . . . . 0.0 111.447 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -73.3 -58.09 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.015 -1.053 . . . . 0.0 111.768 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.03 88.45 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.803 -1.185 . . . . 0.0 112.497 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 19.0 m -68.09 -37.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.514 -1.367 . . . . 0.0 111.317 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -73.22 -23.94 60.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.136 -0.978 . . . . 0.0 110.618 -178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.25 -51.17 26.04 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.348 -1.47 . . . . 0.0 109.732 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -64.19 -41.29 97.15 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.322 -0.862 . . . . 0.0 111.368 -178.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 4.0 t -61.14 -49.36 77.58 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.991 -1.068 . . . . 0.0 110.373 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 82' ' ' THR . 96.0 t -64.29 -37.9 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.018 -1.051 . . . . 0.0 109.907 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.14 66.51 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.716 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.7 m -69.97 -40.07 75.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.785 -1.197 . . . . 0.0 110.087 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.591 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -68.96 -36.45 77.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.083 -1.011 . . . . 0.0 110.078 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.591 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 27.5 t-20 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.018 -1.051 . . . . 0.0 110.472 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.8 mt-10 -60.49 -54.96 39.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.341 -0.85 . . . . 0.0 110.052 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.96 -36.11 76.41 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.869 -1.144 . . . . 0.0 109.925 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.76 -44.22 73.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.2 p -71.22 -30.59 66.54 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.427 -0.796 . . . . 0.0 110.053 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.466 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.77 -50.07 75.24 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.843 . . . . 0.0 110.068 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.68 -40.45 92.19 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.299 -0.875 . . . . 0.0 110.208 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.3 -39.98 95.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.456 -0.777 . . . . 0.0 110.622 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.2 p -64.13 -43.53 94.97 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.03 -40.03 87.93 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.563 -0.711 . . . . 0.0 112.709 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -28.07 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 O-C-N 120.104 -1.623 . . . . 0.0 110.988 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.17 -40.0 94.55 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.527 -1.358 . . . . 0.0 109.819 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.3 -36.29 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.583 -0.698 . . . . 0.0 110.689 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.51 -49.99 75.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.32 -0.862 . . . . 0.0 110.308 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -76.19 -23.41 54.66 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.61 -0.681 . . . . 0.0 111.108 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.59 -62.7 1.49 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.635 -1.291 . . . . 0.0 111.627 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -64.14 -40.0 95.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.642 -1.286 . . . . 0.0 111.039 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -66.41 -14.74 62.59 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.328 -0.858 . . . . 0.0 111.446 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.16 13.53 55.48 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.273 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp . . . . . 0 N--CA 1.493 1.696 0 O-C-N 120.441 -1.623 . . . . 0.0 108.04 178.886 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 N--CA 1.501 2.088 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.533 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 1.9 tpmt? -140.5 142.07 35.29 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.27 154.65 17.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.305 1.05 . . . . 0.0 110.589 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -125.51 160.67 28.94 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -45.74 -43.01 12.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 111.905 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.09 -39.78 54.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.524 -1.36 . . . . 0.0 108.554 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.94 -50.04 75.3 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.403 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.482 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -70.03 -32.74 71.03 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.865 -1.147 . . . . 0.0 112.901 -176.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.55 -35.77 63.1 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.515 -1.366 . . . . 0.0 109.161 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.44 -37.8 83.56 Favored 'General case' 0 C--N 1.29 -2.022 0 O-C-N 121.685 -0.635 . . . . 0.0 111.493 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.33 -39.99 22.05 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.61 -1.306 . . . . 0.0 112.623 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' B' ' 34' ' ' LYS . 4.5 pt20 -69.2 -39.95 78.32 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.686 -1.259 . . . . 0.0 110.306 -178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.1 m -76.12 -45.65 32.7 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.434 0.635 . . . . 0.0 110.889 -177.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -88.98 -50.05 6.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.398 -0.814 . . . . 0.0 111.304 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -100.34 71.59 1.57 Allowed 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.882 -1.136 . . . . 0.0 109.501 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' B' ' 43' ' ' SER . 32.5 m -81.55 139.34 35.15 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 83.51 -7.45 1.13 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.741 -0.599 . . . . 0.0 111.35 178.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.3 -77.85 0.58 Allowed 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -96.25 120.78 37.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.8 91.22 3.52 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.408 1.099 . . . . 0.0 110.467 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.453 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 3.4 m -81.49 -22.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.071 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' B' ' 38' ' ' GLN . 27.0 mt-30 -69.26 -60.09 2.57 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 113.041 -176.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.16 -29.95 64.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.97 -1.081 . . . . 0.0 111.886 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.94 94.18 7.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.647 -1.283 . . . . 0.0 109.641 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.473 -0.767 . . . . 0.0 110.157 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 32.5 p-10 -60.03 -37.36 79.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.002 . . . . 0.0 108.983 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.86 -34.82 78.64 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.734 -0.603 . . . . 0.0 111.818 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 58.7 t -72.34 -56.41 10.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.907 -1.121 . . . . 0.0 111.7 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 59.2 t0 -64.1 -40.03 95.33 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 120.564 -1.335 . . . . 0.0 110.777 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -70.08 -39.9 75.33 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 111.616 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.8 mt -80.02 -52.56 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.018 . . . . 0.0 110.708 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -60.04 -44.64 94.52 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.539 -0.726 . . . . 0.0 110.855 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -70.11 -36.93 75.19 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.944 -1.098 . . . . 0.0 110.037 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.69 -17.64 29.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.976 -1.078 . . . . 0.0 109.801 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.588 ' C ' ' H ' ' B' ' 63' ' ' GLU . 61.0 tp -83.16 -17.69 42.02 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 10.3 t0 -92.49 45.37 1.19 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 173.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.588 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.1 tt0 -39.43 -19.44 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 111.495 -2.593 . . . . 0.0 110.665 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 62' ' ' ASP . 81.7 m-20 -87.69 -0.02 56.32 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.598 -1.314 . . . . 0.0 108.347 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.66 33.35 87.0 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.014 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.4 p-10 -101.26 -13.79 17.93 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.828 -1.395 . . . . 0.0 110.542 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.472 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.17 -7.2 68.16 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.676 -1.265 . . . . 0.0 110.835 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.586 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 99.9 mt-10 -118.5 142.15 47.87 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -101.84 134.32 42.7 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.149 0 O-C-N 120.916 -1.115 . . . . 0.0 110.833 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.533 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 92.3 m-20 -82.73 159.78 22.48 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.0 p90 -59.23 -39.85 84.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 0.0 109.646 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -62.84 -39.94 95.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.04 -1.037 . . . . 0.0 110.303 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.761 -1.212 . . . . 0.0 110.658 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.434 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 41.0 t80 -69.36 -39.97 77.76 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.297 -0.877 . . . . 0.0 112.364 -178.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.0 -30.05 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 111.515 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -73.38 -57.96 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 111.826 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.71 -40.02 88.27 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.834 -1.166 . . . . 0.0 112.435 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 18.4 m -68.33 -37.76 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.491 -1.381 . . . . 0.0 111.269 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.415 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -73.36 -23.68 60.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.185 -0.947 . . . . 0.0 110.696 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -55.66 8.71 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.215 -1.553 . . . . 0.0 108.761 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -59.96 -42.45 94.12 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.67 -0.644 . . . . 0.0 111.562 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 4.0 t -60.76 -49.63 76.73 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.845 -1.159 . . . . 0.0 110.516 -178.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' B' ' 82' ' ' THR . 93.9 t -64.06 -37.62 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.012 -1.055 . . . . 0.0 109.854 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.14 -28.1 66.15 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.755 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.04 -39.97 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.771 -1.206 . . . . 0.0 110.078 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' B' ' 87' ' ' ASN . 0.6 OUTLIER -68.9 -36.45 78.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.107 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.586 ' N ' ' ND2' ' B' ' 86' ' ' ASN . 27.2 t-20 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.53 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 58.6 t60 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -59.93 -48.83 80.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.494 -0.754 . . . . 0.0 109.173 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.43 -49.87 75.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.121 -0.987 . . . . 0.0 110.832 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -66.76 -40.22 88.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.819 -1.176 . . . . 0.0 109.091 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.486 1.348 0 O-C-N 121.151 -0.968 . . . . 0.0 108.831 179.508 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 t60 . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -59.94 -48.93 79.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.575 -0.703 . . . . 0.0 109.276 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 tp -60.19 -49.99 75.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 0.0 110.767 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.9 -40.06 87.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.867 -1.146 . . . . 0.0 109.075 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.303 -1.414 0 O-C-N 121.17 -0.956 . . . . 0.0 108.725 179.541 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 N--CA 1.498 1.925 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 6' ' ' THR . 43.9 mt-10 -66.72 -53.52 32.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 110.702 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.342 -0.849 . . . . 0.0 110.341 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -54.24 -48.63 70.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.046 -1.034 . . . . 0.0 109.18 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 21.7 p -64.6 -30.62 71.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.765 -0.585 . . . . 0.0 110.684 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -59.09 -49.9 76.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.355 -0.84 . . . . 0.0 110.87 -177.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.48 ' SD ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.99 -40.08 87.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.34 -1.475 . . . . 0.0 109.085 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.43 -39.93 92.61 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.667 0.746 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 7.8 p -67.76 -45.52 74.68 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.672 -0.643 . . . . 0.0 111.248 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.99 -44.11 94.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 110.754 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . 0.48 ' CD1' ' SD ' ' A' ' 8' ' ' MET . 51.2 mt -72.9 -30.95 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 111.64 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' OE1' ' B' ' 3' ' ' GLU . 0.4 OUTLIER -60.99 -39.82 91.12 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.253 -1.529 . . . . 0.0 108.854 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -35.45 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -59.96 -48.1 83.1 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.589 -1.319 . . . . 0.0 110.548 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -78.82 -22.88 45.53 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.646 -0.659 . . . . 0.0 112.043 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.38 -57.98 3.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.462 -1.399 . . . . 0.0 111.787 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -77.33 -28.57 53.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.161 -1.587 . . . . 0.0 111.401 -178.152 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.539 ' N ' ' CD2' ' A' ' 18' ' ' HIS . 68.2 m -67.12 -3.84 8.57 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.699 -1.251 . . . . 0.0 110.191 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.15 16.52 42.22 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 N--CA 1.487 1.412 0 O-C-N 121.293 -1.122 . . . . 0.0 109.427 178.863 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 p90 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -137.24 143.73 42.41 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.138 -1.601 . . . . 0.0 108.976 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.9 mm? -97.79 156.86 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.115 0.959 . . . . 0.0 111.214 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -131.04 162.47 29.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -46.38 -39.98 11.25 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.06 -1.025 . . . . 0.0 111.775 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.34 -25.07 59.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.52 -1.363 . . . . 0.0 112.046 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -80.61 -34.1 35.35 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.356 -1.465 . . . . 0.0 111.499 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 pp -75.02 -35.26 61.97 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.796 -1.19 . . . . 0.0 109.743 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.29 -40.92 92.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.047 -1.033 . . . . 0.0 111.267 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.65 -26.45 41.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.705 -1.247 . . . . 0.0 110.948 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.68 -38.92 92.95 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.993 -1.067 . . . . 0.0 111.231 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.33 -33.94 23.79 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -0.987 . . . . 0.0 112.901 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.518 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 2.6 pp0? -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.533 -1.354 . . . . 0.0 109.815 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.518 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 8.4 m -80.28 -50.01 10.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 111.678 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -88.23 -56.62 3.25 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.267 -0.896 . . . . 0.0 111.977 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.64 73.55 1.62 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.147 -0.971 . . . . 0.0 109.763 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -82.64 -19.99 37.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.633 -0.667 . . . . 0.0 111.928 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.5 m -107.24 3.35 25.44 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.889 -1.132 . . . . 0.0 111.437 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.27 -85.74 0.61 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.076 -1.015 . . . . 0.0 109.103 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.9 135.05 56.23 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 20.9 p-10 -118.41 148.96 42.01 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 4.2 m -151.2 -36.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.662 -1.606 . . . . 0.0 106.662 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -83.71 -31.4 26.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.791 -0.568 . . . . 0.0 110.365 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -60.05 -41.79 93.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.204 -0.935 . . . . 0.0 110.861 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.13 111.9 13.41 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 110.23 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.07 -39.93 87.77 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.27 87.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.433 -0.792 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 54.6 t -70.08 -56.99 9.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.979 . . . . 0.0 111.96 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 48.4 t0 -62.16 -39.94 94.33 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 120.513 -1.367 . . . . 0.0 110.834 -177.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -69.58 -39.93 77.04 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.303 -0.873 . . . . 0.0 111.385 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.8 mt -80.86 -53.73 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.206 -0.933 . . . . 0.0 110.438 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.9 tpt -60.12 -46.95 87.92 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.657 -0.652 . . . . 0.0 111.77 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.92 -36.68 78.27 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.727 -1.233 . . . . 0.0 109.783 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -87.58 -16.99 33.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.046 -1.034 . . . . 0.0 109.451 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.643 ' C ' ' H ' ' A' ' 63' ' ' GLU . 66.2 tp -86.69 -21.21 26.8 Favored 'General case' 0 N--CA 1.506 2.37 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 65' ' ' GLY . 35.4 t0 -89.78 48.61 1.61 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.643 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.9 pt-20 -40.7 -16.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 111.02 -2.809 . . . . 0.0 110.638 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 62' ' ' ASP . 23.8 m120 -87.47 4.9 41.55 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 54.52 38.62 63.58 Favored Glycine 0 N--CA 1.494 2.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.777 178.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.2 p30 -104.2 -10.49 17.87 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.909 -1.348 . . . . 0.0 110.679 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.05 -6.63 66.24 Favored Glycine 0 N--CA 1.502 3.06 0 O-C-N 120.649 -1.282 . . . . 0.0 110.861 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.5 mt-10 -120.31 143.4 48.38 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -103.04 132.71 48.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.115 -0.991 . . . . 0.0 111.758 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.05 155.2 27.68 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -59.98 -39.96 87.49 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.861 -1.149 . . . . 0.0 109.57 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.4 -39.73 88.43 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.207 -0.933 . . . . 0.0 111.155 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.44 -40.05 81.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.482 -1.386 . . . . 0.0 110.548 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.82 -49.89 68.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.398 -0.814 . . . . 0.0 111.913 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -60.1 -38.03 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.147 -0.97 . . . . 0.0 112.046 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.19 -60.03 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.876 -1.14 . . . . 0.0 111.889 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -69.42 -44.7 70.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.153 -0.967 . . . . 0.0 111.565 -176.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.78 -39.97 86.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.066 -1.021 . . . . 0.0 111.056 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.42 -23.3 62.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.95 -26.99 64.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.748 . . . . 0.0 110.402 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.5 mt -86.47 -40.6 15.15 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -45.15 90.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.487 -1.383 . . . . 0.0 109.104 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 9.8 p -70.27 -43.25 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.481 -0.762 . . . . 0.0 110.252 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.454 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.99 -32.92 73.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.413 -0.805 . . . . 0.0 110.407 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.372 -0.83 . . . . 0.0 109.236 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.06 -39.41 85.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.5 -0.75 . . . . 0.0 109.443 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.677 -179.562 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.483 ' O ' ' OG1' ' B' ' 6' ' ' THR . 43.6 mt-10 -66.42 -53.71 32.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.0 110.69 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.2 tp -60.05 -39.97 87.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.244 -0.91 . . . . 0.0 110.513 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.42 -48.19 71.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.082 . . . . 0.0 109.069 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 20.9 p -65.13 -29.5 70.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.68 -0.638 . . . . 0.0 110.517 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.476 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.99 -49.51 77.38 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.742 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.578 -1.326 . . . . 0.0 108.981 -179.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.45 -39.98 92.82 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.718 0.77 . . . . 0.0 110.235 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 7.8 p -67.63 -45.65 74.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.646 -0.659 . . . . 0.0 111.265 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 mt -59.83 -44.34 94.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.857 . . . . 0.0 110.936 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . 0.458 ' CD1' ' SD ' ' B' ' 8' ' ' MET . 51.1 mt -71.8 -32.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.202 -0.936 . . . . 0.0 111.418 -178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' OE1' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 120.57 -1.331 . . . . 0.0 108.551 -179.243 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -79.91 -35.35 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.367 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -60.1 -47.88 84.06 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.569 -1.332 . . . . 0.0 110.483 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -79.05 -22.78 44.87 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.67 -0.644 . . . . 0.0 111.929 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.46 -58.1 3.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.459 -1.401 . . . . 0.0 111.723 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' B' ' 19' ' ' SER . 0.3 OUTLIER -77.12 -28.85 54.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.142 -1.599 . . . . 0.0 111.456 -178.33 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.543 ' N ' ' CD2' ' B' ' 18' ' ' HIS . 69.8 m -66.98 -3.63 7.61 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.749 -1.219 . . . . 0.0 110.184 -178.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.2 16.36 42.21 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 C--N 1.304 -1.393 0 O-C-N 121.321 -1.105 . . . . 0.0 109.49 179.015 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 p90 . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -137.06 143.87 42.86 Favored 'General case' 0 N--CA 1.51 2.532 0 O-C-N 120.272 -1.518 . . . . 0.0 108.954 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -98.02 156.66 16.53 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.074 0.94 . . . . 0.0 111.218 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -130.85 162.12 30.31 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -45.87 -39.99 9.35 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.076 -1.015 . . . . 0.0 111.767 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.78 -24.72 58.71 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.451 -1.406 . . . . 0.0 112.018 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -80.66 -33.98 35.16 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.384 -1.448 . . . . 0.0 111.509 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 pp -75.03 -35.53 61.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.819 -1.176 . . . . 0.0 109.73 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.13 -40.81 91.06 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.062 -1.024 . . . . 0.0 111.305 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 54.1 t0 -79.8 -26.24 40.62 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.766 -1.209 . . . . 0.0 110.863 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.409 ' HB2' ' CE1' ' B' ' 18' ' ' HIS . 62.3 tp -63.94 -38.78 92.34 Favored 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.042 -1.037 . . . . 0.0 111.313 -178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -84.26 -34.48 23.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.012 -1.055 . . . . 0.0 112.8 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.521 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 2.6 pp0? -69.39 -29.88 67.73 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.494 -1.379 . . . . 0.0 109.766 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.521 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 8.9 m -80.31 -50.13 10.6 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.663 -0.648 . . . . 0.0 111.684 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -88.23 -56.75 3.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 111.936 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -100.41 73.74 1.68 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.139 -0.975 . . . . 0.0 109.797 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -82.86 -19.82 36.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.637 -0.664 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -107.52 3.81 25.4 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.951 -1.093 . . . . 0.0 111.344 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.43 -85.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.111 -0.993 . . . . 0.0 109.056 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.79 135.12 56.38 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 20.9 p-10 -118.57 148.91 42.18 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 4.1 m -151.27 -36.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -83.4 -31.45 26.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.643 -0.661 . . . . 0.0 110.297 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -60.06 -41.65 92.83 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.251 -0.905 . . . . 0.0 110.774 -177.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -129.49 111.55 12.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.392 -0.818 . . . . 0.0 110.21 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -28.86 69.86 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -59.99 -40.05 87.83 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.97 81.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.595 -0.691 . . . . 0.0 111.314 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 48.2 t -71.99 -56.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 111.814 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 48.9 t0 -62.2 -40.04 94.75 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.567 -1.333 . . . . 0.0 110.709 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.58 -39.85 77.06 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.359 -0.838 . . . . 0.0 111.456 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 61' ' ' LEU . 83.1 mt -80.83 -53.96 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.174 -0.954 . . . . 0.0 110.452 -177.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.0 tpt -59.98 -46.47 89.34 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.666 -0.646 . . . . 0.0 111.777 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.37 -36.46 76.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.648 -1.282 . . . . 0.0 109.848 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -87.66 -17.13 32.53 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.647 ' C ' ' H ' ' B' ' 63' ' ' GLU . 65.9 tp -86.49 -21.61 26.9 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' B' ' 65' ' ' GLY . 35.3 t0 -89.51 48.83 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.647 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.9 pt-20 -40.91 -16.78 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 110.912 -2.858 . . . . 0.0 110.636 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 62' ' ' ASP . 24.1 m120 -87.38 4.88 41.36 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 55.14 37.11 62.95 Favored Glycine 0 N--CA 1.494 2.554 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.854 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -103.06 -10.56 18.8 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.872 -1.369 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 81.67 -6.06 67.0 Favored Glycine 0 N--CA 1.499 2.839 0 O-C-N 120.68 -1.262 . . . . 0.0 110.682 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.59 142.82 49.03 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.49 132.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 O-C-N 120.981 -1.074 . . . . 0.0 112.122 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -80.08 155.16 27.66 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -59.9 -40.17 87.89 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.782 -1.199 . . . . 0.0 109.477 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.42 -39.69 88.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.262 -0.899 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.53 -39.91 80.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.477 -1.389 . . . . 0.0 110.65 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -64.74 -50.03 68.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.401 -0.812 . . . . 0.0 111.728 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -59.95 -38.27 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.116 -0.99 . . . . 0.0 112.124 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.06 -60.17 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.853 -1.154 . . . . 0.0 111.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -69.2 -44.78 71.43 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.077 -1.015 . . . . 0.0 111.473 -176.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t -65.62 -39.97 86.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.195 -0.941 . . . . 0.0 111.33 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.31 -23.36 62.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -21.28 61.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.516 -0.74 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.6 mt -91.39 -39.99 11.69 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.746 -1.221 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -44.66 91.62 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 118.15 -1.42 . . . . 0.0 109.016 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 9.8 p -70.65 -43.65 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.412 -0.805 . . . . 0.0 110.138 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.466 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -61.62 -33.05 73.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 110.307 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.4 t -61.85 -39.85 93.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.226 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.87 -39.59 85.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.453 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 109.66 -179.37 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.114 0.483 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.41 ' CB ' ' HZ3' ' C' ' 7' ' ' LYS . 7.4 ttpm? -60.01 -49.89 75.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.0 110.161 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.06 -50.04 75.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 0.0 110.999 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 42.6 mt -68.84 -39.93 79.7 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.149 -0.969 . . . . 0.0 109.558 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.031 -1.043 . . . . 0.0 110.031 -179.804 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.035 0.445 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . 0.536 ' HZ2' ' CB ' ' D' ' 7' ' ' LYS . 7.3 ttpm? -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.027 -1.045 . . . . 0.0 110.017 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 42.2 tp -60.08 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 0.0 111.0 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.73 -40.02 80.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.0 109.508 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 0.0 110.119 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -68.84 -53.15 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.495 -0.753 . . . . 0.0 109.941 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.3 tp -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-O 121.524 0.678 . . . . 0.0 110.129 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -56.56 -48.43 77.34 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.376 1.084 . . . . 0.0 108.897 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -26.01 67.98 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -59.32 -48.61 80.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.026 -1.046 . . . . 0.0 109.779 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttt -60.01 -40.01 87.81 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.253 -0.905 . . . . 0.0 110.09 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.99 -39.97 94.04 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.335 -0.853 . . . . 0.0 110.501 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 17.3 p -71.61 -45.58 61.71 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.402 0.62 . . . . 0.0 112.152 -177.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 54.3 mt -59.96 -42.2 93.59 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.535 -0.728 . . . . 0.0 111.806 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -80.28 -27.27 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.082 -1.011 . . . . 0.0 111.479 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.27 85.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.289 -1.507 . . . . 0.0 108.351 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -78.68 -35.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.324 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 17.8 m-30 -60.04 -51.04 71.32 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.942 -1.099 . . . . 0.0 110.964 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -79.19 -26.5 42.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.477 -0.765 . . . . 0.0 111.921 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.04 2.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.388 -1.445 . . . . 0.0 110.539 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.1 m80 -66.54 -38.27 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.849 -1.157 . . . . 0.0 110.472 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 t -64.9 -12.57 50.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.097 -1.002 . . . . 0.0 111.768 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.71 14.58 60.36 Favored Glycine 0 N--CA 1.498 2.818 0 O-C-N 121.267 -0.895 . . . . 0.0 111.005 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.385 . . . . 0.0 109.229 179.121 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.921 0.867 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.3 144.85 30.98 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 4.2 mm? -96.38 149.34 21.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.789 -1.194 . . . . 0.0 110.284 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 56.4 m -124.5 160.77 27.54 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -48.83 -44.54 39.52 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.557 -1.34 . . . . 0.0 110.657 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -68.14 -28.97 67.77 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.546 -1.346 . . . . 0.0 111.594 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.406 ' HB2' ' H ' ' A' ' 29' ' ' SER . 85.1 mt-10 -78.36 -36.25 46.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.674 -1.266 . . . . 0.0 108.725 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.0 -49.99 75.5 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.712 -0.618 . . . . 0.0 112.232 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HZ1' ' HA ' ' A' ' 54' ' ' VAL . 18.0 mmtt -67.63 -41.76 83.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.82 -1.175 . . . . 0.0 112.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.06 -30.01 69.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 108.723 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 48.0 tp -60.02 -39.33 85.45 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 41' ' ' LEU . 57.6 mt -83.04 -41.6 18.46 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 120.231 -1.543 . . . . 0.0 112.12 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.06 -16.21 53.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.727 -1.233 . . . . 0.0 111.348 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.2 m -90.36 -28.48 18.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.416 -1.427 . . . . 0.0 109.369 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mp0 -109.86 -39.46 5.07 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mt -102.22 136.18 42.52 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.284 1.04 . . . . 0.0 108.447 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.0 m -50.52 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.357 -0.84 . . . . 0.0 111.198 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 m -161.38 42.25 0.15 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 0.0 110.684 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.98 -40.0 48.39 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.85 128.73 41.81 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -98.26 146.69 25.39 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.131 -0.98 . . . . 0.0 109.218 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -151.0 -33.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -79.99 -68.53 0.66 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.361 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.624 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.01 -38.94 84.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.979 -1.075 . . . . 0.0 110.761 -178.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.06 90.24 5.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.613 -1.305 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.19 69.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.368 -0.832 . . . . 0.0 109.338 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.92 -38.4 82.22 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.51 91.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.615 -0.678 . . . . 0.0 110.825 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.435 ' HA ' ' HZ1' ' A' ' 34' ' ' LYS . 67.4 t -69.37 -55.87 13.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.897 -1.127 . . . . 0.0 112.294 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.95 -39.97 90.93 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.631 -1.293 . . . . 0.0 110.819 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -69.25 -39.96 78.16 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.275 -0.89 . . . . 0.0 111.061 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -78.59 -54.18 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 110.466 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.9 tpt -59.99 -43.54 95.1 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.781 -0.574 . . . . 0.0 112.159 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -68.98 -36.17 77.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.798 -1.189 . . . . 0.0 110.083 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -92.14 -25.86 18.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.03 -1.044 . . . . 0.0 109.724 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.649 ' C ' ' H ' ' A' ' 63' ' ' GLU . 64.1 tp -69.97 -36.08 74.94 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 8.2 t70 -76.7 54.53 0.98 Allowed 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 174.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.649 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.1 tp10 -48.69 -22.13 0.73 Allowed 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 111.395 -2.639 . . . . 0.0 110.448 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -85.13 -0.08 53.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.631 -1.293 . . . . 0.0 107.777 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.34 31.87 78.82 Favored Glycine 0 N--CA 1.495 2.617 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.912 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.573 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 9.7 p-10 -97.81 -12.35 22.31 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.897 -1.355 . . . . 0.0 109.842 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.533 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -6.03 75.49 Favored Glycine 0 N--CA 1.498 2.78 0 O-C-N 120.759 -1.213 . . . . 0.0 110.275 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.545 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.0 mt-10 -120.15 143.14 48.36 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -101.86 131.23 50.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 CA-C-O 122.168 0.985 . . . . 0.0 111.0 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.0 152.94 32.83 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.12 71.27 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.548 -1.345 . . . . 0.0 108.863 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.04 -39.95 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.428 -1.42 . . . . 0.0 109.652 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 26.0 t80 -61.31 -40.06 92.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.729 -0.607 . . . . 0.0 112.345 -178.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -71.97 -32.98 46.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 O-C-N 121.131 -0.98 . . . . 0.0 110.88 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.73 -59.62 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.09 -1.006 . . . . 0.0 112.106 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.47 -41.66 69.1 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.656 -1.277 . . . . 0.0 112.96 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.98 -40.18 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.491 -1.381 . . . . 0.0 110.906 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.13 -25.57 59.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.325 -0.859 . . . . 0.0 108.809 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -31.32 71.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.465 -0.772 . . . . 0.0 110.214 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.1 mt -90.72 -29.0 17.94 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.144 -0.973 . . . . 0.0 110.49 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.581 ' HG1' ' H ' ' A' ' 83' ' ' VAL . 37.1 p -60.82 -54.75 41.35 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.092 -1.005 . . . . 0.0 110.629 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.581 ' H ' ' HG1' ' A' ' 82' ' ' THR . 20.1 m -80.68 -33.28 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.768 -1.207 . . . . 0.0 111.031 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.998 -1.064 . . . . 0.0 110.764 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 82' ' ' THR . 22.2 p -68.84 -39.06 80.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.107 -0.995 . . . . 0.0 108.724 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.88 -36.44 76.93 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.543 -0.723 . . . . 0.0 109.529 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.692 -179.234 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -68.78 -53.46 21.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.511 -0.743 . . . . 0.0 109.883 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.402 0.62 . . . . 0.0 109.967 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -56.43 -48.58 76.71 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.415 1.102 . . . . 0.0 108.932 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -25.47 67.83 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.438 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -60.01 -48.26 82.44 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.668 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.397 -0.814 . . . . 0.0 109.999 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.77 -40.03 93.72 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.973 0.892 . . . . 0.0 110.363 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.8 p -71.59 -45.57 61.8 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.419 0.628 . . . . 0.0 112.297 -177.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.436 ' H ' ' HG1' ' B' ' 10' ' ' THR . 50.5 mt -60.05 -41.52 92.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.715 . . . . 0.0 111.864 -178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mt -79.91 -29.72 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.126 -0.984 . . . . 0.0 111.026 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.66 -38.95 79.25 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.518 -1.364 . . . . 0.0 108.127 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.2 -35.18 17.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.361 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 17.9 m-30 -60.02 -51.08 71.2 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.881 -1.137 . . . . 0.0 110.9 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -79.39 -26.09 42.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 111.958 -177.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.97 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.325 -1.485 . . . . 0.0 110.483 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . 0.529 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 76.5 m80 -66.56 -38.44 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.827 -1.171 . . . . 0.0 110.447 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -64.89 -12.08 44.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.232 -0.917 . . . . 0.0 111.756 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 13.9 60.23 Favored Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.299 -0.875 . . . . 0.0 111.006 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 120.712 -1.463 . . . . 0.0 109.532 179.183 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.818 0.818 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.54 144.89 30.79 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 176.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 4.2 mm? -96.34 149.07 22.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.747 -1.22 . . . . 0.0 110.331 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.416 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 55.2 m -124.23 160.62 27.54 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -48.84 -44.17 39.3 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.673 -1.267 . . . . 0.0 110.74 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.44 -27.67 65.45 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.545 -1.347 . . . . 0.0 111.382 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.416 ' HB2' ' H ' ' B' ' 29' ' ' SER . 85.6 mt-10 -78.47 -36.41 45.29 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 108.78 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.12 -50.02 75.33 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.591 -0.693 . . . . 0.0 112.122 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -67.21 -41.96 84.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.821 -1.175 . . . . 0.0 111.978 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' B' ' 39' ' ' THR . 13.3 t70 -68.23 -29.8 68.71 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.8 -1.187 . . . . 0.0 108.768 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.6 tp -60.11 -39.49 86.41 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.739 -0.6 . . . . 0.0 112.531 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 41' ' ' LEU . 57.5 mt -83.35 -39.8 20.27 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.279 -1.513 . . . . 0.0 112.594 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -82.74 -16.06 49.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.242 -1.536 . . . . 0.0 111.266 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 31.9 m -90.02 -28.64 18.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.547 -1.345 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.529 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 12.8 mp0 -109.83 -39.33 5.12 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 37' ' ' LEU . 1.8 mt -102.33 136.18 42.62 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 122.244 1.021 . . . . 0.0 108.472 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.9 m -50.37 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.919 0 O-C-N 121.392 -0.817 . . . . 0.0 111.033 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m -161.13 42.69 0.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 110.684 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -77.04 -39.98 48.06 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.07 128.26 41.76 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 34.0 p-10 -97.96 146.66 25.26 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 121.207 -0.933 . . . . 0.0 109.192 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.04 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.94 -68.45 0.67 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.197 -0.939 . . . . 0.0 110.38 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.611 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.08 -38.96 84.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.004 -1.06 . . . . 0.0 110.784 -178.795 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -95.07 90.12 5.81 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.68 -1.263 . . . . 0.0 109.628 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.2 -32.9 69.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.904 . . . . 0.0 109.49 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.96 -38.32 82.16 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.06 82.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.593 -0.692 . . . . 0.0 111.245 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 63.9 t -71.04 -55.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.908 -1.12 . . . . 0.0 112.105 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.93 -39.97 90.98 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.69 -1.256 . . . . 0.0 110.925 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -69.24 -40.06 78.11 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.271 -0.893 . . . . 0.0 111.029 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.4 mt -78.46 -54.19 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-O 121.753 0.787 . . . . 0.0 110.495 -176.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.1 tpt -59.99 -43.68 95.0 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.729 -0.607 . . . . 0.0 112.177 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.94 -35.87 77.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.859 -1.15 . . . . 0.0 110.183 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -92.48 -25.69 18.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 109.702 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.661 ' C ' ' H ' ' B' ' 63' ' ' GLU . 64.4 tp -69.99 -36.25 75.03 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.583 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 8.3 t70 -76.64 54.62 0.97 Allowed 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.661 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.2 tp10 -48.65 -22.28 0.75 Allowed 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 111.285 -2.689 . . . . 0.0 110.327 -177.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -85.18 0.01 53.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.623 -1.298 . . . . 0.0 107.806 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.23 32.0 79.07 Favored Glycine 0 N--CA 1.495 2.625 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.921 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.583 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 9.6 p-10 -97.61 -12.91 21.94 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.997 -1.296 . . . . 0.0 109.725 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.544 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.97 -5.86 77.52 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.0 mt-10 -120.26 142.94 48.6 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -101.28 131.09 49.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 CA-C-O 122.275 1.036 . . . . 0.0 111.137 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.85 152.81 33.2 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -36.25 71.4 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.527 -1.358 . . . . 0.0 108.91 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.05 -39.94 87.73 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.195 -0.941 . . . . 0.0 110.892 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.6 -39.93 80.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.449 -1.407 . . . . 0.0 109.633 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 26.3 t80 -61.4 -39.97 92.68 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.727 -0.608 . . . . 0.0 112.439 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 p -71.6 -33.84 50.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 121.131 -0.981 . . . . 0.0 110.944 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.2 -59.82 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 111.977 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.18 -41.8 69.86 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.664 -1.273 . . . . 0.0 112.98 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.2 t -70.12 -40.05 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.487 -1.383 . . . . 0.0 110.934 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.95 60.37 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.865 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.56 -23.72 67.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.514 -0.742 . . . . 0.0 111.067 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.0 mt -96.04 -28.98 14.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.002 -1.061 . . . . 0.0 109.783 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 35.3 p -61.01 -54.52 43.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.351 -0.843 . . . . 0.0 110.558 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.04 -33.56 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.839 -1.163 . . . . 0.0 110.916 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.044 -1.035 . . . . 0.0 110.826 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 82' ' ' THR . 23.0 p -68.87 -38.9 80.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.025 -1.047 . . . . 0.0 108.678 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.92 -36.39 76.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.568 -0.708 . . . . 0.0 109.487 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.566 -179.18 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' C' ' 10' ' ' SER . 82.6 t60 . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.428 ' HZ3' ' C ' ' A' ' 52' ' ' ASP . 10.4 tmtt? -60.07 -49.92 75.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.142 -0.974 . . . . 0.0 110.246 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.92 -50.05 70.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.104 -0.998 . . . . 0.0 110.314 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.9 mp -69.98 -39.96 75.64 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.63 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 6' ' ' HIS . 44.2 t . . . . . 0 N--CA 1.494 1.752 0 O-C-N 120.959 -1.088 . . . . 0.0 109.532 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . 0.419 ' O ' ' CB ' ' D' ' 10' ' ' SER . 83.2 t60 . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.89 -49.95 70.67 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.029 -1.044 . . . . 0.0 110.312 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.4 mp -70.04 -39.96 75.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' D' ' 6' ' ' HIS . 45.1 t . . . . . 0 N--CA 1.493 1.714 0 O-C-N 120.936 -1.102 . . . . 0.0 109.498 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.6 mp0 -64.07 -53.06 55.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.311 -0.868 . . . . 0.0 110.469 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp -59.63 -39.04 83.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.461 -0.774 . . . . 0.0 110.476 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -54.92 -48.81 72.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.199 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 39.9 p -64.35 -33.81 76.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.757 -0.589 . . . . 0.0 110.623 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.454 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.77 -49.48 70.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -177.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.446 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 12.6 ttt -59.89 -39.75 86.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.592 -1.317 . . . . 0.0 109.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.51 -39.91 89.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.773 . . . . 0.0 110.329 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 23.1 p -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.642 -0.661 . . . . 0.0 111.914 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.03 -40.07 88.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.873 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.08 -29.83 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.426 -0.796 . . . . 0.0 111.567 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.55 -39.99 93.1 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.381 -1.449 . . . . 0.0 108.605 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -82.06 -36.81 14.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.379 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -59.92 -50.23 74.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 0.0 111.133 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -74.99 -24.16 58.38 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.726 -0.609 . . . . 0.0 110.766 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 -59.39 2.81 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.787 -1.195 . . . . 0.0 110.98 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.52 -39.96 77.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.377 -1.452 . . . . 0.0 111.318 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.15 -16.5 64.36 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.973 -1.08 . . . . 0.0 111.477 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.14 12.0 70.77 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 N--CA 1.49 1.527 0 O-C-N 120.657 -1.496 . . . . 0.0 107.28 178.364 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 120.711 0.291 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -94.47 141.56 28.45 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.79 158.6 15.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.834 -1.167 . . . . 0.0 110.591 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.508 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.0 t -130.75 163.82 26.45 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -46.89 -39.93 13.11 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.099 -1.001 . . . . 0.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -81.66 -26.26 34.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.569 -1.332 . . . . 0.0 112.365 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.508 ' HB2' ' H ' ' A' ' 29' ' ' SER . 35.9 mt-10 -76.79 -31.42 56.98 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.355 -1.465 . . . . 0.0 110.275 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.47 -34.15 25.45 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.017 -1.052 . . . . 0.0 110.228 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -61.78 -40.98 97.09 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.025 -1.047 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -78.28 -31.45 48.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.197 -0.94 . . . . 0.0 110.144 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -64.53 -39.81 94.44 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.419 -0.801 . . . . 0.0 112.642 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -82.94 -39.02 21.98 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.859 -1.15 . . . . 0.0 112.657 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.3 pt20 -67.51 -40.0 85.14 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.82 -1.175 . . . . 0.0 110.339 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 20.9 m -81.89 -65.12 1.05 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.724 0.773 . . . . 0.0 112.161 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.97 -40.68 75.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.92 34.57 2.25 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 120.802 -1.186 . . . . 0.0 110.493 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 43' ' ' SER . 43.2 m -50.8 133.73 25.98 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 157.19 -47.66 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 CA-C-N 119.068 0.849 . . . . 0.0 110.679 179.275 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 67.4 t80 -160.96 -34.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 110.76 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 mm? -58.91 129.51 42.51 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -111.14 144.34 40.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.822 -1.174 . . . . 0.0 108.484 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 1.9 m -152.43 -30.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 38' ' ' GLN . 69.0 mm-40 -80.01 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.864 -1.147 . . . . 0.0 111.338 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.86 -31.13 70.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 0.0 110.983 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.32 91.35 6.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.928 -1.108 . . . . 0.0 109.739 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.84 77.04 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.785 . . . . 0.0 109.344 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' HZ3' ' C' ' 7' ' ' LYS . 98.0 m-20 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.89 94.24 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.518 -0.738 . . . . 0.0 111.716 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 96.9 t -69.5 -56.32 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.809 -1.182 . . . . 0.0 111.974 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.08 -40.0 95.28 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.534 -1.354 . . . . 0.0 110.723 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.7 -39.97 73.13 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.225 -0.922 . . . . 0.0 111.805 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.5 mt -76.98 -54.72 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.097 -1.002 . . . . 0.0 109.847 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.425 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 5.5 tpt -60.02 -47.3 86.39 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.54 -0.725 . . . . 0.0 111.464 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.18 -39.94 90.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.153 -0.967 . . . . 0.0 110.138 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.99 -16.58 33.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.092 -1.005 . . . . 0.0 109.538 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.6 ' C ' ' H ' ' A' ' 63' ' ' GLU . 63.7 tp -85.2 -18.57 33.66 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 65' ' ' GLY . 17.0 t0 -91.26 45.93 1.27 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.6 ' H ' ' C ' ' A' ' 61' ' ' LEU . 51.1 tp10 -39.71 -19.58 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.511 -2.586 . . . . 0.0 110.53 -178.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 62' ' ' ASP . 28.5 m120 -87.67 1.28 54.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.637 -1.289 . . . . 0.0 108.233 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.18 36.02 91.74 Favored Glycine 0 N--CA 1.495 2.579 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.742 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 4.0 p30 -101.61 -14.08 17.57 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.836 -1.391 . . . . 0.0 110.585 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.535 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.75 -5.04 76.82 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 120.665 -1.272 . . . . 0.0 110.859 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.8 mt-10 -123.18 143.74 49.82 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.425 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 62.6 t -107.72 129.04 62.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.223 -0.923 . . . . 0.0 110.071 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -80.43 166.28 21.4 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.7 p90 -59.97 -36.51 77.29 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.092 -1.005 . . . . 0.0 111.009 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.412 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 61.9 tt0 -61.7 -41.84 98.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.492 -1.38 . . . . 0.0 110.811 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.04 -39.99 75.41 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.809 -1.182 . . . . 0.0 111.063 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.411 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 64.9 t80 -67.21 -39.96 86.36 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -74.86 -31.82 26.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.37 -0.831 . . . . 0.0 111.047 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.04 -58.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.38 -0.825 . . . . 0.0 111.902 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.51 -39.91 81.06 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.968 -1.083 . . . . 0.0 113.107 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 79' ' ' ALA . 15.2 m -66.2 -38.49 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.816 -1.178 . . . . 0.0 110.742 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -75.11 -27.26 59.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.56 -0.712 . . . . 0.0 110.943 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.03 65.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.563 -1.336 . . . . 0.0 108.421 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 48.1 mt -65.0 -34.68 79.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.707 -0.62 . . . . 0.0 110.213 -179.491 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.2 m -60.42 -55.04 38.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.322 -0.861 . . . . 0.0 111.442 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.43 -39.78 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.101 -1.0 . . . . 0.0 110.876 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.98 84.28 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.383 0.611 . . . . 0.0 110.209 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 52.2 t -63.06 -40.07 96.6 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.85 . . . . 0.0 109.704 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.95 -40.24 88.33 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 120.94 -1.1 . . . . 0.0 110.353 -179.307 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.6 mp0 -63.97 -52.73 58.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.325 -0.86 . . . . 0.0 110.532 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.0 -39.36 85.53 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.672 -0.643 . . . . 0.0 110.323 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.47 -49.17 70.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.073 -1.017 . . . . 0.0 109.269 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 39.8 p -64.43 -32.56 74.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.683 -0.636 . . . . 0.0 110.536 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.481 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -55.93 -48.74 75.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.376 -0.828 . . . . 0.0 110.381 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.2 ttt -59.97 -39.94 87.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.91 -1.119 . . . . 0.0 109.145 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.18 -40.06 88.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.552 -0.717 . . . . 0.0 110.127 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.482 ' HG1' ' H ' ' B' ' 11' ' ' LEU . 22.5 p -70.59 -46.46 63.38 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.541 -0.725 . . . . 0.0 111.859 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . 0.482 ' H ' ' HG1' ' B' ' 10' ' ' THR . 67.8 mt -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 0.0 110.874 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.02 -32.12 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 111.102 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.15 -39.92 88.05 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.567 -1.333 . . . . 0.0 108.542 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.12 -36.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.413 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.0 -50.35 74.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.152 -0.967 . . . . 0.0 111.134 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -74.96 -24.18 58.41 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.728 -0.607 . . . . 0.0 110.623 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.69 -59.74 2.65 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.841 -1.162 . . . . 0.0 111.077 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.31 -40.03 77.89 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.404 -1.435 . . . . 0.0 111.413 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.12 -16.58 64.41 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.949 -1.095 . . . . 0.0 111.499 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.29 12.27 70.06 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp . . . . . 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.428 . . . . 0.0 107.269 178.08 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.796 0.331 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -94.29 141.55 28.44 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.85 158.16 15.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.743 -1.223 . . . . 0.0 110.708 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.528 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.0 t -130.33 163.72 26.22 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -46.92 -39.96 13.28 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.052 -1.03 . . . . 0.0 110.707 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -81.64 -26.16 35.04 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.659 -1.275 . . . . 0.0 112.232 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.528 ' HB2' ' H ' ' B' ' 29' ' ' SER . 36.0 mt-10 -76.91 -31.51 56.76 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.222 -1.549 . . . . 0.0 110.296 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.32 -33.76 25.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.926 -1.109 . . . . 0.0 110.306 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.37 -41.06 98.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.064 -1.022 . . . . 0.0 110.071 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.12 -31.37 49.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.216 -0.927 . . . . 0.0 110.137 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.86 -39.3 93.33 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.453 -0.78 . . . . 0.0 112.693 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -83.25 -39.27 21.11 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.789 -1.194 . . . . 0.0 112.552 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' B' ' 39' ' ' THR . 12.7 pt20 -67.23 -40.01 86.28 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.773 -1.204 . . . . 0.0 110.338 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 20.3 m -81.82 -65.12 1.05 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.774 0.797 . . . . 0.0 112.152 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.01 -40.47 75.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 34.24 2.36 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.778 -1.201 . . . . 0.0 110.406 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 53.3 m -50.77 133.95 25.61 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 156.84 -48.18 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 119.077 0.853 . . . . 0.0 110.641 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . 0.595 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 68.5 t80 -160.16 -35.2 0.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.737 -1.227 . . . . 0.0 110.686 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.7 mm? -58.55 129.13 40.59 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -110.87 144.3 40.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.805 -1.184 . . . . 0.0 108.521 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 1.6 m -152.42 -30.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.44 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 67.8 mm-40 -79.98 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 111.39 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.905 . . . . 0.0 111.018 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -94.19 91.46 6.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.906 -1.121 . . . . 0.0 109.623 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.62 76.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.308 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -59.95 -38.9 83.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.257 -0.902 . . . . 0.0 108.67 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.23 86.57 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.531 -0.731 . . . . 0.0 112.078 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 99.5 t -71.25 -56.71 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.79 -1.194 . . . . 0.0 111.72 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -63.71 -40.06 95.83 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.651 -1.281 . . . . 0.0 110.817 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.94 -39.95 72.32 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.174 -0.954 . . . . 0.0 111.633 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -76.81 -54.73 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.068 -1.02 . . . . 0.0 109.762 -177.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.431 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 5.2 tpt -59.95 -47.31 86.33 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.701 -0.624 . . . . 0.0 111.468 -178.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.44 -39.98 89.21 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.026 -1.046 . . . . 0.0 110.166 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -87.54 -16.84 33.49 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.204 -0.935 . . . . 0.0 109.523 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.585 ' C ' ' H ' ' B' ' 63' ' ' GLU . 61.4 tp -85.34 -18.38 33.99 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' B' ' 65' ' ' GLY . 17.0 t0 -91.35 45.81 1.26 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.585 ' H ' ' C ' ' B' ' 61' ' ' LEU . 51.2 tp10 -39.68 -19.53 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 111.602 -2.545 . . . . 0.0 110.511 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 62' ' ' ASP . 28.2 m120 -87.42 0.9 54.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.691 -1.256 . . . . 0.0 108.245 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 62.02 34.71 89.82 Favored Glycine 0 N--CA 1.493 2.492 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.871 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 4.0 p30 -100.97 -13.56 18.24 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.876 -1.367 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.26 -4.81 75.24 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 120.61 -1.306 . . . . 0.0 110.807 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.577 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.5 mt-10 -123.29 143.45 50.06 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.431 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 63.2 t -106.85 128.84 61.3 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 121.174 -0.954 . . . . 0.0 110.23 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.29 166.45 21.34 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 47.2 p90 -60.05 -36.51 77.47 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.042 -1.036 . . . . 0.0 110.969 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.409 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 60.7 tt0 -61.8 -41.59 97.93 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.444 -1.41 . . . . 0.0 110.815 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.25 -39.93 74.73 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.798 -1.189 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.419 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 64.8 t80 -67.05 -40.09 87.07 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.93 -31.86 26.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 O-C-N 121.412 -0.805 . . . . 0.0 111.178 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.85 -58.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.472 -0.767 . . . . 0.0 112.107 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.55 -40.02 80.85 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.921 -1.112 . . . . 0.0 112.903 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' B' ' 79' ' ' ALA . 14.3 m -66.3 -38.13 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.651 -1.281 . . . . 0.0 110.674 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -75.47 -26.79 58.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.575 -0.703 . . . . 0.0 111.042 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 52.1 mt -60.11 -35.61 75.62 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.229 0.538 . . . . 0.0 110.29 -178.588 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.446 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 61.8 m -60.49 -54.92 39.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.983 -1.073 . . . . 0.0 111.551 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 42.4 t -73.64 -39.37 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.115 -0.991 . . . . 0.0 110.99 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.22 85.19 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.103 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.595 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 52.3 t -62.92 -40.03 96.37 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.438 -0.789 . . . . 0.0 109.69 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.06 -40.19 88.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.313 -0.867 . . . . 0.0 110.537 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 0.0 110.296 -179.294 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 120.753 0.311 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . 0.454 ' CD ' ' HZ1' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -61.47 -40.16 93.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.592 -1.317 . . . . 0.0 111.024 -178.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.35 -50.3 74.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.712 -1.243 . . . . 0.0 110.581 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.3 mp -63.86 -39.99 95.49 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.21 -0.931 . . . . 0.0 108.534 178.112 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 120.761 0.315 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . 0.613 ' CE ' ' HZ1' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -61.49 -40.02 93.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.627 -1.295 . . . . 0.0 111.1 -178.513 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.36 -50.1 74.94 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.753 -1.217 . . . . 0.0 110.307 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.9 mp -63.9 -39.81 95.05 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.301 -0.875 . . . . 0.0 108.912 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--N 1.301 -1.543 0 O-C-N 121.115 -0.99 . . . . 0.0 108.386 178.214 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.32 -53.91 50.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.73 -0.607 . . . . 0.0 110.362 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.91 -39.63 86.09 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.47 -40.83 65.6 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.744 -1.223 . . . . 0.0 108.031 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.2 -30.47 64.98 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.9 -53.14 61.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.14 -0.975 . . . . 0.0 110.039 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.35 -40.15 93.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.24 -0.912 . . . . 0.0 111.143 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -39.53 93.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.433 ' HG1' ' H ' ' A' ' 11' ' ' LEU . 17.4 p -69.66 -45.49 68.25 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.73 -0.607 . . . . 0.0 111.108 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . 0.433 ' H ' ' HG1' ' A' ' 10' ' ' THR . 83.5 mt -60.54 -40.16 90.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.627 -0.671 . . . . 0.0 111.972 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.39 -32.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.819 -1.175 . . . . 0.0 112.172 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -61.67 -39.88 92.98 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.26 -1.525 . . . . 0.0 109.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.46 -34.82 30.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.624 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 19' ' ' SER . 14.1 t80 -60.17 -54.83 41.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.055 -1.028 . . . . 0.0 111.074 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -73.18 -23.92 60.49 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.607 -0.683 . . . . 0.0 112.279 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.64 -60.16 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.394 -1.441 . . . . 0.0 111.493 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -76.31 -38.52 55.92 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.452 -1.405 . . . . 0.0 112.312 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 52.4 p -62.32 -21.26 65.13 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.945 -1.097 . . . . 0.0 112.551 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.69 19.18 42.36 Favored Glycine 0 N--CA 1.503 3.141 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 N--CA 1.489 1.52 0 O-C-N 120.879 -1.365 . . . . 0.0 109.253 179.72 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.509 2.476 0 CA-C-O 122.217 1.008 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HB2' ' HZ2' ' A' ' 27' ' ' LYS . 11.8 ttmm -142.66 143.16 32.23 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -91.59 154.88 18.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.95 -1.094 . . . . 0.0 108.406 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.417 ' HG ' ' H ' ' A' ' 30' ' ' LYS . 38.2 t -129.44 164.08 24.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.395 -0.816 . . . . 0.0 109.658 -178.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.417 ' H ' ' HG ' ' A' ' 29' ' ' SER . 33.1 ttmt -52.58 -47.05 67.12 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.175 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -73.59 -35.04 65.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.975 -1.078 . . . . 0.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HB2' ' H ' ' A' ' 29' ' ' SER . 95.5 mt-10 -70.39 -31.91 69.33 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.352 -0.843 . . . . 0.0 110.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -82.08 -33.23 29.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 0.0 110.466 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.17 -43.99 95.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.161 -0.962 . . . . 0.0 110.904 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.65 -27.36 31.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.108 -0.995 . . . . 0.0 111.186 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.7 -40.48 76.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 112.085 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.1 pt? -83.88 -39.96 19.22 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.323 -0.86 . . . . 0.0 111.944 -177.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.539 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.7 pp0? -66.54 -38.4 87.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.606 -1.309 . . . . 0.0 110.205 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -66.09 -42.67 89.0 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.171 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -100.75 -19.66 15.92 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.706 -1.246 . . . . 0.0 111.068 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -122.12 73.86 1.12 Allowed 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.007 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 43' ' ' SER . 73.2 p -85.64 141.0 30.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.424 0.631 . . . . 0.0 109.435 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER 73.75 -3.14 2.57 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.373 -0.83 . . . . 0.0 111.007 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.76 -61.14 1.69 Allowed 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -103.29 136.84 42.31 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 15.9 p-10 -118.79 150.52 39.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.076 -1.015 . . . . 0.0 108.868 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 10.8 m -154.27 -38.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 23.8 mt-30 -70.21 -52.04 26.33 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.201 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptpt -69.28 -41.04 77.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.077 -1.014 . . . . 0.0 110.749 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 49' ' ' LYS . 57.7 t0 -100.52 95.35 6.66 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.427 -0.796 . . . . 0.0 110.112 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.77 71.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.454 -0.779 . . . . 0.0 109.018 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.35 90.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.342 -0.849 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.93 -55.08 16.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 120.898 -1.126 . . . . 0.0 111.761 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.34 -40.01 81.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.706 -1.246 . . . . 0.0 111.266 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HZ1' ' CD ' ' C' ' 7' ' ' LYS . 0.7 OUTLIER -69.04 -40.0 78.83 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.976 -1.077 . . . . 0.0 111.473 -178.265 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -77.1 -54.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.212 -0.93 . . . . 0.0 110.607 -177.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.501 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -62.61 -45.28 93.6 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.674 -0.641 . . . . 0.0 112.084 -177.219 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' CB ' ' NZ ' ' A' ' 59' ' ' LYS . 8.8 mtmp? -65.53 -38.62 90.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.772 -1.205 . . . . 0.0 109.527 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -87.39 -16.21 35.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.134 -0.979 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.635 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.1 tp -90.79 -18.81 24.28 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.62 ' O ' ' N ' ' A' ' 65' ' ' GLY . 42.3 t0 -91.34 46.94 1.34 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 103.076 -2.935 . . . . 0.0 103.076 173.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.635 ' H ' ' C ' ' A' ' 61' ' ' LEU . 52.3 tp10 -39.16 -20.22 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 110.821 -2.899 . . . . 0.0 110.556 -177.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' ASP . 17.8 t-20 -85.44 -0.24 54.3 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.341 -1.474 . . . . 0.0 108.102 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 60.03 39.87 96.28 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -102.12 -11.05 19.12 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.002 -1.293 . . . . 0.0 110.952 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 87.07 -9.61 71.85 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 120.59 -1.319 . . . . 0.0 110.393 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 44.4 mt-10 -125.51 144.76 50.4 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 60.9 t -104.71 132.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 72' ' ' GLN . 94.6 m-20 -87.59 126.52 34.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.163 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.509 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 45.2 p90 -26.46 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.9 tt0 -60.2 -40.97 91.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.611 -1.306 . . . . 0.0 109.539 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.1 mt-10 -69.15 -40.01 78.46 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.22 -0.925 . . . . 0.0 109.951 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -62.05 -39.94 94.06 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -71.3 -34.15 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.091 -1.005 . . . . 0.0 110.726 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.75 -58.66 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.114 -0.991 . . . . 0.0 111.235 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 tt -70.1 -42.41 72.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.826 -1.171 . . . . 0.0 113.561 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.14 -40.05 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.658 -1.276 . . . . 0.0 110.45 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.56 -28.12 37.32 Favored 'General case' 0 C--N 1.286 -2.167 0 O-C-N 121.219 -0.925 . . . . 0.0 112.412 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.81 -56.05 10.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 119.806 -1.809 . . . . 0.0 110.02 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.403 HD23 ' H ' ' A' ' 82' ' ' THR . 1.3 pt? -62.23 -39.1 91.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.026 -1.046 . . . . 0.0 111.051 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -61.92 -49.78 74.78 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.385 -0.822 . . . . 0.0 112.102 -177.488 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' N ' ' CG2' ' A' ' 82' ' ' THR . 19.4 m -74.05 -36.63 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.095 -1.628 . . . . 0.0 109.742 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.5 -32.17 72.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.789 -0.57 . . . . 0.0 110.744 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.0 m -69.93 -40.25 75.64 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.239 -0.913 . . . . 0.0 109.001 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.0 -39.95 91.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.496 -0.753 . . . . 0.0 109.994 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.794 . . . . 0.0 110.873 -178.461 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.4 -53.93 50.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.197 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.83 -39.72 86.03 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.215 -0.928 . . . . 0.0 110.03 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -53.48 -41.07 65.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.708 -1.245 . . . . 0.0 107.997 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.03 -28.88 63.66 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.439 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.85 -51.69 68.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.065 -1.022 . . . . 0.0 109.758 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.79 -40.14 94.17 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.462 -0.774 . . . . 0.0 110.82 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.73 -39.43 94.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.856 . . . . 0.0 110.051 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 18.0 p -69.97 -45.5 67.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.771 -0.581 . . . . 0.0 110.989 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.04 -40.6 89.96 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.663 -0.648 . . . . 0.0 112.131 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -82.82 -34.67 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 112.085 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.41 -40.1 89.78 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.462 -1.399 . . . . 0.0 109.044 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -75.7 -34.5 28.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.444 ' O ' ' OG ' ' B' ' 19' ' ' SER . 13.8 t80 -60.03 -54.93 40.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.945 -1.097 . . . . 0.0 111.079 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . 0.402 ' CD2' ' CD2' ' B' ' 15' ' ' PHE . 32.6 m170 -73.04 -23.88 60.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.558 -0.714 . . . . 0.0 112.31 -177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.73 -60.0 2.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.424 -1.423 . . . . 0.0 111.595 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -76.73 -38.33 54.43 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.432 -1.417 . . . . 0.0 112.244 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 51.4 p -62.37 -21.51 65.39 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.983 -1.073 . . . . 0.0 112.564 -178.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.36 19.62 42.19 Favored Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? . . . . . 0 N--CA 1.489 1.502 0 O-C-N 120.819 -1.401 . . . . 0.0 109.228 179.736 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.508 2.435 0 CA-C-O 122.143 0.973 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.409 ' HZ1' ' HB2' ' B' ' 27' ' ' LYS . 12.2 ttmm -142.55 143.27 32.41 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -91.83 154.23 19.04 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.915 -1.116 . . . . 0.0 108.19 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.3 t -129.49 163.7 25.34 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.315 -0.866 . . . . 0.0 109.68 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -51.67 -47.59 63.77 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.73 -34.81 64.94 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.942 -1.099 . . . . 0.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -70.4 -31.7 69.02 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 110.372 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.422 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.4 OUTLIER -82.64 -32.81 28.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.405 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.46 -43.58 96.77 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 0.0 110.778 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.54 -27.88 31.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 111.247 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.73 -40.06 76.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.39 -0.819 . . . . 0.0 112.24 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . 0.413 HD22 ' H ' ' B' ' 37' ' ' LEU . 1.1 pt? -84.05 -40.61 18.14 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.24 -0.913 . . . . 0.0 111.995 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.55 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.8 pp0? -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 110.108 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.55 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.4 m -66.29 -42.87 87.76 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.151 -177.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -100.39 -19.75 16.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -122.07 74.0 1.13 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.151 -0.968 . . . . 0.0 108.927 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' B' ' 43' ' ' SER . 74.7 p -85.82 140.93 30.01 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.0 OUTLIER 73.89 -3.63 2.46 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.503 -0.748 . . . . 0.0 110.93 179.093 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -109.21 -61.52 1.61 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.89 137.58 40.91 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 15.8 p-10 -119.55 150.87 39.55 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.056 -1.028 . . . . 0.0 108.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 14.3 m -154.72 -38.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 23.6 mt-30 -70.34 -52.75 20.39 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.214 -178.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' B' ' 50' ' ' ASP . 12.5 ptpt -68.63 -41.11 79.92 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.238 -0.914 . . . . 0.0 110.725 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' B' ' 49' ' ' LYS . 57.1 t0 -100.47 95.82 6.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.857 . . . . 0.0 110.083 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.61 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.933 . . . . 0.0 108.823 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.13 -36.72 78.12 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.289 -0.882 . . . . 0.0 108.633 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.09 82.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.649 -0.657 . . . . 0.0 111.396 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.22 -55.27 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.696 -1.252 . . . . 0.0 111.696 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.18 -40.23 82.31 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.077 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.613 ' HZ1' ' CE ' ' D' ' 7' ' ' LYS . 0.7 OUTLIER -69.17 -40.03 78.37 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.03 -1.044 . . . . 0.0 111.484 -178.247 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -76.8 -54.69 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.195 -0.941 . . . . 0.0 110.548 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 58' ' ' MET . . . . . 0.486 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.72 -45.68 92.92 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.732 -0.605 . . . . 0.0 112.468 -177.267 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' B' ' 59' ' ' LYS . 8.9 mtmp? -65.67 -38.38 89.13 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.432 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -87.48 -16.19 35.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.086 -1.009 . . . . 0.0 109.14 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.622 ' C ' ' H ' ' B' ' 63' ' ' GLU . 43.8 tp -91.13 -18.71 24.07 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.598 ' O ' ' N ' ' B' ' 65' ' ' GLY . 43.8 t0 -91.23 46.71 1.33 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 173.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.622 ' H ' ' C ' ' B' ' 61' ' ' LEU . 52.2 tp10 -39.16 -19.9 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 110.901 -2.863 . . . . 0.0 110.524 -177.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 62' ' ' ASP . 18.8 t-20 -85.88 -0.03 54.33 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.405 -1.434 . . . . 0.0 108.229 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.38 37.76 93.65 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -100.3 -10.95 20.74 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.005 -1.291 . . . . 0.0 111.074 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 87.14 -9.94 70.67 Favored Glycine 0 N--CA 1.499 2.883 0 O-C-N 120.442 -1.411 . . . . 0.0 110.426 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.537 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 44.4 mt-10 -125.71 144.99 50.37 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . 0.47 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 62.0 t -104.21 132.69 50.17 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 O-C-N 121.575 -0.703 . . . . 0.0 109.813 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 72' ' ' GLN . 94.6 m-20 -87.47 126.67 35.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.142 -0.974 . . . . 0.0 109.049 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 46.3 p90 -26.81 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.7 tt0 -60.03 -41.25 91.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.597 -1.314 . . . . 0.0 109.459 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 70' ' ' ASP . 96.3 mt-10 -69.01 -39.9 79.03 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.179 -0.951 . . . . 0.0 109.806 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.41 -40.18 95.68 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p -70.99 -33.45 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.15 -0.969 . . . . 0.0 110.882 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.48 -58.62 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.962 -1.086 . . . . 0.0 111.316 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.91 -43.07 72.46 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.94 -1.1 . . . . 0.0 113.238 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.83 -39.73 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.601 -1.312 . . . . 0.0 110.28 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.6 36.99 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 121.178 -0.952 . . . . 0.0 112.508 -178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.69 -59.8 3.05 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 119.77 -1.831 . . . . 0.0 108.855 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.59 -39.44 80.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.33 -0.856 . . . . 0.0 111.055 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -61.7 -50.01 74.16 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.124 -177.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 82' ' ' THR . 18.4 m -73.91 -36.49 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.251 -1.531 . . . . 0.0 109.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.55 -32.51 72.58 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.803 -0.561 . . . . 0.0 110.721 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 99.6 m -69.96 -40.19 75.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 108.922 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.79 -40.0 90.97 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.478 -0.764 . . . . 0.0 110.163 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.387 -0.821 . . . . 0.0 111.035 -178.857 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 120.961 0.41 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -59.97 -54.65 43.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.827 -1.171 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.53 -50.01 75.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 110.037 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 3.7 mm? -60.04 -39.62 86.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.046 -1.033 . . . . 0.0 110.475 -179.693 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 120.952 0.406 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -60.06 -54.77 42.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.826 -1.171 . . . . 0.0 110.509 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.32 -50.04 75.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.627 -1.296 . . . . 0.0 110.105 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 3.7 mm? -59.96 -39.41 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.171 -0.956 . . . . 0.0 109.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.134 -0.979 . . . . 0.0 110.44 -179.692 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.506 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.8 mt-10 -60.32 -57.93 10.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.954 -1.091 . . . . 0.0 110.834 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.0 -34.51 73.43 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.497 -1.377 . . . . 0.0 109.604 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -57.33 -41.03 79.22 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.08 -1.012 . . . . 0.0 108.492 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 30.2 p -71.58 -31.83 67.39 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.294 -0.878 . . . . 0.0 109.304 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -55.54 -57.13 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.671 -0.643 . . . . 0.0 110.942 -177.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptm -59.98 -33.08 71.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.611 -1.306 . . . . 0.0 110.192 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.47 -40.04 92.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.2 -0.937 . . . . 0.0 110.246 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 7.2 p -68.59 -45.58 71.63 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.687 -0.633 . . . . 0.0 110.647 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.12 -40.12 92.59 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 111.751 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.07 -39.56 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.94 -1.1 . . . . 0.0 112.625 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 3' ' ' GLU . 22.6 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.075 -1.64 . . . . 0.0 109.878 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -77.71 -34.35 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.892 -0.505 . . . . 0.0 110.542 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 46.8 t80 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.173 -0.954 . . . . 0.0 110.973 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -74.12 -21.69 59.77 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.79 -0.569 . . . . 0.0 110.789 -178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -60.55 2.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.126 . . . . 0.0 110.45 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -69.93 -40.03 75.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.447 -1.408 . . . . 0.0 110.705 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 p -68.97 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 111.263 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.79 11.58 66.24 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.146 -0.971 . . . . 0.0 110.923 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 120.709 -1.465 . . . . 0.0 109.028 179.203 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.4 t80 . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -138.69 137.85 37.2 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 tp -94.13 149.77 20.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.501 -1.374 . . . . 0.0 108.85 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -125.8 162.98 23.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.343 -0.848 . . . . 0.0 109.404 -178.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -53.34 -47.97 68.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.157 -0.965 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.93 -29.0 64.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.97 -1.081 . . . . 0.0 110.005 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -79.44 -35.15 40.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.01 -49.99 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.689 -0.632 . . . . 0.0 111.75 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -67.83 -35.18 78.13 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.763 -1.211 . . . . 0.0 111.581 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.26 -38.19 90.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.73 -1.231 . . . . 0.0 108.292 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 60.5 tp -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.87 -33.69 21.2 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.477 -1.389 . . . . 0.0 113.566 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.26 -20.86 63.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.249 -1.532 . . . . 0.0 110.226 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -74.89 -64.52 1.03 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.837 -0.54 . . . . 0.0 111.749 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 33.2 mp0 -89.95 -50.0 6.28 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.449 -1.407 . . . . 0.0 112.203 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.48 69.11 4.93 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.655 -1.278 . . . . 0.0 108.96 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -80.01 -22.08 42.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.784 -0.572 . . . . 0.0 111.416 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.2 p -110.24 6.34 22.49 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.116 -0.99 . . . . 0.0 111.56 -178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.22 -82.07 0.64 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.032 -1.043 . . . . 0.0 108.522 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.8 mm? -70.02 139.87 52.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -128.47 156.55 43.06 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 122.21 1.005 . . . . 0.0 109.505 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.7 m -159.25 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -82.12 -36.45 27.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.579 -0.701 . . . . 0.0 111.906 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -61.33 -39.81 91.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.743 -1.223 . . . . 0.0 109.804 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -124.67 113.62 18.25 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 121.604 0.716 . . . . 0.0 110.623 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.96 -25.87 63.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.95 -39.91 91.32 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.93 95.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.515 -0.74 . . . . 0.0 111.029 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 21.6 t -69.04 -54.71 18.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 112.697 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.79 -40.02 91.52 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 120.522 -1.361 . . . . 0.0 110.928 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -69.61 -39.99 76.88 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.364 -0.835 . . . . 0.0 111.309 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -82.2 -55.81 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.736 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.2 -42.49 95.19 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.753 -0.592 . . . . 0.0 111.7 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.9 -36.84 75.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.963 -1.086 . . . . 0.0 109.558 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -87.83 -18.07 30.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.078 -1.013 . . . . 0.0 109.419 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.7 tp -83.33 -17.29 42.93 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.3 t0 -94.18 44.87 1.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 103.128 -2.916 . . . . 0.0 103.128 174.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.581 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.7 tt0 -37.9 -18.18 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 111.202 -2.726 . . . . 0.0 111.06 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 82.7 m-20 -86.71 0.06 55.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.534 -1.354 . . . . 0.0 108.088 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.98 36.45 90.31 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.741 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -99.4 -13.17 19.69 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.832 -1.393 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 88.64 -10.16 73.15 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.663 -1.273 . . . . 0.0 110.309 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 mt-10 -121.16 139.75 52.93 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -96.19 138.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 121.526 0.679 . . . . 0.0 109.178 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.556 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 41.8 t0 -95.04 117.82 30.81 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.2 p90 -24.65 -39.14 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 20.3 tm0? -59.99 -42.68 94.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.625 -1.297 . . . . 0.0 108.845 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 70' ' ' ASP . 99.4 mt-10 -64.14 -39.99 95.2 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.983 0.897 . . . . 0.0 109.223 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 25.2 t80 -60.08 -39.96 87.91 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.883 -0.511 . . . . 0.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -33.24 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.726 -1.234 . . . . 0.0 111.458 -177.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.34 -60.33 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.682 -1.261 . . . . 0.0 111.817 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.09 -42.59 72.52 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.943 -1.098 . . . . 0.0 112.695 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.15 -41.24 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.9 -1.125 . . . . 0.0 111.424 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.46 -24.26 59.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.072 -1.017 . . . . 0.0 109.469 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.78 -52.16 47.37 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.54 -33.22 75.12 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.552 0.692 . . . . 0.0 110.042 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -53.93 52.03 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.503 -0.748 . . . . 0.0 111.417 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -80.18 -29.97 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.851 -1.155 . . . . 0.0 110.994 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.2 90.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.353 -0.842 . . . . 0.0 110.241 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.8 m -69.59 -40.05 76.92 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.29 -0.881 . . . . 0.0 109.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -60.01 -41.61 92.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.353 -0.842 . . . . 0.0 109.712 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.7 t30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.945 . . . . 0.0 109.98 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.508 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.8 mt-10 -60.38 -57.92 10.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.936 -1.103 . . . . 0.0 110.777 -177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.92 -35.01 73.98 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.518 -1.364 . . . . 0.0 109.623 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.9 -41.15 77.57 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.05 -1.031 . . . . 0.0 108.518 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 30.7 p -71.56 -31.07 66.58 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.282 -0.886 . . . . 0.0 109.351 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -56.17 -56.66 18.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.695 -0.628 . . . . 0.0 110.94 -176.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.7 ptm -60.06 -33.1 71.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.9 -1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.68 -39.82 91.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.237 -0.915 . . . . 0.0 110.144 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 7.8 p -68.84 -45.74 70.34 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.437 0.637 . . . . 0.0 110.603 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.65 -40.09 90.76 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.497 -0.752 . . . . 0.0 111.894 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -82.22 -40.01 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.785 -1.197 . . . . 0.0 112.538 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' OE2' ' A' ' 3' ' ' GLU . 22.9 t-20 -60.06 -40.96 91.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.221 -1.549 . . . . 0.0 109.769 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -77.89 -34.24 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.912 -0.493 . . . . 0.0 110.585 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 47.4 t80 -59.97 -50.12 75.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.025 -1.047 . . . . 0.0 110.903 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -74.1 -21.64 59.81 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.894 -0.504 . . . . 0.0 110.721 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.16 -60.64 2.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.848 -1.157 . . . . 0.0 110.522 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -69.81 -40.07 76.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.375 -1.453 . . . . 0.0 110.637 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -68.96 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.35 -0.844 . . . . 0.0 111.328 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.05 11.81 65.72 Favored Glycine 0 N--CA 1.497 2.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.829 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt . . . . . 0 N--CA 1.492 1.665 0 O-C-N 120.75 -1.441 . . . . 0.0 109.024 178.907 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -138.54 137.91 37.5 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 tp -94.12 149.99 20.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.556 -1.34 . . . . 0.0 108.862 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -126.07 162.35 25.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.384 -0.822 . . . . 0.0 109.393 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -47.68 68.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.04 -1.037 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -71.23 -28.77 64.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.088 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -79.31 -35.41 41.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.95 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.861 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.64 -35.13 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.721 -1.237 . . . . 0.0 111.548 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.39 -38.32 90.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.702 -1.249 . . . . 0.0 108.312 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 63.2 tp -60.03 -39.97 87.75 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.1 mt -85.96 -33.2 21.19 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.672 -1.267 . . . . 0.0 113.613 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.79 -20.66 62.57 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.276 -1.515 . . . . 0.0 110.164 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 90.5 m -74.9 -64.53 1.03 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.839 -0.538 . . . . 0.0 111.629 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 33.4 mp0 -89.93 -49.89 6.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.551 -1.343 . . . . 0.0 112.328 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 69.27 4.7 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.61 -1.306 . . . . 0.0 108.924 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -80.07 -22.16 42.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.906 -0.496 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -110.23 6.51 22.66 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.124 -0.985 . . . . 0.0 111.55 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -124.49 -81.83 0.64 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.988 -1.07 . . . . 0.0 108.448 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 2.9 mm? -70.17 140.0 52.47 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -128.79 156.96 42.75 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 122.221 1.01 . . . . 0.0 109.476 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 16.1 m -159.88 -34.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -81.99 -36.54 27.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.602 -0.686 . . . . 0.0 111.939 -178.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -61.35 -39.7 91.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.68 -1.263 . . . . 0.0 109.856 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -124.65 113.43 18.01 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.636 0.731 . . . . 0.0 110.642 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -25.35 63.51 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -61.36 -39.64 91.38 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.39 90.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.592 -0.693 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 21.3 t -70.11 -54.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 112.727 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.46 -40.09 92.78 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 120.581 -1.325 . . . . 0.0 110.846 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -69.89 -39.86 75.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.312 -0.867 . . . . 0.0 111.363 -177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.7 mt -82.31 -55.74 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 110.762 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.01 -42.59 94.63 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.703 -0.623 . . . . 0.0 111.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -70.02 -36.94 75.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.963 -1.085 . . . . 0.0 109.412 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -87.64 -18.1 30.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.177 -0.952 . . . . 0.0 109.424 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.556 ' C ' ' H ' ' B' ' 63' ' ' GLU . 67.2 tp -83.37 -17.41 42.43 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' B' ' 65' ' ' GLY . 45.5 t0 -93.94 44.91 1.13 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 103.292 -2.855 . . . . 0.0 103.292 173.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.556 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.1 tt0 -37.99 -17.99 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 111.191 -2.731 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 82.7 m-20 -86.74 -0.09 55.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.481 -1.387 . . . . 0.0 107.994 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.08 33.76 85.36 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.849 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -97.54 -12.92 22.01 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.751 -1.441 . . . . 0.0 110.671 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.552 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 88.26 -10.21 72.09 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 120.703 -1.248 . . . . 0.0 110.411 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.567 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.9 mt-10 -120.79 141.12 50.81 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -96.86 138.63 21.41 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 121.468 -0.77 . . . . 0.0 109.072 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 41.9 t0 -94.86 118.05 31.14 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.481 -0.762 . . . . 0.0 109.16 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 55.0 p90 -24.9 -38.9 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.558 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 20.4 tm0? -59.98 -42.68 94.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.666 -1.271 . . . . 0.0 108.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.5 mt-10 -64.3 -40.03 95.12 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.941 0.877 . . . . 0.0 109.238 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 25.0 t80 -60.05 -39.89 87.5 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.02 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.86 -33.3 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.708 -1.245 . . . . 0.0 111.469 -177.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.27 -60.49 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.683 -1.261 . . . . 0.0 111.847 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.06 -42.66 72.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 112.713 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.68 -41.55 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.932 -1.105 . . . . 0.0 111.47 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.53 -24.2 58.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.212 -0.93 . . . . 0.0 109.641 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.89 14.51 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.11 -33.76 72.56 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.378 0.609 . . . . 0.0 110.108 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -59.94 -54.01 51.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.342 -0.849 . . . . 0.0 111.416 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.11 -29.94 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.855 -1.153 . . . . 0.0 111.007 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.22 90.25 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.57 -39.89 77.08 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.275 -0.891 . . . . 0.0 109.149 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.07 -41.54 92.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.0 109.688 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.843 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.056 0.455 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.96 -50.04 75.3 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 111.179 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.98 -49.24 78.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.87 -1.144 . . . . 0.0 110.166 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' C' ' 9' ' ' LEU . 3.5 mm? -64.72 -40.83 96.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.914 -1.116 . . . . 0.0 109.057 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.074 -1.016 . . . . 0.0 109.589 179.487 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.107 0.48 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.176 -0.952 . . . . 0.0 111.089 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 110.062 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 3.8 mm? -64.7 -40.89 96.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.014 -1.054 . . . . 0.0 109.111 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.027 -1.045 . . . . 0.0 109.587 179.461 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.456 ' O ' ' OG1' ' A' ' 6' ' ' THR . 57.4 mm-40 -60.42 -56.81 16.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.404 -0.81 . . . . 0.0 109.88 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -57.42 -38.05 73.75 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.6 -1.312 . . . . 0.0 109.623 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.85 -44.09 73.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.242 -0.911 . . . . 0.0 109.183 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 29.3 p -68.79 -33.05 73.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.44 -0.787 . . . . 0.0 110.112 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.437 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -58.32 -42.64 87.22 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 108.962 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 82' ' ' THR . 1.5 mtp -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.917 -1.114 . . . . 0.0 110.63 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -63.76 -39.65 94.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.151 -0.968 . . . . 0.0 109.936 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 16.7 p -68.34 -47.02 68.6 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.555 -0.716 . . . . 0.0 112.059 -177.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 mt -60.0 -43.81 94.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.289 -0.882 . . . . 0.0 111.74 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.08 -35.5 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.956 -1.09 . . . . 0.0 112.252 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.04 -40.19 88.55 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 120.162 -1.586 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.17 -33.84 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.576 -0.703 . . . . 0.0 110.871 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.88 -50.04 75.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.169 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.32 -24.42 46.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.687 -0.633 . . . . 0.0 111.387 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.97 2.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.64 -1.288 . . . . 0.0 110.597 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.92 -39.89 87.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.828 -1.17 . . . . 0.0 111.0 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 21.9 t -61.2 -17.04 51.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 111.399 -178.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.61 17.22 10.29 Favored Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 N--CA 1.488 1.462 0 O-C-N 120.855 -1.379 . . . . 0.0 109.186 -179.255 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.6 p90 . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 121.993 0.901 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HZ1' ' CB ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -139.19 141.78 37.94 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.678 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.01 150.52 20.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.969 -1.082 . . . . 0.0 110.52 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.48 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.1 p -125.87 164.08 21.53 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.12 -39.96 30.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.286 -1.366 . . . . 0.0 110.294 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 17.2 tptm -71.73 -32.0 67.3 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.936 -1.102 . . . . 0.0 112.243 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' A' ' 29' ' ' SER . 27.0 mt-10 -73.04 -38.12 66.63 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.734 -1.229 . . . . 0.0 108.495 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . 0.463 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 2.5 tt -64.75 -44.1 91.19 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.052 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -66.33 -40.34 89.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.044 -1.035 . . . . 0.0 112.104 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 31' ' ' LYS . 12.4 p-10 -77.14 -26.72 53.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.704 -1.247 . . . . 0.0 109.507 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.47 -40.09 85.3 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.539 -0.725 . . . . 0.0 112.547 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.94 -34.24 20.95 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.632 -1.293 . . . . 0.0 113.083 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' CD ' ' NE2' ' A' ' 48' ' ' GLN . 14.6 pt20 -69.3 -21.0 63.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.613 -1.305 . . . . 0.0 109.747 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -80.08 -70.02 0.55 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.19 -53.97 7.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 112.928 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.96 57.54 2.8 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.637 -1.29 . . . . 0.0 108.423 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 45.1 m -69.99 -25.26 63.52 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.263 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 t -105.52 2.11 28.15 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.909 -1.119 . . . . 0.0 111.151 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -119.88 -80.01 0.61 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.268 -0.895 . . . . 0.0 109.101 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.5 mm? -77.23 130.46 37.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p-10 -112.32 155.79 23.52 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 15.9 m -155.82 -37.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.476 ' NE2' ' CD ' ' A' ' 38' ' ' GLN . 87.5 mt-30 -69.93 -53.35 18.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.773 -0.579 . . . . 0.0 112.169 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -69.88 -35.46 74.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 111.485 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 46' ' ' ASP . 89.8 m-20 -100.13 99.49 10.21 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.904 -1.122 . . . . 0.0 110.258 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.14 -37.47 75.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 93.6 m-20 -59.97 -33.23 71.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.378 -0.826 . . . . 0.0 108.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.57 77.12 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.688 -0.633 . . . . 0.0 110.993 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 53.3 t -69.35 -55.18 16.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.054 -1.029 . . . . 0.0 111.422 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 25.4 p-10 -65.43 -40.49 93.37 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.565 -1.334 . . . . 0.0 111.452 -177.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 3.7 ttpm? -70.03 -40.32 75.26 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.995 -1.066 . . . . 0.0 111.111 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -78.93 -55.49 9.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.47 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.08 -46.0 91.01 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.827 -0.546 . . . . 0.0 111.589 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -69.57 -38.26 77.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -84.92 -17.23 38.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.062 -1.024 . . . . 0.0 109.05 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.571 ' C ' ' H ' ' A' ' 63' ' ' GLU . 7.2 tt -86.68 -14.43 42.6 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.608 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 8.3 t70 -94.5 46.73 1.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 173.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.571 ' H ' ' C ' ' A' ' 61' ' ' LEU . 46.9 tp10 -44.25 -21.42 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 110.447 -3.07 . . . . 0.0 110.845 -177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -85.67 -0.07 54.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.55 -1.344 . . . . 0.0 107.991 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 65.68 31.51 80.18 Favored Glycine 0 N--CA 1.493 2.465 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.408 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 4.4 p-10 -98.38 -11.5 22.38 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.719 -1.46 . . . . 0.0 109.96 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.608 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.06 0.16 88.37 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 46.7 mt-10 -124.74 141.45 52.1 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.8 t -97.04 134.38 35.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-O 122.052 0.93 . . . . 0.0 111.018 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 11.0 t70 -86.98 158.35 19.28 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.5 p90 -60.0 -38.08 81.57 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.1 -1.0 . . . . 0.0 110.305 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.552 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -65.18 -39.66 93.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.857 -1.152 . . . . 0.0 110.646 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.93 -39.94 79.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.39 -1.444 . . . . 0.0 110.154 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.21 -40.0 86.39 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.47 -0.769 . . . . 0.0 112.458 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.73 -31.91 47.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 120.767 -1.208 . . . . 0.0 111.088 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.73 -60.8 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.115 -0.99 . . . . 0.0 112.435 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.17 -40.01 74.94 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.853 -1.155 . . . . 0.0 112.615 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.52 -39.93 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.886 -1.134 . . . . 0.0 109.991 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.72 -23.72 61.67 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.78 64.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 111.352 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.76 -35.98 13.82 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.579 -1.326 . . . . 0.0 110.812 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -65.12 -44.34 89.04 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.622 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 t -75.61 -43.75 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 110.265 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.46 71.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.693 -0.63 . . . . 0.0 110.724 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -73.32 -42.78 61.95 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 111.189 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.22 -40.86 91.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 0.0 111.17 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.229 -179.324 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' B' ' 6' ' ' THR . 57.3 mm-40 -60.33 -56.87 16.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.437 -0.79 . . . . 0.0 109.861 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.5 tp -57.98 -37.28 73.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.501 -1.374 . . . . 0.0 109.51 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.38 -43.58 75.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.146 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 28.6 p -69.33 -31.94 70.72 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.45 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.745 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 82' ' ' THR . 1.4 mtp -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.143 -0.973 . . . . 0.0 110.441 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 9' ' ' GLU . 0.8 OUTLIER -63.62 -39.63 94.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.087 -1.008 . . . . 0.0 109.942 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.8 p -68.22 -47.1 68.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.578 -0.701 . . . . 0.0 112.038 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.96 -43.72 94.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.295 -0.878 . . . . 0.0 111.836 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mt -79.56 -36.48 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.06 -1.025 . . . . 0.0 112.034 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.87 -40.07 87.41 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.28 -1.513 . . . . 0.0 109.549 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.07 -33.78 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.719 . . . . 0.0 111.037 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.157 -0.965 . . . . 0.0 111.233 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -78.25 -24.17 47.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.587 -0.696 . . . . 0.0 111.445 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.0 -59.95 2.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.651 -1.28 . . . . 0.0 110.597 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -66.73 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.889 -1.132 . . . . 0.0 110.905 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 25.7 t -61.19 -16.99 50.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 111.486 -178.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.54 16.73 10.44 Favored Glycine 0 N--CA 1.501 2.969 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt . . . . . 0 N--CA 1.489 1.504 0 O-C-N 120.821 -1.4 . . . . 0.0 109.235 -179.289 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 p90 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 122.07 0.938 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.507 ' HZ2' ' CB ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -139.24 141.87 37.85 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.1 mm? -97.17 150.15 21.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.027 -1.046 . . . . 0.0 110.539 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 89.9 p -125.27 164.24 20.77 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.06 -40.04 29.92 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.332 -1.347 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.439 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 17.5 tptm -72.29 -31.08 65.41 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.832 -1.167 . . . . 0.0 112.136 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.466 ' HB2' ' H ' ' B' ' 29' ' ' SER . 26.4 mt-10 -73.53 -38.07 65.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.47 -1.394 . . . . 0.0 108.267 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . 0.464 ' CD2' ' C ' ' B' ' 33' ' ' LEU . 2.5 tt -64.45 -44.52 90.87 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.18 -179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -65.99 -40.41 91.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 112.214 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 31' ' ' LYS . 12.4 p-10 -77.12 -26.65 53.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.6 -40.11 84.78 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.528 -0.733 . . . . 0.0 112.562 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -85.81 -35.2 20.83 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.525 -1.359 . . . . 0.0 112.971 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.474 ' CD ' ' NE2' ' B' ' 48' ' ' GLN . 14.5 pt20 -68.33 -21.19 64.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.748 -1.22 . . . . 0.0 109.764 -178.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 59.0 m -79.97 -69.76 0.56 Allowed 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.282 0.563 . . . . 0.0 111.896 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.46 -54.0 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 0.0 112.931 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -93.07 57.65 2.78 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.652 -1.28 . . . . 0.0 108.338 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 45.9 m -70.13 -24.98 63.27 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.224 -178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -105.94 2.43 27.49 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.0 -1.063 . . . . 0.0 111.061 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.03 -79.96 0.61 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.277 -0.889 . . . . 0.0 109.051 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -77.29 130.61 37.41 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 33.5 p-10 -112.47 155.53 24.1 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.434 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 15.9 m -155.81 -37.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.474 ' NE2' ' CD ' ' B' ' 38' ' ' GLN . 88.8 mt-30 -70.07 -53.79 15.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.849 -0.532 . . . . 0.0 112.036 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -69.17 -35.9 76.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.799 -1.188 . . . . 0.0 111.514 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 90.0 m-20 -100.06 99.52 10.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.967 -1.083 . . . . 0.0 110.101 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -37.18 75.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.419 -0.8 . . . . 0.0 109.057 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 92.9 m-20 -60.09 -33.46 72.13 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.929 0.871 . . . . 0.0 108.885 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.05 75.47 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.673 -0.642 . . . . 0.0 111.499 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 56.9 t -71.3 -55.22 14.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 111.384 -178.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 25.2 p-10 -65.22 -40.75 94.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.575 -1.328 . . . . 0.0 111.355 -177.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 3.7 ttpm? -70.05 -40.58 75.01 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.984 -1.072 . . . . 0.0 111.096 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.0 mt -78.53 -55.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.231 -0.918 . . . . 0.0 110.509 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.05 -45.6 92.29 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.797 -0.564 . . . . 0.0 111.691 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.95 -37.97 76.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.852 -1.155 . . . . 0.0 110.04 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 56' ' ' LYS . 0.9 OUTLIER -85.02 -17.48 37.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.077 -1.014 . . . . 0.0 109.05 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' B' ' 63' ' ' GLU . 7.1 tt -86.61 -14.29 43.19 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 8.6 t70 -94.61 46.71 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 173.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.579 ' H ' ' C ' ' B' ' 61' ' ' LEU . 46.9 tp10 -44.27 -21.46 0.05 OUTLIER 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 110.485 -3.052 . . . . 0.0 110.861 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.69 -0.13 54.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.543 -1.348 . . . . 0.0 108.02 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.82 31.3 79.31 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.284 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.559 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 4.5 p-10 -97.95 -11.97 22.52 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.711 -1.464 . . . . 0.0 109.889 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.607 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.36 0.05 88.48 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 46.4 mt-10 -124.38 141.99 51.64 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.11 134.74 33.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 122.171 0.986 . . . . 0.0 110.997 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.469 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 11.0 t70 -87.22 158.41 19.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.4 p90 -60.05 -38.37 82.62 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.37 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -64.97 -39.61 93.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.834 -1.166 . . . . 0.0 110.63 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -68.96 -40.02 79.16 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.376 -1.452 . . . . 0.0 110.162 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 29.8 t80 -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.537 -0.727 . . . . 0.0 112.446 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.2 p -70.65 -32.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 120.86 -1.15 . . . . 0.0 111.098 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.39 -60.99 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.987 -1.071 . . . . 0.0 112.488 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.18 -40.05 74.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.897 -1.127 . . . . 0.0 112.487 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -68.26 -40.01 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.801 -1.187 . . . . 0.0 110.038 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.26 61.89 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.55 62.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.09 -36.28 11.58 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.673 -1.267 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -65.08 -44.32 89.26 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 118.064 -1.455 . . . . 0.0 109.634 -178.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 18.2 t -75.65 -43.96 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.944 -1.097 . . . . 0.0 110.283 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.38 71.71 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.655 -0.653 . . . . 0.0 110.792 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.443 -0.786 . . . . 0.0 111.121 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -60.12 -40.86 91.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 0.0 111.26 -178.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 110.311 -179.369 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 120.954 0.407 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -59.82 -49.81 76.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.77 -1.206 . . . . 0.0 110.033 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.7 tp -67.64 -51.19 52.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.739 -1.225 . . . . 0.0 109.998 -179.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 1.0 OUTLIER -61.05 -40.21 92.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.149 -0.969 . . . . 0.0 110.12 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.491 1.602 0 O-C-N 120.912 -1.118 . . . . 0.0 109.879 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.945 0.403 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . 0.465 ' HZ2' ' CG ' ' B' ' 56' ' ' LYS . 38.2 ttpt -59.95 -49.35 78.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.779 -1.201 . . . . 0.0 110.101 -178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -67.94 -50.71 54.41 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.755 -1.216 . . . . 0.0 109.894 -179.516 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 1.4 mm? -61.13 -40.58 94.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 110.016 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 N--CA 1.49 1.55 0 O-C-N 120.956 -1.09 . . . . 0.0 109.808 -179.778 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.497 1.915 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 6' ' ' THR . 72.6 mm-40 -69.34 -51.12 40.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.297 -0.877 . . . . 0.0 109.789 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.26 -39.88 84.23 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.191 -0.943 . . . . 0.0 109.726 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.46 -49.53 64.46 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 122.252 1.025 . . . . 0.0 109.036 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 42.4 p -63.4 -34.25 77.31 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 121.661 -0.649 . . . . 0.0 110.518 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.36 -51.44 34.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 110.034 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.583 ' CE ' HD22 ' B' ' 86' ' ' ASN . 28.0 ttt -59.98 -40.15 88.15 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.804 -1.185 . . . . 0.0 109.313 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.33 -40.97 92.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.253 -0.905 . . . . 0.0 112.065 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.47 ' OG1' ' C ' ' B' ' 3' ' ' GLU . 0.0 OUTLIER -72.74 -43.08 63.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.855 -1.153 . . . . 0.0 111.093 -177.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.52 -41.27 76.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.534 -0.729 . . . . 0.0 109.86 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.4 mt -78.94 -27.15 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.454 -0.779 . . . . 0.0 111.649 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.5 -40.18 95.9 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.241 -1.537 . . . . 0.0 109.443 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.46 -33.27 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 120.361 -0.535 . . . . 0.0 111.607 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -54.79 41.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 110.633 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -73.78 -23.12 59.67 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.852 -0.53 . . . . 0.0 111.32 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.17 -61.64 1.83 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.462 -1.398 . . . . 0.0 111.514 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.614 -1.304 . . . . 0.0 112.118 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.7 m -57.72 -20.88 37.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 111.578 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.32 20.88 15.71 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 120.748 -1.443 . . . . 0.0 108.406 179.371 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 121.909 0.861 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -139.38 139.44 37.18 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.79 152.59 19.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.499 -1.375 . . . . 0.0 109.866 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.48 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.7 p -130.9 163.18 28.02 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' SER . 62.6 tttt -47.1 -39.91 14.21 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.938 -1.102 . . . . 0.0 109.706 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -70.06 -38.81 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.425 -0.797 . . . . 0.0 111.84 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' A' ' 29' ' ' SER . 31.8 mt-10 -70.12 -38.3 75.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.917 -1.114 . . . . 0.0 108.433 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.12 -50.87 71.97 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -69.16 -35.18 76.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.741 -1.224 . . . . 0.0 112.522 -176.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.29 -35.91 71.48 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.31 -1.494 . . . . 0.0 108.621 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 tp -65.96 -40.09 90.98 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.804 -0.56 . . . . 0.0 112.116 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.02 -39.86 17.54 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.504 -1.373 . . . . 0.0 113.11 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.3 pp0? -63.9 -38.83 92.53 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.803 -1.185 . . . . 0.0 110.169 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 95.6 m -72.43 -49.66 31.93 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.408 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 22.4 mp0 -82.21 -52.02 7.37 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.173 -0.954 . . . . 0.0 111.278 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -102.63 77.81 1.64 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 40.3 m -86.24 -21.9 27.16 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.0 t -117.31 2.51 12.53 Favored 'General case' 0 N--CA 1.512 2.638 0 O-C-N 120.627 -1.296 . . . . 0.0 112.52 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -120.05 -45.5 2.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.826 -1.171 . . . . 0.0 109.555 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 137.65 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -122.85 157.35 32.69 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.886 -1.134 . . . . 0.0 110.292 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 30.8 m -156.53 -36.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -88.11 -29.46 20.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.905 -1.122 . . . . 0.0 110.893 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.34 -40.0 92.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.818 -1.176 . . . . 0.0 108.969 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -123.55 113.25 18.47 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.261 0.553 . . . . 0.0 110.371 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.58 77.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.063 -1.023 . . . . 0.0 108.636 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -60.67 -36.74 79.47 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.49 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.918 -1.114 . . . . 0.0 110.396 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 32.9 t -69.82 -57.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.371 -0.831 . . . . 0.0 111.936 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 t0 -60.11 -42.54 94.92 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 120.581 -1.325 . . . . 0.0 111.579 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -70.14 -37.34 75.25 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.038 -1.038 . . . . 0.0 111.592 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 61' ' ' LEU . 82.2 mt -81.08 -53.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.809 -1.182 . . . . 0.0 110.748 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.94 -49.19 78.66 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.78 -0.575 . . . . 0.0 111.475 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.28 -39.94 93.23 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.905 -1.122 . . . . 0.0 110.439 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -86.55 -16.9 35.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.822 -1.174 . . . . 0.0 109.54 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.629 ' C ' ' H ' ' A' ' 63' ' ' GLU . 59.7 tp -83.47 -22.12 32.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 65' ' ' GLY . 39.0 t0 -87.88 47.54 1.52 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 173.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.629 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.8 tt0 -39.19 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 111.516 -2.583 . . . . 0.0 110.547 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.6 m-20 -86.73 0.76 54.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.737 -1.227 . . . . 0.0 108.189 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.5 37.35 92.0 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.916 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.483 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.7 p30 -104.15 -8.59 19.32 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.94 -1.33 . . . . 0.0 110.607 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . 0.551 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.59 -10.44 55.87 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 120.668 -1.27 . . . . 0.0 110.618 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 95.5 mt-10 -116.01 145.21 43.16 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.5 t -103.83 130.46 54.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.216 -0.928 . . . . 0.0 110.406 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -80.99 160.12 24.68 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 52.9 p90 -59.97 -38.85 83.71 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.97 -1.081 . . . . 0.0 110.023 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.497 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.0 tt0 -63.55 -40.18 96.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.012 -1.055 . . . . 0.0 111.379 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -68.55 -39.77 80.94 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.581 -1.324 . . . . 0.0 110.462 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.452 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 37.9 t80 -63.77 -52.89 58.32 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.59 -0.694 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -33.89 54.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.839 -0.538 . . . . 0.0 111.826 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.9 -59.12 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.043 -1.035 . . . . 0.0 112.206 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.61 -39.91 80.63 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.648 -1.282 . . . . 0.0 112.845 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 21.4 m -65.02 -39.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.885 -1.135 . . . . 0.0 111.3 -177.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -76.07 -24.98 55.11 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.417 -0.802 . . . . 0.0 109.86 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.81 65.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.856 -1.152 . . . . 0.0 109.896 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 56.5 mt -88.19 -36.14 16.97 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.043 . . . . 0.0 110.191 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 5.3 t -66.07 -48.42 71.07 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.858 -1.151 . . . . 0.0 109.804 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.445 ' N ' ' CG2' ' A' ' 82' ' ' THR . 46.1 t -70.53 -41.59 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.768 -1.207 . . . . 0.0 109.905 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.31 -31.01 71.56 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.381 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.7 m -63.89 -40.12 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.224 -0.922 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . 0.638 HD22 ' CE ' ' B' ' 8' ' ' MET . 82.3 m-20 -70.0 -30.25 67.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.47 -0.769 . . . . 0.0 109.602 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.7 . . . . 0.0 111.027 -178.572 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.493 ' O ' ' OG1' ' B' ' 6' ' ' THR . 72.4 mm-40 -69.25 -51.25 39.44 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.323 -0.861 . . . . 0.0 109.612 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.57 -39.62 84.67 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.77 -177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.74 -49.04 66.24 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 122.295 1.045 . . . . 0.0 109.015 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 41.8 p -63.77 -32.61 74.17 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.63 -0.669 . . . . 0.0 110.447 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.04 61.43 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.683 0.754 . . . . 0.0 109.992 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.638 ' CE ' HD22 ' A' ' 86' ' ' ASN . 27.9 ttt -60.09 -40.1 88.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.921 -1.112 . . . . 0.0 108.938 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.06 -41.82 93.2 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.315 -0.866 . . . . 0.0 111.879 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.478 ' OG1' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -72.33 -43.45 64.11 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.889 -1.132 . . . . 0.0 111.171 -177.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -56.06 -41.06 74.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.609 -0.682 . . . . 0.0 110.119 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.2 mt -78.38 -29.67 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 0.0 111.233 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.34 -40.02 89.18 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 120.486 -1.384 . . . . 0.0 109.521 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 m -84.98 -33.46 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.692 -0.63 . . . . 0.0 111.361 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -54.57 44.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 110.522 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.9 -22.61 59.64 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -61.8 1.79 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.454 -1.404 . . . . 0.0 111.409 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.98 -39.93 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.62 -1.3 . . . . 0.0 112.074 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.1 m -57.82 -20.35 35.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.992 . . . . 0.0 111.582 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.42 20.52 15.83 Favored Glycine 0 N--CA 1.5 2.915 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 120.697 -1.472 . . . . 0.0 108.442 179.504 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.941 0.877 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 31.6 tptt -139.47 139.77 37.09 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 176.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.3 mm? -98.24 152.33 19.52 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.542 -1.349 . . . . 0.0 109.864 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.472 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 79.3 p -130.39 163.6 26.55 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -47.69 -40.17 19.39 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 109.713 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.459 ' HZ3' ' CB ' ' B' ' 31' ' ' LYS . 8.3 ttpm? -70.04 -38.05 75.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.855 . . . . 0.0 112.008 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.472 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.0 mt-10 -70.21 -38.76 75.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.82 -1.175 . . . . 0.0 108.473 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.99 -51.06 71.29 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -68.82 -35.52 77.09 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.644 -1.285 . . . . 0.0 112.607 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -71.0 -35.54 72.11 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.342 -1.474 . . . . 0.0 108.888 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 56.4 tp -66.34 -40.06 89.61 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.783 -0.573 . . . . 0.0 112.104 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.8 -40.21 17.47 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.601 -1.312 . . . . 0.0 113.081 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.483 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.3 pp0? -63.72 -38.59 91.66 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 110.238 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.483 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.4 m -72.67 -50.0 27.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.243 -177.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 22.8 mp0 -81.91 -52.01 7.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.129 -0.982 . . . . 0.0 111.3 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.6 77.8 1.65 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.164 -0.96 . . . . 0.0 108.912 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 47.5 m -86.14 -21.73 27.43 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -118.1 3.22 12.08 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.748 -1.22 . . . . 0.0 112.392 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -120.38 -45.17 2.44 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.778 -1.201 . . . . 0.0 109.582 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.14 137.7 47.53 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -123.09 156.76 34.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.746 -1.221 . . . . 0.0 110.224 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.531 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 29.1 m -155.87 -36.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -88.39 -29.41 20.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.92 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.62 -39.97 93.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.799 -1.188 . . . . 0.0 108.869 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -123.35 113.32 18.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.252 0.549 . . . . 0.0 110.295 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.05 75.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.077 -1.015 . . . . 0.0 108.63 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -61.09 -36.33 79.38 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.3 79.56 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.914 -1.116 . . . . 0.0 110.75 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 25.8 t -71.75 -57.63 6.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.153 -0.967 . . . . 0.0 111.823 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -60.26 -42.49 95.48 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.663 -1.273 . . . . 0.0 111.438 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.465 ' CG ' ' HZ2' ' D' ' 7' ' ' LYS . 6.0 mptp? -70.27 -37.05 74.79 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.153 -0.967 . . . . 0.0 111.774 -177.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' B' ' 61' ' ' LEU . 81.6 mt -81.16 -53.91 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.675 -1.266 . . . . 0.0 110.704 -177.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.93 -48.8 80.2 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.675 -0.641 . . . . 0.0 111.483 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -65.9 -39.6 90.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.961 -1.087 . . . . 0.0 110.429 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.63 -17.05 34.82 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.822 -1.174 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.655 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.8 tp -83.36 -21.98 32.94 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' B' ' 65' ' ' GLY . 38.8 t0 -88.27 47.88 1.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.655 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.9 tt0 -39.52 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 111.222 -2.717 . . . . 0.0 110.544 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' B' ' 62' ' ' ASP . 87.5 m-20 -86.77 0.74 54.19 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.732 -1.23 . . . . 0.0 108.203 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.87 36.21 89.3 Favored Glycine 0 N--CA 1.496 2.658 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.061 177.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.7 p30 -103.08 -8.48 20.5 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.994 -1.298 . . . . 0.0 110.557 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . 0.555 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.15 -10.05 55.11 Favored Glycine 0 N--CA 1.496 2.675 0 O-C-N 120.672 -1.268 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.571 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 95.0 mt-10 -116.42 144.25 44.54 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -101.9 130.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 O-C-N 121.231 -0.918 . . . . 0.0 110.704 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 94.9 m-20 -81.27 160.11 24.32 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.2 p90 -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 110.06 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.487 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -63.52 -40.21 96.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.026 -1.046 . . . . 0.0 111.473 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -68.41 -40.05 81.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.6 -1.313 . . . . 0.0 110.343 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.436 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 36.2 t80 -63.83 -52.54 59.67 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.574 -0.704 . . . . 0.0 112.466 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.01 -34.58 56.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.694 -0.629 . . . . 0.0 111.641 -177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.48 -59.44 3.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 120.968 -1.083 . . . . 0.0 112.238 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.07 -40.09 82.81 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.664 -1.272 . . . . 0.0 112.927 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 18.6 m -65.54 -38.24 81.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 120.84 -1.162 . . . . 0.0 111.458 -177.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -76.69 -25.19 53.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.303 -0.873 . . . . 0.0 109.839 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.78 -1.2 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.495 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 63.2 mt -94.02 -35.44 12.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.913 -1.117 . . . . 0.0 109.354 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 5.2 t -66.46 -48.09 71.02 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.609 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.445 ' N ' ' CG2' ' B' ' 82' ' ' THR . 46.3 t -71.05 -41.68 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.832 -1.167 . . . . 0.0 109.919 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.26 71.72 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.385 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 57.1 m -63.61 -40.11 96.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.917 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . 0.583 HD22 ' CE ' ' A' ' 8' ' ' MET . 82.3 m-20 -70.01 -30.38 67.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.609 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.638 -0.664 . . . . 0.0 110.927 -178.45 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.9 m170 . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.795 0.331 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -64.5 -49.03 72.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.85 -1.156 . . . . 0.0 110.196 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 56.3 tp -70.06 -42.78 72.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.365 -0.835 . . . . 0.0 110.957 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.74 -39.99 84.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.997 -1.065 . . . . 0.0 109.13 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 0.0 109.326 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 49.4 m170 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.846 0.355 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.4 -49.21 72.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.767 -1.208 . . . . 0.0 110.134 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.04 -42.77 72.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.392 -0.818 . . . . 0.0 110.856 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.64 -39.94 84.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.998 -1.063 . . . . 0.0 109.189 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 179.865 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 68.5 mm-40 -63.87 -57.54 9.51 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.05 -1.031 . . . . 0.0 111.109 -178.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.6 tp -59.92 -34.22 72.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.19 -0.944 . . . . 0.0 109.606 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.93 -44.47 94.32 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.895 0.855 . . . . 0.0 108.809 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 26.7 p -67.49 -30.41 70.09 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.521 -0.737 . . . . 0.0 109.28 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -55.09 -47.74 74.53 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.556 -0.715 . . . . 0.0 109.503 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' MET . . . . . 0.454 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 27.9 ttt -59.96 -39.95 87.37 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.968 -1.082 . . . . 0.0 108.97 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.93 -39.97 93.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.426 -0.796 . . . . 0.0 110.563 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 14.9 p -67.69 -44.86 76.77 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.483 -0.76 . . . . 0.0 111.212 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.91 -40.06 87.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 110.379 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.79 -30.68 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.341 -0.849 . . . . 0.0 112.636 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -65.21 -39.92 93.45 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.95 -1.719 . . . . 0.0 108.799 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.2 m -78.05 -38.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.134 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.06 -49.49 77.44 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.167 -0.958 . . . . 0.0 110.658 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -76.46 -24.62 53.87 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.472 -0.768 . . . . 0.0 111.742 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.19 -63.7 1.36 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.399 -1.438 . . . . 0.0 110.896 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.535 -1.353 . . . . 0.0 110.169 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -66.24 -7.81 20.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.492 -0.755 . . . . 0.0 110.901 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.0 15.21 60.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.264 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -141.56 148.05 38.69 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 121.161 1.801 . . . . 0.0 110.169 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.7 mm? -96.09 165.01 12.45 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.931 0.872 . . . . 0.0 110.662 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 98.8 p -127.4 160.49 31.26 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -49.46 -40.64 37.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.801 -1.187 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 18.4 tptm -70.64 -30.4 67.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.2 -0.938 . . . . 0.0 111.192 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 94.3 mt-10 -77.19 -35.36 55.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.73 -1.232 . . . . 0.0 108.887 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.99 -43.96 94.13 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.65 -0.656 . . . . 0.0 110.981 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.537 ' CB ' ' HZ1' ' A' ' 34' ' ' LYS . 9.2 mtpm? -65.21 -42.49 93.46 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -0.88 . . . . 0.0 112.453 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 12.2 p-10 -75.36 -27.38 59.13 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 109.612 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.1 -40.09 94.08 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.54 -0.725 . . . . 0.0 112.226 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 mt -86.28 -35.09 20.15 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.646 -1.284 . . . . 0.0 113.218 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CD ' ' NE2' ' A' ' 48' ' ' GLN . 6.8 pt20 -69.19 -36.89 77.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.418 -1.426 . . . . 0.0 110.569 -177.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.9 m -72.43 -49.91 30.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.654 -0.654 . . . . 0.0 112.077 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -86.02 -47.88 9.18 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.01 -1.056 . . . . 0.0 111.001 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -105.38 70.83 0.9 Allowed 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.6 p -80.02 -23.55 41.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.792 -0.568 . . . . 0.0 112.323 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -105.75 4.16 29.64 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.872 -1.142 . . . . 0.0 111.897 -177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -125.57 -66.67 0.93 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.892 -1.13 . . . . 0.0 109.902 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.5 mm? -83.64 134.53 34.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.183 -0.948 . . . . 0.0 108.775 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -115.5 150.05 37.13 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.905 ' H ' ' HZ2' ' A' ' 49' ' ' LYS . 2.8 m -151.52 -36.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . 0.597 ' H ' ' NZ ' ' A' ' 49' ' ' LYS . 64.7 mt-30 -77.87 -51.81 9.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.873 -0.517 . . . . 0.0 111.86 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . 0.905 ' HZ2' ' H ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -67.76 -39.97 84.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.667 -1.271 . . . . 0.0 109.88 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -100.09 94.54 6.3 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.129 -0.982 . . . . 0.0 109.987 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.0 75.39 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.01 -40.08 88.01 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.9 -54.54 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.859 . . . . 0.0 112.043 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 61.4 t0 -60.08 -40.04 88.17 Favored 'General case' 0 C--N 1.288 -2.084 0 O-C-N 120.402 -1.436 . . . . 0.0 110.766 -177.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 6.0 mptp? -70.23 -36.23 74.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.089 -1.007 . . . . 0.0 111.938 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.3 pp -82.37 -53.36 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 119.974 -1.704 . . . . 0.0 109.654 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -59.93 -48.24 82.51 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.354 -0.841 . . . . 0.0 112.317 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.74 -40.01 84.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.471 -1.393 . . . . 0.0 110.766 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 25.0 mp0 -89.51 -16.9 29.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.796 -1.19 . . . . 0.0 110.494 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.598 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.2 tp -78.73 -18.27 54.52 Favored 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 65' ' ' GLY . 11.4 m-20 -91.27 40.32 1.03 Allowed 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 174.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.598 ' H ' ' C ' ' A' ' 61' ' ' LEU . 83.0 tt0 -39.11 -19.74 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 112.167 -2.288 . . . . 0.0 110.505 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 62' ' ' ASP . 96.9 m-20 -87.59 -5.35 58.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.669 -1.269 . . . . 0.0 108.669 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 84.24 33.15 21.09 Favored Glycine 0 N--CA 1.482 1.718 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.664 ' C ' ' H ' ' A' ' 68' ' ' GLU . 65.7 m-20 -106.31 115.94 31.08 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.74 9.02 0.46 Allowed Glycine 0 C--N 1.281 -2.495 0 C-N-CA 117.642 -2.218 . . . . 0.0 109.035 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.664 ' H ' ' C ' ' A' ' 66' ' ' ASP . 36.8 mp0 -120.07 139.98 51.71 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.05 130.01 51.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 122.209 1.004 . . . . 0.0 111.339 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -79.92 162.39 25.0 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 47.0 p90 -60.02 -39.35 85.57 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.098 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.465 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 61.1 tt0 -66.42 -40.0 89.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 0.0 110.281 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.39 -40.12 74.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.712 -1.242 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -70.49 -39.68 74.05 Favored 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.252 -0.905 . . . . 0.0 111.797 -178.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 10.5 p -69.83 -33.62 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.254 -0.904 . . . . 0.0 111.004 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.3 t -68.93 -59.43 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.908 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.71 -50.71 48.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.872 -1.143 . . . . 0.0 112.355 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -60.1 -39.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.844 -1.16 . . . . 0.0 110.897 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.63 27.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.4 mt -63.84 -25.87 68.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.407 -0.808 . . . . 0.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.471 ' CG2' ' SD ' ' B' ' 8' ' ' MET . 86.9 m -63.04 -55.34 26.44 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.598 -0.689 . . . . 0.0 110.932 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -80.45 -37.87 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.009 -1.057 . . . . 0.0 110.824 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' ' 87' ' ' ASN . . . -59.93 -39.78 86.69 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.435 0.636 . . . . 0.0 110.307 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 91.3 m -70.31 -39.97 74.49 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.1 -50.06 75.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.14 -0.975 . . . . 0.0 111.763 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 20.3 p-10 . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.93 -1.106 . . . . 0.0 110.449 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.466 ' O ' ' OG1' ' B' ' 6' ' ' THR . 67.7 mm-40 -63.45 -57.64 9.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.971 -1.08 . . . . 0.0 111.163 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -59.99 -34.31 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.64 -44.78 93.39 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.96 0.886 . . . . 0.0 108.96 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.3 p -67.34 -28.99 68.43 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.468 -0.77 . . . . 0.0 109.233 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.457 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -57.12 -46.51 82.58 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.36 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 82' ' ' THR . 28.0 ttt -60.09 -39.74 87.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.97 -40.07 94.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.369 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.5 p -67.93 -44.63 76.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.246 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.95 -40.08 87.75 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.266 -0.896 . . . . 0.0 110.41 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.56 -34.42 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.441 -0.787 . . . . 0.0 112.134 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -62.13 -39.94 94.25 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 120.174 -1.579 . . . . 0.0 108.913 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -78.88 -37.59 20.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.133 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . 0.453 ' O ' ' OG ' ' B' ' 19' ' ' SER . 64.9 t80 -60.0 -49.65 76.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.945 . . . . 0.0 110.608 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -76.54 -24.53 53.64 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.69 . . . . 0.0 111.62 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.94 1.3 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.422 -1.424 . . . . 0.0 110.863 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -60.06 -39.92 87.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.63 -1.293 . . . . 0.0 110.143 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 18.7 m -66.12 -7.97 20.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.498 -0.751 . . . . 0.0 110.987 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.01 15.29 60.76 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.272 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -141.46 148.16 39.04 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 119.871 -1.768 . . . . 0.0 110.131 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . 0.473 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.7 mm? -96.28 164.72 12.54 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.989 0.899 . . . . 0.0 110.661 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 95.6 p -127.04 160.61 30.61 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -49.69 -40.32 39.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.78 -1.2 . . . . 0.0 110.346 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . 0.419 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 19.1 tptm -71.1 -29.98 65.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.044 -1.035 . . . . 0.0 111.254 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.464 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 94.1 mt-10 -77.4 -34.94 54.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.636 -1.29 . . . . 0.0 108.851 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.47 -43.63 93.6 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.686 -0.634 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . 0.4 ' HB3' ' HZ2' ' B' ' 34' ' ' LYS . 9.0 mtpm? -65.47 -42.16 92.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.213 -0.929 . . . . 0.0 112.545 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 12.2 p-10 -75.49 -27.49 58.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.579 -1.326 . . . . 0.0 109.542 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.03 -40.0 94.2 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.541 -0.724 . . . . 0.0 112.163 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -86.12 -35.96 19.88 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.615 -1.303 . . . . 0.0 113.17 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.465 ' CD ' ' NE2' ' B' ' 48' ' ' GLN . 6.7 pt20 -68.27 -37.11 80.38 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.543 -1.348 . . . . 0.0 110.57 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -72.48 -49.97 29.31 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.629 -0.669 . . . . 0.0 112.28 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -86.05 -47.68 9.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.058 -1.027 . . . . 0.0 110.91 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -105.53 70.78 0.89 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -80.06 -23.34 41.44 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -105.75 3.87 29.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.91 -1.119 . . . . 0.0 111.927 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.45 -66.5 0.95 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.995 -1.066 . . . . 0.0 109.929 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.5 mm? -83.7 134.45 34.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.142 -0.974 . . . . 0.0 108.707 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -115.46 150.01 37.16 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.838 ' H ' ' HZ1' ' B' ' 49' ' ' LYS . 2.8 m -151.54 -36.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . 0.586 ' H ' ' NZ ' ' B' ' 49' ' ' LYS . 65.6 mt-30 -77.86 -51.59 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.787 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . 0.838 ' HZ1' ' H ' ' B' ' 47' ' ' VAL . 0.0 OUTLIER -67.81 -40.1 83.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.726 -1.234 . . . . 0.0 109.851 -179.196 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -99.95 94.58 6.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.181 -0.95 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -36.79 74.96 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.35 -39.97 89.05 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.85 81.04 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.381 -0.824 . . . . 0.0 110.97 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.04 -54.33 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 111.786 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 61.5 t0 -59.98 -40.07 87.83 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.512 -1.367 . . . . 0.0 110.745 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.447 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 5.9 mptp? -70.25 -36.58 74.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 0.0 111.779 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.4 pp -82.05 -53.4 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 119.969 -1.707 . . . . 0.0 109.698 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.06 -48.16 82.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.251 -0.906 . . . . 0.0 112.255 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -67.63 -39.99 84.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.458 -1.401 . . . . 0.0 110.767 -178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 25.2 mp0 -89.6 -16.91 29.51 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.708 -1.245 . . . . 0.0 110.485 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.584 ' C ' ' H ' ' B' ' 63' ' ' GLU . 69.4 tp -78.6 -18.45 54.55 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 105.901 -1.888 . . . . 0.0 105.901 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 64' ' ' ASN . 11.3 m-20 -91.06 40.0 1.01 Allowed 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 174.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.584 ' H ' ' C ' ' B' ' 61' ' ' LEU . 80.2 tt0 -38.9 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 62' ' ' ASP . 96.6 m-20 -87.53 -5.53 58.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.62 -1.3 . . . . 0.0 108.724 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.38 31.08 23.15 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.706 -1.357 . . . . 0.0 109.706 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.653 ' C ' ' H ' ' B' ' 68' ' ' GLU . 66.4 m-20 -104.76 116.08 31.42 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.04 9.25 0.49 Allowed Glycine 0 C--N 1.281 -2.516 0 C-N-CA 117.573 -2.251 . . . . 0.0 108.865 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.653 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.8 mp0 -120.01 140.77 50.46 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.41 130.37 51.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 122.158 0.98 . . . . 0.0 111.221 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -80.08 162.39 24.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.47 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 47.0 p90 -59.96 -39.42 85.53 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.393 -0.817 . . . . 0.0 110.07 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.47 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 61.3 tt0 -66.37 -40.07 89.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.878 -1.139 . . . . 0.0 110.273 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.43 -40.04 74.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.569 -1.332 . . . . 0.0 111.082 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -70.35 -39.99 74.34 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.234 -0.916 . . . . 0.0 111.816 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . 0.449 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 9.6 p -69.9 -33.11 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.188 -0.945 . . . . 0.0 111.019 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.13 -59.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.236 -0.915 . . . . 0.0 110.968 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.99 -49.76 54.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.953 -1.092 . . . . 0.0 112.488 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.68 -40.0 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.88 -1.138 . . . . 0.0 110.736 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.59 -24.41 60.07 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -58.41 6.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.049 -1.032 . . . . 0.0 108.253 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.4 -26.74 65.4 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.584 0.707 . . . . 0.0 109.759 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.454 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 87.2 m -63.21 -55.29 26.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.437 -0.79 . . . . 0.0 111.081 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -80.48 -37.72 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.083 -1.011 . . . . 0.0 110.793 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . 0.44 ' O ' ' OD1' ' B' ' 87' ' ' ASN . . . -60.06 -39.52 86.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.412 0.625 . . . . 0.0 110.236 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 77.1 m -70.5 -39.97 73.82 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.21 -50.05 75.21 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.192 -0.942 . . . . 0.0 111.773 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' B' ' 84' ' ' ALA . 20.2 p-10 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 120.937 -1.102 . . . . 0.0 110.425 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.1 t60 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.181 0.515 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -45.9 91.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.196 -0.94 . . . . 0.0 110.846 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 tp -68.98 -56.73 6.89 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.977 -1.077 . . . . 0.0 111.17 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.36 -39.53 90.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.071 . . . . 0.0 110.107 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 N--CA 1.491 1.589 0 O-C-N 120.817 -1.177 . . . . 0.0 110.206 -179.097 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.979 0.419 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -45.36 94.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 110.996 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 tp -69.43 -56.68 6.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 111.198 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.89 -39.75 90.47 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.071 -178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.166 -179.152 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.499 2.002 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.494 ' O ' ' OG1' ' A' ' 6' ' ' THR . 59.1 mp0 -64.43 -50.92 65.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.08 -40.02 88.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.08 -47.79 74.41 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.025 0.917 . . . . 0.0 108.846 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.3 p -65.98 -30.13 70.63 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -59.95 -46.72 88.5 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.089 -178.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt -60.27 -43.65 96.01 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.709 -1.244 . . . . 0.0 109.785 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.64 -40.18 96.23 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.483 -0.761 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 14.3 p -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.578 -0.701 . . . . 0.0 109.934 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.5 mt -58.37 -35.43 71.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.368 -0.832 . . . . 0.0 110.575 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mm -79.98 -29.35 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 120.348 -1.47 . . . . 0.0 111.342 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -64.29 -40.49 96.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.027 -1.671 . . . . 0.0 109.635 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.0 m -81.19 -38.13 16.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.581 -0.699 . . . . 0.0 111.013 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.86 -50.18 74.78 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.885 -1.134 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.524 -0.735 . . . . 0.0 110.744 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.35 -64.72 1.12 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.706 -1.246 . . . . 0.0 111.048 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -65.41 -40.08 92.94 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.597 -1.314 . . . . 0.0 111.431 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 5.6 m -68.4 -14.4 62.97 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.282 -0.886 . . . . 0.0 111.141 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.46 14.09 56.66 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt . . . . . 0 N--CA 1.491 1.595 0 O-C-N 120.548 -1.56 . . . . 0.0 107.624 178.729 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -133.34 138.71 46.47 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.266 -1.521 . . . . 0.0 107.032 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 7.4 tp -95.0 157.42 15.9 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' SER . . . . . 0.453 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 45.9 t -136.54 165.77 25.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.467 -0.77 . . . . 0.0 109.865 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -47.72 -47.91 29.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.308 -0.87 . . . . 0.0 111.66 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -70.86 -26.02 63.07 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.414 -1.429 . . . . 0.0 111.629 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.453 ' HB2' ' H ' ' A' ' 29' ' ' SER . 33.1 mt-10 -74.61 -39.03 62.41 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.936 -1.102 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.08 -36.67 58.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 111.0 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.15 -41.32 92.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.625 -1.297 . . . . 0.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 54.1 t0 -79.39 -31.91 42.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.269 -0.894 . . . . 0.0 110.97 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 47.4 tp -66.21 -39.96 89.99 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.428 -0.795 . . . . 0.0 112.944 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp -86.05 -40.11 16.1 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.568 -1.333 . . . . 0.0 113.166 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 39' ' ' THR . 2.9 pt20 -64.81 -40.98 96.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.425 -1.422 . . . . 0.0 110.823 -177.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -70.74 -40.38 72.77 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.294 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 26.7 mp0 -95.02 -15.41 23.51 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.028 -1.045 . . . . 0.0 111.482 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.81 75.55 1.58 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.126 -0.984 . . . . 0.0 108.801 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 43' ' ' SER . 58.3 p -85.25 141.58 30.01 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.35 0.595 . . . . 0.0 109.395 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.7 OUTLIER 73.17 -2.77 2.63 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.466 -0.771 . . . . 0.0 110.929 179.016 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -109.14 -67.09 1.0 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.492 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.4 mm? -97.93 140.2 32.63 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -124.87 153.3 42.81 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 109.098 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.3 m -158.21 -35.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -86.8 -20.96 26.8 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.315 -0.865 . . . . 0.0 110.198 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.61 -38.93 81.0 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -128.64 118.84 23.61 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.701 -0.624 . . . . 0.0 110.207 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -26.69 64.42 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -68.41 -26.12 65.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 108.779 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.11 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.114 -0.991 . . . . 0.0 110.412 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 10.5 t -69.65 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 112.331 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 20.8 p-10 -63.74 -40.06 95.82 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 120.7 -1.25 . . . . 0.0 111.05 -177.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 68.3 mttm -70.02 -38.84 76.01 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.198 -0.939 . . . . 0.0 111.655 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 61' ' ' LEU . 80.2 mt -82.04 -55.61 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.149 -0.969 . . . . 0.0 110.496 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' MET . . . . . 0.408 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.1 tmt? -60.39 -43.99 96.09 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.731 -0.606 . . . . 0.0 112.029 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.42 -36.37 78.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.401 -1.437 . . . . 0.0 109.136 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.99 -16.29 36.19 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.428 -0.795 . . . . 0.0 109.501 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.634 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.7 tp -85.07 -18.03 35.58 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 65' ' ' GLY . 6.9 m-20 -91.81 40.57 1.04 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.266 -2.864 . . . . 0.0 103.266 173.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.634 ' H ' ' C ' ' A' ' 61' ' ' LEU . 11.5 pt-20 -36.87 -20.59 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 111.705 -2.498 . . . . 0.0 110.939 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 62' ' ' ASP . 97.5 m-20 -85.02 5.88 27.55 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.03 35.95 78.97 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 68' ' ' GLU . 42.7 p-10 -101.73 -16.42 16.66 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.079 -1.247 . . . . 0.0 110.595 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.9 -13.63 13.03 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 66' ' ' ASP . 99.4 mt-10 -107.86 133.64 51.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.13 139.71 21.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 O-C-N 121.461 -0.774 . . . . 0.0 110.581 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' GLN . 91.5 m-20 -97.62 122.73 41.03 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.365 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.4 p90 -27.43 -37.18 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLN . . . . . 0.555 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.1 tt0 -60.17 -42.08 94.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.87 -1.144 . . . . 0.0 109.813 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.5 mt-10 -66.51 -40.11 89.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.054 -1.029 . . . . 0.0 109.79 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.12 -40.14 88.67 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.37 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -71.53 -36.27 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.952 -1.092 . . . . 0.0 111.514 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.03 -58.46 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.061 . . . . 0.0 111.233 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.06 -44.26 69.52 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.064 -1.023 . . . . 0.0 113.017 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.07 -39.79 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 120.564 -1.335 . . . . 0.0 110.616 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.91 -26.67 49.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.109 -0.994 . . . . 0.0 110.227 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.07 67.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.768 -1.207 . . . . 0.0 109.137 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.504 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 24.6 mt -93.15 -25.12 18.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.587 -0.695 . . . . 0.0 109.977 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -69.7 -53.03 20.49 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.016 -178.561 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' N ' ' CG2' ' A' ' 82' ' ' THR . 2.2 t -73.86 -39.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.8 -1.187 . . . . 0.0 109.611 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.14 76.32 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.465 -0.772 . . . . 0.0 109.593 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.8 m -63.41 -40.02 96.06 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.167 -0.958 . . . . 0.0 109.383 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -60.9 -40.04 91.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.34 -0.85 . . . . 0.0 109.379 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.5 t30 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.277 -0.889 . . . . 0.0 110.571 -178.834 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.498 1.964 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.498 ' O ' ' OG1' ' B' ' 6' ' ' THR . 58.9 mp0 -64.25 -50.86 66.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.64 -39.51 88.54 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.566 -0.709 . . . . 0.0 109.827 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.53 -47.74 75.8 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 122.172 0.987 . . . . 0.0 108.584 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.0 p -66.17 -29.56 69.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.75 -0.594 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ALA . . . . . 0.483 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -60.21 -45.83 91.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.344 -0.847 . . . . 0.0 109.895 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.13 -43.84 95.39 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.069 -1.019 . . . . 0.0 109.735 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.93 -40.11 95.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 110.579 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 12.7 p -61.63 -44.59 96.7 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 109.854 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.7 -35.88 71.23 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.585 -0.697 . . . . 0.0 110.394 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -79.61 -30.53 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 O-C-N 120.31 -1.494 . . . . 0.0 111.505 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -63.11 -40.23 97.02 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.122 -1.611 . . . . 0.0 109.655 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -81.96 -37.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.46 -0.775 . . . . 0.0 110.896 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 110.852 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -72.46 -22.39 61.08 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.588 -0.695 . . . . 0.0 110.559 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -65.0 1.06 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.671 -1.268 . . . . 0.0 111.062 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -65.15 -39.9 93.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.655 -1.278 . . . . 0.0 111.424 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 m -68.55 -14.35 62.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -0.915 . . . . 0.0 111.013 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.36 13.54 56.93 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt . . . . . 0 N--CA 1.493 1.7 0 O-C-N 120.543 -1.563 . . . . 0.0 107.679 178.849 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' LYS . . . . . 0.485 ' HZ2' ' CB ' ' B' ' 68' ' ' GLU . 3.0 tptp -133.3 138.51 46.44 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.257 -1.527 . . . . 0.0 107.073 176.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -94.98 157.68 15.79 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 42.0 t -137.13 165.05 26.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.416 -0.802 . . . . 0.0 109.926 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -46.65 -48.32 19.98 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.287 -0.883 . . . . 0.0 111.757 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -71.22 -24.97 62.3 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.368 -1.458 . . . . 0.0 111.746 -178.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' GLU . . . . . 0.438 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.6 mt-10 -75.18 -38.89 60.67 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -75.81 -36.98 59.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.424 -0.798 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.755 -1.216 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.3 t0 -79.78 -31.67 40.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.291 -0.88 . . . . 0.0 110.789 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.473 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.7 tp -66.27 -40.0 89.81 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 112.912 -177.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp -86.05 -40.05 16.16 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.413 -1.429 . . . . 0.0 113.12 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' B' ' 39' ' ' THR . 3.0 pt20 -64.77 -40.94 96.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.605 -1.31 . . . . 0.0 110.724 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -70.79 -40.04 72.8 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.541 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 26.2 mp0 -95.29 -15.65 23.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.074 -1.016 . . . . 0.0 111.399 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -134.77 75.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.949 -1.095 . . . . 0.0 108.983 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 43' ' ' SER . 52.3 p -85.51 141.4 29.92 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.39 0.614 . . . . 0.0 109.524 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.7 OUTLIER 73.38 -2.86 2.62 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.66 -0.65 . . . . 0.0 110.777 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -109.05 -67.43 0.98 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 45' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -97.77 140.08 32.69 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -124.55 153.7 41.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.874 -1.141 . . . . 0.0 109.27 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 47' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 15.3 m -158.47 -36.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -86.88 -20.53 27.29 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.76 -39.13 80.41 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -128.83 119.4 24.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.503 -0.748 . . . . 0.0 109.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.25 64.08 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.78 -25.71 64.84 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 108.911 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -38.63 66.4 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.267 -0.896 . . . . 0.0 110.726 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 54' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 11.5 t -70.75 -55.57 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.895 . . . . 0.0 112.02 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 55' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 20.4 p-10 -63.9 -40.05 95.6 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 120.805 -1.184 . . . . 0.0 111.09 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 56' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 68.7 mttm -69.94 -38.62 76.22 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 111.836 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 57' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' B' ' 61' ' ' LEU . 85.3 mt -82.21 -55.37 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.195 -0.94 . . . . 0.0 110.399 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -45.06 94.05 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.693 -0.629 . . . . 0.0 112.102 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.9 -36.22 79.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.647 -1.283 . . . . 0.0 109.087 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -87.28 -16.2 35.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.372 -0.83 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 61' ' ' LEU . . . . . 0.629 ' C ' ' H ' ' B' ' 63' ' ' GLU . 52.3 tp -84.93 -18.44 34.62 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 62' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' B' ' 65' ' ' GLY . 7.9 m-20 -91.55 40.72 1.04 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 103.38 -2.822 . . . . 0.0 103.38 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 63' ' ' GLU . . . . . 0.629 ' H ' ' C ' ' B' ' 61' ' ' LEU . 11.5 pt-20 -37.0 -20.55 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 111.688 -2.505 . . . . 0.0 110.907 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 64' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 62' ' ' ASP . 97.7 m-20 -84.83 5.23 29.55 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 65' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 58.75 34.92 79.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 66' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' B' ' 68' ' ' GLU . 43.0 p-10 -100.7 -16.64 17.3 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.008 -1.289 . . . . 0.0 110.402 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.98 -12.54 11.23 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 68' ' ' GLU . . . . . 0.485 ' CB ' ' HZ2' ' B' ' 27' ' ' LYS . 99.4 mt-10 -107.52 135.86 48.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.1 t -102.24 140.14 21.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 O-C-N 121.249 -0.907 . . . . 0.0 110.381 -177.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.4 m-20 -97.88 122.79 41.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.525 -0.734 . . . . 0.0 109.332 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.8 p90 -27.21 -37.45 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 72' ' ' GLN . . . . . 0.55 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.3 tt0 -60.04 -41.88 93.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.912 -1.118 . . . . 0.0 110.013 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 73' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.6 mt-10 -66.79 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.965 . . . . 0.0 109.698 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.58 -36.4 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.006 -1.059 . . . . 0.0 111.352 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.94 -58.47 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.877 -1.139 . . . . 0.0 111.27 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 tt -70.01 -44.47 69.25 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.896 -1.127 . . . . 0.0 112.878 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.33 -39.35 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.612 -1.305 . . . . 0.0 110.579 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.15 -26.69 47.89 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.044 -1.035 . . . . 0.0 110.227 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -21.71 66.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.744 -1.223 . . . . 0.0 109.702 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 81' ' ' LEU . . . . . 0.487 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 23.6 mt -96.16 -25.05 15.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.419 -0.8 . . . . 0.0 109.701 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 82' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -69.76 -52.66 23.38 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.91 -178.33 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 83' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 82' ' ' THR . 2.2 t -74.41 -39.14 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.812 -1.18 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.73 75.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.21 -0.931 . . . . 0.0 109.738 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 85' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 56.1 m -63.19 -39.82 95.74 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.463 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -61.12 -40.09 92.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.398 -0.814 . . . . 0.0 109.595 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 41.7 t30 . . . . . 0 C--N 1.302 -1.489 0 O-C-N 121.528 -0.732 . . . . 0.0 110.528 -178.835 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.554 ' H2 ' ' CD ' ' C' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.02 -41.06 91.36 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.085 -1.009 . . . . 0.0 110.328 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.31 86.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.958 -1.089 . . . . 0.0 110.064 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -72.84 -24.69 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.149 -0.969 . . . . 0.0 109.857 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.3 -0.875 . . . . 0.0 108.982 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.03 -39.76 87.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.411 -0.806 . . . . 0.0 109.578 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.61 -50.17 74.93 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 110.271 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' C' ' 12' ' ' GLN . 55.9 tp -61.17 -49.98 75.03 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 110.973 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.1 mp -68.66 -39.96 80.42 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.155 -0.966 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 84.3 p -69.15 -54.43 14.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.99 -1.069 . . . . 0.0 109.075 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' C' ' 12' ' ' GLN . 3.8 tppp? -69.85 -43.44 71.92 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.378 -0.826 . . . . 0.0 109.296 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' C' ' 8' ' ' LEU . 57.5 tt0 . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.403 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.412 ' HD2' ' H1 ' ' D' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.98 -40.78 90.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.134 -0.979 . . . . 0.0 110.333 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.37 86.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.011 -1.056 . . . . 0.0 110.078 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.92 -24.65 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.166 -0.959 . . . . 0.0 109.87 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -60.02 -40.0 87.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -0.854 . . . . 0.0 108.954 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -59.94 -39.68 86.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.393 -0.817 . . . . 0.0 109.58 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -59.84 -49.98 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.184 -0.947 . . . . 0.0 110.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' D' ' 12' ' ' GLN . 54.9 tp -61.3 -49.99 74.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.097 -1.002 . . . . 0.0 110.887 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.1 mp -68.6 -39.98 80.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.187 -0.945 . . . . 0.0 109.561 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 91.6 p -69.12 -54.47 14.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.106 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' D' ' 12' ' ' GLN . 3.7 tppp? -69.88 -43.36 71.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.344 -0.848 . . . . 0.0 109.339 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' D' ' 8' ' ' LEU . 59.2 tt0 . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.391 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.204 2.442 . . . . 0.0 119.204 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -108.23 15.9 23.71 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.414 -1.051 . . . . 0.0 108.26 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.556 ' OE2' ' ND2' ' B' ' 13' ' ' ASN . 96.9 mt-10 -64.87 -54.99 22.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.758 -0.589 . . . . 0.0 111.055 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 78.5 mt -58.0 -39.66 78.82 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.873 -1.142 . . . . 0.0 111.019 -177.318 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -53.72 -44.42 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.715 -1.24 . . . . 0.0 108.592 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.434 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.5 p -70.58 -34.88 72.68 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.403 -0.811 . . . . 0.0 110.115 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.436 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.36 -52.7 60.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.347 -0.846 . . . . 0.0 110.44 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 ttt -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.768 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.41 -40.02 92.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.303 -0.873 . . . . 0.0 110.507 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 ' H ' ' HG1' ' A' ' 10' ' ' THR . 4.0 p -69.43 -46.1 67.58 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.812 0.815 . . . . 0.0 110.725 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.14 -49.68 76.67 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.762 -0.586 . . . . 0.0 112.305 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.2 mt -76.37 -39.81 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 0.0 112.438 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.553 ' ND2' ' OE2' ' B' ' 3' ' ' GLU . 34.9 t30 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 119.984 -1.697 . . . . 0.0 109.895 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.8 p -80.42 -29.92 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.366 -0.834 . . . . 0.0 110.318 -179.748 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.424 ' O ' ' OG ' ' A' ' 19' ' ' SER . 64.4 t80 -60.03 -53.35 58.9 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.257 -0.902 . . . . 0.0 111.361 -179.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -80.34 -20.83 43.29 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.972 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.38 3.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.574 -1.329 . . . . 0.0 110.696 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -80.38 -25.57 39.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.681 -1.262 . . . . 0.0 111.261 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.599 ' HG ' ' CD1' ' A' ' 28' ' ' LEU . 20.4 m -60.38 -22.99 63.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.661 -1.274 . . . . 0.0 110.818 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.21 28.02 10.15 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -74.1 -41.17 62.08 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.02 -1.282 . . . . 0.0 109.151 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -137.5 -19.35 1.22 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.258 -0.901 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.97 -130.93 3.91 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.904 -1.123 . . . . 0.0 110.48 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.46 163.96 12.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.443 -1.033 . . . . 0.0 109.393 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -51.56 -39.44 57.83 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.38 -0.825 . . . . 0.0 111.425 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -146.83 52.45 1.1 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.259 -1.526 . . . . 0.0 112.669 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 141.53 35.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 175.117 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.599 ' CD1' ' HG ' ' A' ' 19' ' ' SER . 3.2 mm? -98.05 154.36 17.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.762 -1.211 . . . . 0.0 110.651 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.413 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 70.9 m -127.59 160.97 29.95 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' SER . 34.4 ttmt -47.95 -41.16 24.28 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.213 -1.395 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -70.88 -32.6 69.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.117 -0.989 . . . . 0.0 112.193 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.413 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.3 mt-10 -76.47 -38.26 55.63 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.481 -1.387 . . . . 0.0 108.857 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.0 -50.02 75.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.723 -0.611 . . . . 0.0 112.36 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -68.99 -30.0 68.31 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.815 -1.178 . . . . 0.0 112.26 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' O ' ' OG1' ' A' ' 39' ' ' THR . 58.9 t0 -76.25 -35.18 59.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.621 -1.299 . . . . 0.0 109.346 179.702 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -65.92 -36.3 83.0 Favored 'General case' 0 C--N 1.287 -2.122 0 O-C-N 120.881 -1.137 . . . . 0.0 110.593 -178.59 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.36 -39.93 27.58 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.716 -1.24 . . . . 0.0 112.162 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -68.98 -18.3 64.04 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.647 -1.283 . . . . 0.0 108.192 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.429 ' OG1' ' O ' ' A' ' 35' ' ' ASP . 42.1 m -67.74 -70.23 0.27 Allowed 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.814 -0.554 . . . . 0.0 111.064 179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 44.2 tp10 -107.78 -31.86 7.87 Favored 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 120.325 1.42 . . . . 0.0 113.046 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -92.84 66.04 4.24 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.209 -1.557 . . . . 0.0 108.92 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.441 ' C ' ' H ' ' A' ' 44' ' ' PHE . 95.7 p -84.01 144.17 29.29 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.024 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.434 ' OG ' ' O ' ' A' ' 42' ' ' SER . 1.9 p 68.92 -7.0 0.8 Allowed 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.097 -1.002 . . . . 0.0 110.571 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' A' ' 42' ' ' SER . 97.4 m-85 -103.72 -61.19 1.46 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.7 mm? -105.82 136.03 46.19 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -118.9 152.17 36.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.671 -1.268 . . . . 0.0 109.049 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.44 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 34.0 m -159.36 -34.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.407 ' CG ' ' H ' ' A' ' 49' ' ' LYS . 12.7 pt20 -75.85 -55.44 5.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.188 -0.945 . . . . 0.0 111.981 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.407 ' H ' ' CG ' ' A' ' 48' ' ' GLN . 48.1 pttt -70.05 -32.61 70.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.704 -1.248 . . . . 0.0 110.575 -179.027 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.512 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 14.9 p-10 -99.78 94.66 6.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.101 -0.999 . . . . 0.0 109.505 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.95 75.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.48 -0.762 . . . . 0.0 110.373 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -38.31 82.19 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.113 -0.992 . . . . 0.0 108.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.15 90.14 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.641 -0.662 . . . . 0.0 111.277 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 60.1 t -69.59 -55.68 14.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.912 -1.117 . . . . 0.0 112.189 -177.546 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -65.84 -40.43 91.75 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.314 -1.491 . . . . 0.0 111.133 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -70.16 -40.07 74.95 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.082 -1.011 . . . . 0.0 111.723 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' A' ' 61' ' ' LEU . 91.3 mt -80.96 -52.32 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.062 -1.024 . . . . 0.0 110.916 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -62.4 -44.43 96.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.654 -0.654 . . . . 0.0 111.214 -177.853 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -69.41 -35.84 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.917 -1.114 . . . . 0.0 109.831 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.89 -18.65 25.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.122 -0.986 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.65 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.2 tp -75.87 -24.76 55.74 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.0 m-20 -86.97 43.51 1.1 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 175.13 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.65 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.3 tt0 -38.34 -19.13 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 111.878 -2.419 . . . . 0.0 110.639 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 7.9 m120 -88.43 -4.82 58.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.59 -1.319 . . . . 0.0 108.627 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 83.18 36.62 14.34 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.654 ' C ' ' H ' ' A' ' 68' ' ' GLU . 16.2 t0 -109.87 110.2 21.09 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.19 8.36 0.1 OUTLIER Glycine 0 N--CA 1.495 2.616 0 O-C-N 119.067 -2.271 . . . . 0.0 110.198 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.654 ' H ' ' C ' ' A' ' 66' ' ' ASP . 96.9 mt-10 -120.35 143.5 48.37 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.99 136.54 38.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 122.077 0.941 . . . . 0.0 110.975 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.07 163.05 18.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.386 -0.821 . . . . 0.0 108.866 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 53.9 p90 -59.91 -40.05 87.5 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 110.303 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -63.0 -39.95 96.31 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.067 -1.02 . . . . 0.0 111.153 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -68.92 -39.97 79.34 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.477 -1.389 . . . . 0.0 109.769 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.77 -40.04 94.62 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.75 -38.41 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.967 -1.083 . . . . 0.0 111.548 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.38 -58.83 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 112.114 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -39.99 72.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.692 -1.255 . . . . 0.0 112.348 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.0 t -68.87 -38.72 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.811 -1.181 . . . . 0.0 109.961 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.71 -24.75 62.71 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.443 -0.786 . . . . 0.0 109.278 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 -53.04 57.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.965 -1.085 . . . . 0.0 108.62 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -65.09 -25.1 67.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.462 -0.774 . . . . 0.0 109.652 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 88.2 m -64.52 -55.53 19.98 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.69 -177.486 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.48 -32.56 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.989 -1.07 . . . . 0.0 110.605 -178.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.98 -52.46 56.1 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.562 -0.711 . . . . 0.0 110.453 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.08 -39.96 87.87 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 109.922 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 21.4 m120 -60.1 -40.05 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.242 -0.911 . . . . 0.0 110.476 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.99 -43.95 94.83 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.955 -1.09 . . . . 0.0 110.507 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -59.95 -40.05 87.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.894 -1.129 . . . . 0.0 109.322 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 90' ' ' TRP . 19.9 t80 45.75 -169.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.892 0.853 . . . . 0.0 110.633 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.43 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 85.1 t90 -68.8 -16.44 63.79 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.348 0.594 . . . . 0.0 109.57 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -52.82 -24.62 9.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 109.408 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -80.13 -3.61 49.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.118 -0.989 . . . . 0.0 109.441 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.117 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.465 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.893 0 N-CA-C 119.261 2.464 . . . . 0.0 119.261 . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -108.14 15.45 24.19 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.395 -1.062 . . . . 0.0 108.23 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.553 ' OE2' ' ND2' ' A' ' 13' ' ' ASN . 97.3 mt-10 -64.63 -54.78 26.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.742 -0.599 . . . . 0.0 111.011 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 79.2 mt -58.2 -39.7 79.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.871 -1.143 . . . . 0.0 110.906 -177.227 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -53.25 -45.08 68.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.686 -1.259 . . . . 0.0 108.58 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 20.5 p -70.48 -33.26 71.04 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.109 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.452 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -56.23 -51.77 66.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.878 . . . . 0.0 110.279 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.8 ttt -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.41 -0.806 . . . . 0.0 109.711 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.5 -40.01 93.04 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.318 -0.864 . . . . 0.0 110.435 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 3.6 p -69.35 -46.24 67.49 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.715 0.769 . . . . 0.0 110.632 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.04 -49.59 77.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.763 -0.586 . . . . 0.0 112.456 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.31 -39.97 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.126 -0.983 . . . . 0.0 112.389 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.556 ' ND2' ' OE2' ' A' ' 3' ' ' GLU . 33.9 t30 -60.08 -39.93 87.79 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.117 -1.614 . . . . 0.0 109.804 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.7 p -80.31 -30.03 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.338 -0.851 . . . . 0.0 110.344 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.435 ' O ' ' OG ' ' B' ' 19' ' ' SER . 64.9 t80 -60.04 -53.35 58.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 111.428 -179.777 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.3 -20.94 43.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 122.022 -0.424 . . . . 0.0 111.972 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.25 3.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.56 -1.337 . . . . 0.0 110.695 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -80.36 -25.52 39.15 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.682 -1.261 . . . . 0.0 111.285 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.435 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 20.6 m -60.35 -23.05 63.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.627 -1.296 . . . . 0.0 110.824 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 28.33 9.79 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -74.24 -41.33 61.49 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.052 -1.264 . . . . 0.0 109.078 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -137.64 -18.88 1.22 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.23 -0.919 . . . . 0.0 110.276 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -89.3 -131.21 4.14 Favored Glycine 0 N--CA 1.496 2.665 0 O-C-N 120.834 -1.167 . . . . 0.0 110.393 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -96.3 163.99 12.84 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.443 -1.033 . . . . 0.0 109.423 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -51.58 -39.18 57.41 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.411 -0.805 . . . . 0.0 111.465 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -146.98 52.54 1.09 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.283 -1.511 . . . . 0.0 112.682 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.49 141.59 35.37 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 175.072 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -98.26 154.28 17.91 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.644 -1.285 . . . . 0.0 110.708 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.407 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 73.8 m -127.33 161.05 29.54 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.414 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 34.1 ttmt -48.03 -40.93 24.32 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.237 -1.385 . . . . 0.0 109.998 179.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -71.83 -31.75 66.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.095 -1.003 . . . . 0.0 112.009 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.407 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.0 mt-10 -76.6 -38.28 55.08 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.405 -1.435 . . . . 0.0 108.865 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.95 -50.03 75.35 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.747 -0.596 . . . . 0.0 112.455 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -69.21 -29.75 67.78 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.764 -1.21 . . . . 0.0 112.289 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.417 ' O ' ' OG1' ' B' ' 39' ' ' THR . 59.1 t0 -76.29 -35.27 58.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.647 -1.283 . . . . 0.0 109.358 179.608 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -65.88 -36.22 82.83 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 120.902 -1.124 . . . . 0.0 110.666 -178.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.64 -39.23 27.72 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.619 -1.301 . . . . 0.0 112.174 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.61 -18.17 63.59 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.649 -1.282 . . . . 0.0 108.22 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.417 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 37.0 m -67.81 -70.33 0.26 Allowed 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.904 -0.497 . . . . 0.0 111.007 179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 45.0 tp10 -107.56 -31.94 7.9 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.26 1.391 . . . . 0.0 113.101 -177.541 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.4 mt -92.85 66.22 4.26 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.15 -1.594 . . . . 0.0 109.002 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.446 ' O ' ' OG ' ' B' ' 43' ' ' SER . 96.4 p -84.01 144.45 29.11 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.993 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' B' ' 42' ' ' SER . 2.8 p 68.66 -7.28 0.74 Allowed 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.179 -0.951 . . . . 0.0 110.569 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.441 ' H ' ' C ' ' B' ' 42' ' ' SER . 96.9 m-85 -103.3 -61.46 1.41 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 2.6 mm? -105.68 136.38 45.4 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -119.02 152.05 37.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.659 -1.276 . . . . 0.0 109.014 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.439 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 33.9 m -159.25 -34.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.41 ' CG ' ' H ' ' B' ' 49' ' ' LYS . 12.4 pt20 -75.85 -55.42 5.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.175 -0.953 . . . . 0.0 111.983 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.41 ' H ' ' CG ' ' B' ' 48' ' ' GLN . 47.8 pttt -70.03 -32.7 70.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.708 -1.245 . . . . 0.0 110.566 -179.037 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.545 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 14.6 p-10 -99.73 94.66 6.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.097 -1.002 . . . . 0.0 109.573 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.98 -38.17 75.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.532 -0.73 . . . . 0.0 110.399 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -37.78 80.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.108 -0.995 . . . . 0.0 108.383 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.26 82.71 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.668 -0.645 . . . . 0.0 111.785 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 62.4 t -71.46 -55.6 13.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.897 -1.127 . . . . 0.0 112.085 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.414 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 80.7 m-20 -65.84 -40.23 91.55 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.397 -1.439 . . . . 0.0 111.116 -177.447 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -40.0 74.13 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.091 -1.006 . . . . 0.0 111.677 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' LEU . 92.0 mt -80.99 -52.41 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.5 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.685 -0.634 . . . . 0.0 111.364 -177.911 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -69.2 -36.01 76.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.913 -1.117 . . . . 0.0 109.844 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.8 -18.63 25.91 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.987 . . . . 0.0 109.718 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.64 ' C ' ' H ' ' B' ' 63' ' ' GLU . 44.0 tp -75.89 -24.8 55.68 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' B' ' 64' ' ' ASN . 15.1 m-20 -86.9 43.38 1.09 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.64 ' H ' ' C ' ' B' ' 61' ' ' LEU . 84.0 tt0 -38.2 -19.24 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 112.016 -2.356 . . . . 0.0 110.6 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' B' ' 62' ' ' ASP . 7.7 m120 -88.3 -4.94 58.61 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.65 -1.281 . . . . 0.0 108.758 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 84.15 34.31 18.02 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.642 ' C ' ' H ' ' B' ' 68' ' ' GLU . 18.2 t0 -107.92 110.33 22.05 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.64 8.61 0.12 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 118.999 -2.313 . . . . 0.0 110.118 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.642 ' H ' ' C ' ' B' ' 66' ' ' ASP . 96.8 mt-10 -120.38 143.36 48.47 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.39 136.75 36.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 CA-C-O 122.038 0.923 . . . . 0.0 110.96 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.2 163.07 18.01 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.7 p90 -59.98 -39.99 87.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.12 -0.988 . . . . 0.0 110.248 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.535 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.5 tt0 -62.91 -40.02 96.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.081 -1.012 . . . . 0.0 111.134 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.458 -1.401 . . . . 0.0 109.767 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -64.79 -39.96 94.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.74 -38.2 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.863 -1.148 . . . . 0.0 111.584 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.54 -58.81 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.07 -1.019 . . . . 0.0 112.131 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.69 -40.05 73.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.644 -1.285 . . . . 0.0 112.26 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.11 -38.55 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.812 -1.18 . . . . 0.0 109.87 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -24.33 62.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.437 -0.789 . . . . 0.0 109.419 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.53 -57.37 10.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.14 -26.15 66.06 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.543 0.687 . . . . 0.0 109.771 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 91.1 m -64.51 -55.63 19.37 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.069 -1.019 . . . . 0.0 110.834 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.4 -32.21 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.88 -1.138 . . . . 0.0 110.704 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.18 51.3 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.572 0.701 . . . . 0.0 110.339 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.6 m -60.01 -40.05 87.9 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.643 -0.661 . . . . 0.0 109.771 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 82' ' ' THR . 21.8 m120 -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.154 -0.966 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -60.04 -43.83 95.07 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.983 -1.073 . . . . 0.0 110.525 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -59.99 -40.01 87.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.902 -1.124 . . . . 0.0 109.308 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' B' ' 90' ' ' TRP . 19.4 t80 45.73 -169.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.845 0.831 . . . . 0.0 110.672 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.431 ' N ' ' CG ' ' B' ' 89' ' ' PHE . 84.9 t90 -68.89 -16.49 63.77 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.38 0.609 . . . . 0.0 109.526 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -52.79 -24.51 9.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.341 -0.849 . . . . 0.0 109.424 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -80.33 -3.43 49.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.155 -0.966 . . . . 0.0 109.389 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.112 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.97 -40.03 87.67 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.095 -1.003 . . . . 0.0 109.457 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.88 -40.37 79.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.179 -0.951 . . . . 0.0 108.749 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.67 -40.02 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -31.49 71.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.608 -0.683 . . . . 0.0 109.467 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -59.48 -40.01 85.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.801 -1.187 . . . . 0.0 108.888 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -60.04 -48.91 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.427 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 34.8 tp -60.0 -50.13 74.95 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.915 -178.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.74 -39.98 95.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.0 110.136 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 42.0 t -62.74 -41.35 99.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.077 -1.015 . . . . 0.0 110.992 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -100.89 0.12 37.87 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.053 -1.029 . . . . 0.0 110.889 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 120.8 -1.188 . . . . 0.0 108.879 -179.811 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -60.06 -39.99 87.93 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.52 79.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 108.758 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.62 -39.99 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -31.27 71.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.557 -0.714 . . . . 0.0 109.494 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -59.61 -40.01 86.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.787 -1.196 . . . . 0.0 108.778 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -59.96 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 33.9 tp -60.08 -50.15 74.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.31 -0.868 . . . . 0.0 110.899 -178.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.65 -39.95 95.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t -63.11 -41.05 99.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.94 . . . . 0.0 110.896 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -100.86 0.08 37.88 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.017 -1.052 . . . . 0.0 110.996 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.494 1.729 0 O-C-N 120.78 -1.2 . . . . 0.0 108.888 -179.694 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.883 0 N-CA-C 119.721 2.648 . . . . 0.0 119.721 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -108.45 4.89 24.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.318 -1.107 . . . . 0.0 108.631 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.9 mt-10 -60.13 -56.93 15.54 Favored 'General case' 0 C--O 1.2 -1.5 0 O-C-N 121.305 -0.872 . . . . 0.0 110.783 -179.018 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 84.2 mt -58.2 -38.64 77.15 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.887 -1.133 . . . . 0.0 110.296 -177.58 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -54.62 -45.36 73.67 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.962 -1.086 . . . . 0.0 108.287 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 33.6 p -70.0 -36.38 75.1 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.487 -0.758 . . . . 0.0 110.052 179.246 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.419 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -51.46 -51.78 52.03 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.334 -0.854 . . . . 0.0 109.872 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ttt -60.04 -36.16 76.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.45 -39.94 94.78 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.211 -0.931 . . . . 0.0 110.464 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 15.0 p -68.25 -46.74 69.64 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.83 0.824 . . . . 0.0 110.553 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -45.31 93.23 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mt -80.7 -36.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.754 -1.216 . . . . 0.0 112.274 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -59.98 -40.22 88.35 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.197 -1.564 . . . . 0.0 109.911 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -80.62 -34.69 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.357 -0.839 . . . . 0.0 110.682 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.347 -0.846 . . . . 0.0 112.446 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -82.56 -21.07 35.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.514 -0.742 . . . . 0.0 111.675 -177.317 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.86 -59.96 2.71 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.569 -1.332 . . . . 0.0 110.47 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.484 ' HE2' ' CG ' ' A' ' 35' ' ' ASP . 46.9 t-80 -71.66 -36.36 70.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.728 -1.232 . . . . 0.0 111.138 -178.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -57.53 -20.03 28.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.955 -1.091 . . . . 0.0 111.328 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.74 19.94 12.16 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -72.02 -46.9 55.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -145.84 51.35 1.17 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.683 -0.636 . . . . 0.0 109.666 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.97 4.44 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.645 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 25' ' ' LYS . 86.7 m-20 -91.54 162.55 14.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.66 -0.906 . . . . 0.0 109.31 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 24' ' ' ASP . 33.3 mtmm -22.39 -90.44 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.456 0 C-N-CA 122.138 0.175 . . . . 0.0 111.316 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -130.48 80.84 1.97 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.04 -1.037 . . . . 0.0 110.234 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.4 145.65 27.07 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -97.01 152.11 19.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.77 -1.206 . . . . 0.0 110.104 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.435 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 23.4 t -129.21 164.07 24.23 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -49.44 -42.3 42.48 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.489 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -71.59 -31.5 67.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.838 -1.164 . . . . 0.0 111.968 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.435 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.7 mt-10 -74.32 -37.26 63.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.262 -1.524 . . . . 0.0 108.269 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.09 -51.57 69.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.864 -0.522 . . . . 0.0 112.088 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.814 -1.179 . . . . 0.0 112.52 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.484 ' CG ' ' HE2' ' A' ' 18' ' ' HIS . 11.3 t0 -71.08 -32.13 68.71 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.944 -1.097 . . . . 0.0 109.895 -179.619 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.1 tp -64.61 -40.06 94.83 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.606 -0.684 . . . . 0.0 112.751 -177.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.89 -33.75 21.15 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.316 -1.49 . . . . 0.0 113.215 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.98 -19.63 63.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.627 -1.295 . . . . 0.0 109.782 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -77.77 -67.25 0.74 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.613 -0.679 . . . . 0.0 112.119 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.466 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 26.4 mp0 -86.89 -48.25 8.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.367 -1.458 . . . . 0.0 111.144 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.87 66.89 5.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.17 . . . . 0.0 108.253 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.0 m -79.9 -23.55 41.75 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.119 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -108.15 4.06 24.46 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.053 -1.029 . . . . 0.0 111.675 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -119.94 -80.7 0.62 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.043 -1.035 . . . . 0.0 108.91 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.506 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 mm? -70.89 137.45 49.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.53 151.77 34.25 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 32.9 m -155.24 -34.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.75 -17.96 24.61 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.927 -1.108 . . . . 0.0 110.466 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -68.24 -39.98 82.14 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.245 -0.91 . . . . 0.0 108.924 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -129.96 116.8 19.12 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.341 0.591 . . . . 0.0 109.909 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.26 -30.79 71.69 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.43 -39.99 89.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.489 -0.757 . . . . 0.0 109.002 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.237 -0.914 . . . . 0.0 110.655 179.565 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 27.2 t -69.98 -56.44 11.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 112.594 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.15 -40.1 95.43 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.592 -1.317 . . . . 0.0 111.54 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -72.37 -39.91 67.68 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 111.267 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.517 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.5 mt -74.75 -53.67 16.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.05 -1.031 . . . . 0.0 109.867 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.9 tmt? -60.49 -46.09 91.39 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.166 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.37 -38.27 81.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 0.0 109.811 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -89.01 -17.04 30.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 0.0 109.832 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.529 ' C ' ' H ' ' A' ' 63' ' ' GLU . 56.8 tp -82.23 -13.61 56.81 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.7 m-20 -96.78 34.19 1.73 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 175.543 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.529 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.6 pt-20 -36.08 -20.66 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 111.984 -2.371 . . . . 0.0 111.275 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 62' ' ' ASP . 83.5 m-20 -84.35 0.68 48.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.568 -1.332 . . . . 0.0 107.909 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 74.44 29.54 61.73 Favored Glycine 0 N--CA 1.478 1.475 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.669 ' C ' ' H ' ' A' ' 68' ' ' GLU . 19.9 p-10 -109.2 110.95 22.29 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.2 12.81 0.04 OUTLIER Glycine 0 N--CA 1.493 2.447 0 O-C-N 119.504 -1.997 . . . . 0.0 111.018 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.669 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.7 mt-10 -120.01 139.61 52.23 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.16 127.96 53.88 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 CA-C-O 122.156 0.979 . . . . 0.0 110.533 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.2 159.31 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.9 p90 -59.96 -36.33 76.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.127 -0.983 . . . . 0.0 110.135 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.3 tt0 -62.33 -40.14 95.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.771 -1.206 . . . . 0.0 110.484 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.12 -42.14 73.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.872 -1.143 . . . . 0.0 111.201 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.414 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 43.7 t80 -64.5 -50.11 68.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.28 -0.888 . . . . 0.0 111.989 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.32 -35.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.877 -0.514 . . . . 0.0 111.77 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.07 -58.98 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.051 -1.031 . . . . 0.0 111.577 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.74 -43.63 92.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.043 -1.036 . . . . 0.0 113.236 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.414 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 32.6 m -61.45 -35.33 65.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.967 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.14 -27.44 57.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.141 -0.975 . . . . 0.0 109.627 -179.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.53 -30.29 70.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.002 -1.061 . . . . 0.0 109.445 179.472 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.69 -24.07 19.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.148 -0.97 . . . . 0.0 109.877 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -65.23 -53.44 44.45 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.76 -179.059 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 82' ' ' THR . 3.6 m -82.3 -37.49 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.734 -1.229 . . . . 0.0 111.05 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.93 -40.05 91.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.959 -1.088 . . . . 0.0 110.71 -178.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.2 t -71.42 -39.02 71.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.258 -0.902 . . . . 0.0 110.119 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -60.01 -46.16 90.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.82 . . . . 0.0 110.7 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -80.0 -24.03 41.13 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.107 -0.995 . . . . 0.0 110.9 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.99 -49.11 78.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.961 -1.087 . . . . 0.0 111.029 -177.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.56 3.24 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.406 -1.434 . . . . 0.0 111.786 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -59.98 -41.16 91.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.629 -1.294 . . . . 0.0 109.854 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -84.78 -20.34 31.17 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.225 -0.922 . . . . 0.0 109.73 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -102.23 16.82 25.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.243 -0.91 . . . . 0.0 109.861 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 N--CA 1.489 1.496 0 O-C-N 120.818 -1.176 . . . . 0.0 109.796 -179.493 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.837 0 N-CA-C 119.774 2.669 . . . . 0.0 119.774 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -108.23 4.91 25.22 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.409 -1.054 . . . . 0.0 108.644 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.463 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.9 mt-10 -59.95 -56.86 16.48 Favored 'General case' 0 C--O 1.201 -1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 110.705 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 84.6 mt -58.32 -38.7 77.64 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.82 -1.175 . . . . 0.0 110.318 -177.491 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.41 -45.42 72.94 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.986 -1.071 . . . . 0.0 108.329 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 32.2 p -70.08 -35.24 74.06 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.456 -0.777 . . . . 0.0 110.022 179.162 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -50.87 63.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.717 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.7 ttt -59.93 -36.17 76.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 0.0 109.662 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.47 -40.04 94.95 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.203 -0.936 . . . . 0.0 110.321 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.0 p -68.29 -46.47 70.25 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.15 -45.2 93.88 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.7 -36.54 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.683 -1.261 . . . . 0.0 112.091 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.01 -40.18 88.4 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.225 -1.547 . . . . 0.0 109.875 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 9.0 p -80.59 -34.39 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.333 -0.854 . . . . 0.0 110.739 -179.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.06 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.424 -0.798 . . . . 0.0 112.399 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -82.7 -20.85 35.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.503 -0.748 . . . . 0.0 111.769 -177.305 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.539 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.12 -59.89 2.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.613 -1.305 . . . . 0.0 110.4 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.473 ' HE2' ' CG ' ' B' ' 35' ' ' ASP . 48.3 t-80 -71.81 -36.39 70.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.756 -1.215 . . . . 0.0 111.059 -178.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -57.26 -19.9 24.45 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.966 -1.084 . . . . 0.0 111.387 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.83 19.55 12.22 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 1.5 tppp? -71.56 -47.0 57.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.839 -1.389 . . . . 0.0 108.864 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -145.86 51.37 1.17 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.743 -0.598 . . . . 0.0 109.731 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.54 4.36 Favored Glycine 0 N--CA 1.497 2.702 0 C-N-CA 119.682 -1.247 . . . . 0.0 110.639 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' B' ' 25' ' ' LYS . 86.8 m-20 -91.8 162.83 14.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.786 -0.832 . . . . 0.0 109.297 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' B' ' 24' ' ' ASP . 33.2 mtmm -22.83 -90.2 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.432 0 O-C-N 122.38 -0.2 . . . . 0.0 111.332 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -130.59 81.04 1.98 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.092 -1.005 . . . . 0.0 110.206 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.46 145.88 27.14 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.35 151.93 19.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.879 -1.138 . . . . 0.0 110.103 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 26.7 t -129.2 163.64 25.14 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.08 -42.02 37.36 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 118.59 -1.244 . . . . 0.0 110.557 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.7 -30.25 64.07 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.721 -1.237 . . . . 0.0 111.789 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.421 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.4 mt-10 -74.84 -37.13 62.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.191 -1.568 . . . . 0.0 108.24 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.06 -51.86 67.83 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.317 0.58 . . . . 0.0 112.037 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.699 -1.251 . . . . 0.0 112.468 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.473 ' CG ' ' HE2' ' B' ' 18' ' ' HIS . 11.4 t0 -71.15 -31.96 68.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.974 -1.079 . . . . 0.0 109.864 -179.591 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.463 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 tp -64.74 -40.06 94.68 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.75 -33.82 21.35 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.244 -1.535 . . . . 0.0 113.264 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.96 -19.78 63.35 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.677 -1.264 . . . . 0.0 109.859 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -77.53 -67.28 0.74 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.761 -0.587 . . . . 0.0 112.152 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.463 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 25.9 mp0 -87.11 -47.98 8.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.367 -1.458 . . . . 0.0 111.23 -177.541 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.9 66.83 5.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.765 -1.209 . . . . 0.0 108.205 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -80.01 -23.32 41.6 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.208 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -108.49 4.48 24.26 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.01 -1.056 . . . . 0.0 111.512 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.02 -80.71 0.62 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.027 -1.045 . . . . 0.0 108.776 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.524 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.3 mm? -71.03 137.61 49.15 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.237 -0.985 . . . . 0.0 108.407 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.57 151.69 34.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 31.4 m -155.11 -34.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.52 -18.08 24.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 110.487 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -68.2 -40.0 82.3 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.189 -0.945 . . . . 0.0 109.067 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -130.04 116.46 18.58 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.286 0.565 . . . . 0.0 109.802 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.69 70.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.2 -40.0 92.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.63 -37.36 81.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.376 -0.827 . . . . 0.0 111.172 179.757 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 35.4 t -72.16 -56.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 112.589 -178.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.31 -39.97 94.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.767 -1.208 . . . . 0.0 111.567 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -72.46 -40.03 67.3 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.097 -1.002 . . . . 0.0 111.266 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.512 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -74.7 -53.45 16.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.968 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.46 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.9 tmt? -60.5 -46.0 91.74 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.188 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.69 -37.96 79.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.924 -1.11 . . . . 0.0 109.885 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.19 -17.07 29.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.093 -1.004 . . . . 0.0 109.837 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.542 ' C ' ' H ' ' B' ' 63' ' ' GLU . 56.4 tp -82.18 -13.47 57.1 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' B' ' 65' ' ' GLY . 5.6 m-20 -96.91 34.33 1.73 Allowed 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.542 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.6 pt-20 -36.16 -20.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 111.862 -2.426 . . . . 0.0 111.289 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 62' ' ' ASP . 83.7 m-20 -84.33 0.71 48.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.599 -1.313 . . . . 0.0 107.987 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 74.39 29.28 62.23 Favored Glycine 0 C--N 1.299 -1.527 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.662 ' C ' ' H ' ' B' ' 68' ' ' GLU . 20.0 p-10 -108.77 110.98 22.49 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.13 12.71 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 O-C-N 119.493 -2.004 . . . . 0.0 111.002 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.662 ' H ' ' C ' ' B' ' 66' ' ' ASP . 95.6 mt-10 -119.95 140.03 51.55 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.95 127.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 CA-C-O 122.132 0.968 . . . . 0.0 110.624 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.08 159.43 29.83 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 47.9 p90 -59.97 -36.4 77.07 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.542 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.4 tt0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.784 -1.198 . . . . 0.0 110.472 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.11 -42.13 73.06 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.841 -1.162 . . . . 0.0 111.335 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.413 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 45.1 t80 -64.57 -50.16 68.35 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.356 -0.84 . . . . 0.0 112.044 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.1 -36.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.863 -0.523 . . . . 0.0 111.704 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.96 -59.0 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.031 -1.043 . . . . 0.0 111.531 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.57 -43.54 93.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 113.159 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.413 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 30.1 m -62.16 -34.45 63.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 O-C-N 120.707 -1.246 . . . . 0.0 110.988 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -76.4 -27.52 56.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.024 . . . . 0.0 109.602 -179.789 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.02 -23.69 67.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.893 -1.129 . . . . 0.0 109.988 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -96.39 -24.42 16.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -65.23 -53.27 46.99 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.886 -179.02 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' B' ' 82' ' ' THR . 4.1 m -82.63 -37.61 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.838 -1.164 . . . . 0.0 110.977 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -65.91 -39.82 90.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.987 -1.071 . . . . 0.0 110.717 -178.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.1 t -71.41 -39.17 71.29 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.177 -0.952 . . . . 0.0 110.227 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -60.0 -46.0 90.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.424 -0.798 . . . . 0.0 110.787 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -79.95 -24.06 41.25 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.128 -0.983 . . . . 0.0 110.93 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.89 -49.2 78.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.004 -1.06 . . . . 0.0 111.067 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.64 3.29 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.42 -1.425 . . . . 0.0 111.85 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -60.09 -41.1 91.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.682 -1.261 . . . . 0.0 109.85 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -84.7 -20.46 31.14 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.176 -0.953 . . . . 0.0 109.747 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -102.08 16.72 25.19 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.191 -0.943 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.49 1.548 0 O-C-N 120.92 -1.112 . . . . 0.0 109.773 -179.455 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.593 ' C ' ' H ' ' C' ' 3' ' ' ALA . 37.4 mmtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt 60.14 -28.72 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.979 -0.451 . . . . 0.0 111.377 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . 0.593 ' H ' ' C ' ' C' ' 1' ' ' LYS . . . -68.26 -42.62 79.35 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.596 -1.315 . . . . 0.0 109.833 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.41 -39.98 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.205 -0.935 . . . . 0.0 109.077 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -37.91 81.59 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.529 -0.732 . . . . 0.0 109.951 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.0 -45.95 91.06 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.717 -1.24 . . . . 0.0 108.695 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -42.19 94.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.797 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.09 -53.11 27.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.426 -0.796 . . . . 0.0 111.245 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.85 -40.01 76.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.972 -1.08 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 63.4 m -60.09 -46.5 89.37 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.817 -1.177 . . . . 0.0 110.193 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -69.53 -40.06 77.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.11 -0.994 . . . . 0.0 109.106 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.313 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.593 ' C ' ' H ' ' D' ' 3' ' ' ALA . 39.6 mmtm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 60.06 -28.43 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.97 -0.456 . . . . 0.0 111.445 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . 0.593 ' H ' ' C ' ' D' ' 1' ' ' LYS . . . -68.51 -42.67 78.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.659 -1.275 . . . . 0.0 109.813 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.45 -39.99 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.306 -0.871 . . . . 0.0 108.809 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -38.03 81.8 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.428 -0.795 . . . . 0.0 109.962 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -59.75 -46.0 90.49 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.714 -1.241 . . . . 0.0 108.74 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -64.9 -42.28 94.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.145 -0.972 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -68.28 -52.8 29.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.374 -0.829 . . . . 0.0 111.274 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -69.89 -40.07 75.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.826 -1.171 . . . . 0.0 110.454 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m -60.06 -46.51 89.32 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.841 -1.162 . . . . 0.0 110.248 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -69.68 -39.88 76.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.036 -1.04 . . . . 0.0 109.079 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.343 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.591 2.596 . . . . 0.0 119.591 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -107.45 -79.25 0.58 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.382 -1.069 . . . . 0.0 108.668 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' OG1' ' A' ' 6' ' ' THR . 95.9 mt-10 -64.3 -51.02 65.53 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.643 0.735 . . . . 0.0 110.041 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 25.5 tp -60.16 -38.28 82.69 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.725 -177.355 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 88.9 tt0 -56.78 -46.42 81.53 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 122.223 1.011 . . . . 0.0 108.828 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 37.2 p -67.41 -35.05 78.5 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.62 -0.675 . . . . 0.0 110.457 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -52.29 -54.93 25.18 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.942 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.7 ppp? -59.87 -33.51 71.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.322 -1.486 . . . . 0.0 109.138 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.27 -35.12 80.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.803 . . . . 0.0 110.28 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 21.1 p -73.67 -47.36 40.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 111.131 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 70.7 mt -57.71 -41.23 81.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 111.069 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.11 -26.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.106 -0.996 . . . . 0.0 111.48 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.99 -40.04 94.28 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.35 -1.469 . . . . 0.0 109.28 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 m -79.8 -34.21 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.875 -0.516 . . . . 0.0 110.939 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.476 ' O ' ' OG ' ' A' ' 19' ' ' SER . 16.3 m-30 -60.06 -49.82 76.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.112 -0.992 . . . . 0.0 111.057 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . 0.506 ' C ' ' HD1' ' A' ' 16' ' ' HIS . 1.5 p80 -81.03 -20.11 42.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 112.093 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -74.04 -60.26 2.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.398 -1.439 . . . . 0.0 111.966 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 2.0 p-80 -74.97 -38.86 61.57 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.152 -1.593 . . . . 0.0 110.676 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.495 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 7.3 m -61.13 -12.64 13.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 0.0 110.208 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.58 15.63 62.9 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -93.14 -71.11 0.67 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.064 -1.257 . . . . 0.0 108.531 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -114.29 83.42 1.87 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 121.338 0.59 . . . . 0.0 109.638 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.44 -154.79 23.75 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -91.83 163.23 14.12 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.242 -1.152 . . . . 0.0 108.865 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -48.69 -27.56 2.97 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.291 -0.881 . . . . 0.0 110.627 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 17.4 p90 -156.05 59.75 0.59 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.456 -1.402 . . . . 0.0 111.938 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -141.0 142.28 34.27 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 5.3 tp -98.92 150.92 21.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.788 -1.195 . . . . 0.0 110.149 -177.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 67.5 m -130.92 165.09 23.86 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.14 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -53.22 -44.46 68.08 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.149 -0.97 . . . . 0.0 111.574 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.68 -27.29 62.94 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.621 -1.299 . . . . 0.0 110.834 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 99.1 mt-10 -75.83 -40.05 55.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.456 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 1.9 tt -60.03 -45.85 91.45 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.495 0.664 . . . . 0.0 111.33 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 80.1 tttt -63.1 -40.0 96.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.406 -0.809 . . . . 0.0 112.301 -177.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -75.74 -27.45 58.12 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.673 -1.267 . . . . 0.0 109.893 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 48.5 tp -68.11 -39.87 82.7 Favored 'General case' 0 C--N 1.291 -1.963 0 O-C-N 121.149 -0.969 . . . . 0.0 111.852 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 26.1 mt -83.53 -37.28 23.24 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.624 -1.297 . . . . 0.0 112.467 -177.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.1 pp0? -69.81 -33.22 72.05 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.78 -1.2 . . . . 0.0 109.832 -178.487 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.497 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 53.4 m -86.35 -65.07 1.05 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.058 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 57.2 mp0 -69.66 -55.4 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.263 -0.898 . . . . 0.0 111.875 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -96.07 48.84 1.12 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 122.598 1.19 . . . . 0.0 108.105 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.3 p -65.77 -17.96 65.0 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.209 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.4 p -89.2 -8.47 53.51 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.795 -1.191 . . . . 0.0 113.382 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.85 -59.81 0.5 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.363 -1.461 . . . . 0.0 111.129 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' N ' ' CD1' ' A' ' 45' ' ' LEU . 2.6 mp -71.38 134.76 46.9 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.801 -1.187 . . . . 0.0 108.885 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -122.24 156.03 34.63 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 27.3 m -158.37 -35.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 13.1 pt20 -73.58 -45.57 52.44 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.97 -177.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -70.06 -34.58 73.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.658 -1.276 . . . . 0.0 109.85 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -108.83 97.78 7.37 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.494 -0.754 . . . . 0.0 110.233 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.29 70.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.925 . . . . 0.0 108.999 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.5 -40.07 90.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.051 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.09 93.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.622 -0.674 . . . . 0.0 110.852 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 46.9 t -67.47 -52.86 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 112.011 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -60.27 -39.71 87.81 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.761 -1.212 . . . . 0.0 110.236 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -69.25 -38.95 78.69 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.137 -0.977 . . . . 0.0 112.367 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -82.09 -51.64 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.167 -1.583 . . . . 0.0 109.929 -179.44 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.495 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 7.0 tpt -60.04 -49.74 76.47 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.194 -0.941 . . . . 0.0 112.071 -177.644 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -70.8 -36.39 72.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.544 -1.348 . . . . 0.0 109.932 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.61 -15.92 35.96 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.502 -0.749 . . . . 0.0 110.007 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.577 ' C ' ' H ' ' A' ' 63' ' ' GLU . 62.4 tp -83.45 -14.12 53.22 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' A' ' 65' ' ' GLY . 14.9 m-20 -92.59 41.94 1.09 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 174.479 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.577 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.0 tp10 -42.2 -23.16 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.194 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -86.14 -11.12 53.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.725 -1.234 . . . . 0.0 108.153 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 90.13 32.22 9.98 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.659 ' C ' ' H ' ' A' ' 68' ' ' GLU . 17.4 p-10 -110.46 113.76 26.65 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.69 9.54 0.06 OUTLIER Glycine 0 N--CA 1.494 2.546 0 O-C-N 119.438 -2.039 . . . . 0.0 110.599 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.659 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.6 mt-10 -118.28 138.23 52.51 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.53 130.07 61.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 72' ' ' GLN . 66.1 t0 -87.77 126.41 34.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.939 -1.1 . . . . 0.0 109.107 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' ASP . 45.6 m-85 -23.59 -38.5 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -60.74 -41.38 95.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.364 -1.46 . . . . 0.0 110.094 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.6 mt-10 -70.98 -43.15 68.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.813 -1.179 . . . . 0.0 110.82 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.437 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 17.4 t80 -61.03 -50.4 73.47 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 76' ' ' VAL . 10.0 p -59.97 -40.03 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-O 121.086 0.47 . . . . 0.0 111.615 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.412 ' N ' ' CG1' ' A' ' 75' ' ' VAL . 26.4 t -61.44 -59.46 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 111.421 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.6 -50.74 62.05 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.573 -1.33 . . . . 0.0 112.665 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.438 ' CG2' ' N ' ' A' ' 79' ' ' ALA . 16.6 m -59.98 -39.16 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 112.452 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.438 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -70.36 -25.96 63.51 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.304 -0.873 . . . . 0.0 110.193 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.03 94.53 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.02 -37.25 87.0 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.865 -0.522 . . . . 0.0 110.113 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -52.64 64.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.971 -1.08 . . . . 0.0 110.738 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -68.07 -39.36 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.222 -0.924 . . . . 0.0 110.651 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-O 121.454 0.645 . . . . 0.0 110.462 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.2 m -60.06 -40.03 88.07 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.12 -39.94 87.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 110.552 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.36 -40.79 92.02 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.785 -1.197 . . . . 0.0 110.847 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -80.02 -17.15 53.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.965 -1.084 . . . . 0.0 109.37 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -60.04 -44.74 94.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.205 -0.934 . . . . 0.0 109.326 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.82 -41.93 96.7 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.31 -0.868 . . . . 0.0 109.593 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.68 -19.89 66.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.395 -0.816 . . . . 0.0 109.247 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -95.04 20.2 9.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.294 -0.879 . . . . 0.0 108.775 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 C--N 1.302 -1.492 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.734 -179.749 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.431 ' O ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.957 0 N-CA-C 119.753 2.661 . . . . 0.0 119.753 . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -107.48 -79.58 0.57 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.412 -1.052 . . . . 0.0 108.78 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.474 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.5 mt-10 -64.3 -51.07 65.3 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.555 0.693 . . . . 0.0 110.126 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 25.6 tp -60.08 -38.37 82.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.684 -0.635 . . . . 0.0 109.85 -177.452 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 88.9 tt0 -56.74 -46.32 81.45 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 122.211 1.005 . . . . 0.0 108.801 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 36.8 p -67.47 -33.87 76.01 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.638 -0.663 . . . . 0.0 110.517 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.479 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -53.94 -53.76 48.33 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.339 -0.851 . . . . 0.0 110.776 -175.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.6 ppp? -60.07 -33.73 72.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.601 -1.312 . . . . 0.0 109.006 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.03 -35.4 81.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.548 -0.72 . . . . 0.0 110.242 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 21.7 p -73.52 -47.19 42.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 111.161 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 68.5 mt -58.32 -40.38 81.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.343 -0.848 . . . . 0.0 111.117 -178.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.409 HG22 HD12 ' B' ' 12' ' ' ILE . 42.5 mt -78.91 -28.64 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.078 -1.014 . . . . 0.0 111.134 -177.351 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.3 -39.96 88.79 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.586 -1.321 . . . . 0.0 109.496 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.8 m -80.27 -34.01 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.871 -0.518 . . . . 0.0 111.029 -179.62 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 16.0 m-30 -60.0 -49.87 75.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.104 -0.997 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.498 ' C ' ' HD1' ' B' ' 16' ' ' HIS . 1.6 p80 -80.89 -20.35 42.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.956 -1.09 . . . . 0.0 112.131 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . 0.474 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -73.77 -60.25 2.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.441 -1.412 . . . . 0.0 112.053 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.531 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 2.0 p-80 -75.04 -38.6 61.38 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.139 -1.601 . . . . 0.0 110.781 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 8.2 m -61.39 -12.8 15.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.168 -0.958 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.45 15.73 62.63 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -93.24 -71.25 0.66 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.113 -1.228 . . . . 0.0 108.509 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.4 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 28.8 mt-10 -114.0 83.81 1.93 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.808 -0.558 . . . . 0.0 109.66 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.81 -155.14 24.82 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -91.72 163.04 14.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.302 -1.116 . . . . 0.0 108.969 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -48.36 -27.28 2.48 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.711 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.555 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 16.9 p90 -156.38 59.66 0.56 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.341 -1.475 . . . . 0.0 111.976 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -140.91 142.46 34.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.502 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 5.4 tp -99.02 151.14 21.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.81 -1.182 . . . . 0.0 110.158 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 69.6 m -131.94 163.36 28.53 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.638 -0.664 . . . . 0.0 109.435 -178.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -51.61 -44.58 62.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.055 -1.028 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.31 -26.73 62.06 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.464 -1.398 . . . . 0.0 110.705 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.531 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 99.1 mt-10 -75.82 -39.97 55.8 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.453 ' CD2' ' C ' ' B' ' 33' ' ' LEU . 1.7 tt -60.39 -45.17 94.5 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.305 0.574 . . . . 0.0 111.246 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.3 tttt -63.75 -40.01 95.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.465 -0.772 . . . . 0.0 112.25 -177.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.49 -27.67 58.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.75 -1.218 . . . . 0.0 109.928 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.452 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 50.5 tp -67.99 -39.7 83.21 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 121.184 -0.947 . . . . 0.0 111.839 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 27.4 mt -83.63 -37.27 23.08 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.633 -1.292 . . . . 0.0 112.422 -177.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.528 ' NE2' ' HG1' ' B' ' 39' ' ' THR . 1.1 pp0? -69.99 -33.02 71.51 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.687 -1.258 . . . . 0.0 109.774 -178.248 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.528 ' HG1' ' NE2' ' B' ' 38' ' ' GLN . 52.7 m -86.55 -65.38 1.02 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.423 -0.798 . . . . 0.0 112.013 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 57.1 mp0 -69.33 -55.63 9.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.341 -0.849 . . . . 0.0 111.785 -177.329 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mt -95.91 49.03 1.14 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.776 -1.203 . . . . 0.0 108.025 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 77.4 p -65.95 -17.82 64.92 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.233 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 92.8 p -89.35 -8.23 53.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.797 -1.189 . . . . 0.0 113.279 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -141.08 -59.54 0.5 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.317 -1.489 . . . . 0.0 111.185 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.542 ' CD1' ' N ' ' B' ' 45' ' ' LEU . 2.6 mp -71.7 135.38 46.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.694 -1.253 . . . . 0.0 108.781 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.76 156.31 34.72 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 27.5 m -158.87 -34.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.269 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -73.91 -45.02 53.27 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.827 -177.58 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -70.66 -34.81 72.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.658 -1.276 . . . . 0.0 109.686 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -108.57 97.82 7.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.463 -0.773 . . . . 0.0 110.262 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.16 71.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.233 -0.917 . . . . 0.0 108.985 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.64 -40.03 90.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.37 -0.831 . . . . 0.0 108.962 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.38 88.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.693 -0.629 . . . . 0.0 111.245 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 44.3 t -69.15 -52.7 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 111.927 -178.232 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.96 -40.02 87.62 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 120.805 -1.184 . . . . 0.0 110.273 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.11 -39.16 79.11 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.03 -1.044 . . . . 0.0 112.388 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -81.93 -52.11 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 120.184 -1.572 . . . . 0.0 109.775 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 7.2 tpt -59.9 -49.54 77.31 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.087 -1.008 . . . . 0.0 112.033 -177.552 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -70.66 -36.63 73.45 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.482 -1.386 . . . . 0.0 109.901 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.45 -16.03 35.99 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.462 -0.774 . . . . 0.0 110.055 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.57 ' C ' ' H ' ' B' ' 63' ' ' GLU . 63.7 tp -83.23 -14.14 53.86 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' B' ' 65' ' ' GLY . 14.5 m-20 -92.6 41.88 1.09 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.57 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.0 tp10 -42.16 -23.21 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 111.934 -2.394 . . . . 0.0 110.273 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -86.03 -11.25 53.38 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.793 -1.192 . . . . 0.0 108.131 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 90.25 31.61 10.51 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.642 ' C ' ' H ' ' B' ' 68' ' ' GLU . 16.8 p-10 -109.87 114.02 27.23 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.76 9.47 0.06 OUTLIER Glycine 0 N--CA 1.491 2.302 0 O-C-N 119.449 -2.032 . . . . 0.0 110.448 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.642 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.9 mt-10 -117.9 139.16 51.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.68 130.35 61.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' B' ' 72' ' ' GLN . 66.2 t0 -87.69 126.62 35.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.829 -1.169 . . . . 0.0 108.973 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' B' ' 70' ' ' ASP . 44.4 m-85 -23.86 -38.65 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -60.28 -41.86 94.23 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.344 -1.472 . . . . 0.0 110.016 179.572 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 70' ' ' ASP . 98.7 mt-10 -70.84 -43.35 68.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.801 -1.187 . . . . 0.0 110.797 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.44 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 19.6 t80 -60.32 -50.7 72.6 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.421 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 9.8 p -59.97 -39.98 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 CA-C-O 121.033 0.444 . . . . 0.0 111.676 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.421 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 25.1 t -61.53 -59.21 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.029 -1.044 . . . . 0.0 111.395 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.71 -50.76 61.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.655 -1.278 . . . . 0.0 112.691 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 17.6 m -60.08 -39.34 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.141 -0.974 . . . . 0.0 112.428 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.425 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -70.06 -26.13 63.87 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.339 -0.851 . . . . 0.0 110.519 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.53 87.02 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.97 -38.82 83.62 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.325 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -60.16 -52.73 64.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.84 -1.163 . . . . 0.0 110.881 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -39.25 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.14 -0.975 . . . . 0.0 110.761 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.02 88.48 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.471 0.653 . . . . 0.0 110.497 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.291 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.19 -39.94 88.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.451 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.2 -40.95 91.86 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.934 -1.104 . . . . 0.0 110.757 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -79.96 -16.94 54.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.993 -1.067 . . . . 0.0 109.487 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.08 -45.11 94.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.352 -0.843 . . . . 0.0 109.278 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.4 -41.89 94.83 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.288 -0.882 . . . . 0.0 109.709 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.94 -19.78 66.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.359 -0.838 . . . . 0.0 109.182 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -95.14 20.19 9.48 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 C--N 1.301 -1.521 0 CA-C-O 118.047 -0.977 . . . . 0.0 109.707 -179.722 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -60.92 -38.34 85.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.65 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.37 89.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 109.344 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.84 -40.0 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.039 -1.038 . . . . 0.0 108.822 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . 0.45 ' HE1' ' CD1' ' A' ' 77' ' ' LEU . 37.7 m0 -62.48 -34.07 76.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.501 -0.749 . . . . 0.0 110.372 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . 0.44 ' O ' ' OG ' ' C' ' 10' ' ' SER . 56.1 m80 -49.97 -42.48 48.9 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.743 -1.223 . . . . 0.0 108.941 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -60.01 -49.05 79.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.98 -48.66 75.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.727 -0.608 . . . . 0.0 110.614 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 5.8 mt -69.39 -38.81 78.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.884 -1.135 . . . . 0.0 109.545 -178.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' SER . . . . . 0.44 ' OG ' ' O ' ' C' ' 6' ' ' HIS . 19.5 p -59.94 -47.4 85.93 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -69.4 -39.96 77.63 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.126 -0.984 . . . . 0.0 109.761 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.37 179.808 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -61.0 -38.38 85.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.332 -0.855 . . . . 0.0 109.663 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.37 88.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 109.414 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.85 -40.02 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.067 -1.02 . . . . 0.0 108.962 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . 0.468 ' HE1' ' CD1' ' B' ' 77' ' ' LEU . 38.2 m0 -62.45 -34.27 76.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.596 -0.69 . . . . 0.0 110.424 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.432 ' O ' ' OG ' ' D' ' 10' ' ' SER . 56.8 m80 -49.77 -42.68 47.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.735 -1.228 . . . . 0.0 108.938 -179.577 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.0 -48.93 79.7 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.84 -48.86 75.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.634 -0.667 . . . . 0.0 110.631 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 6.0 mt -69.28 -38.84 78.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 109.568 -178.547 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' SER . . . . . 0.432 ' OG ' ' O ' ' D' ' 6' ' ' HIS . 20.5 p -59.93 -47.52 85.46 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.127 -0.983 . . . . 0.0 110.491 -179.263 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -69.19 -39.89 78.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.178 -0.951 . . . . 0.0 109.773 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.378 179.866 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.531 2.572 . . . . 0.0 119.531 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -106.62 -8.79 16.8 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.464 -1.021 . . . . 0.0 109.206 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 52.2 mp0 -59.87 -52.32 65.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.12 -36.64 77.91 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.176 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -56.43 -49.13 75.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.046 -1.034 . . . . 0.0 108.847 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.4 p -64.02 -32.96 74.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.71 -0.619 . . . . 0.0 110.865 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.98 -49.19 76.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.249 -0.907 . . . . 0.0 110.719 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ttt -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.715 -1.24 . . . . 0.0 109.225 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.2 mm-40 -61.09 -39.8 91.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.715 . . . . 0.0 110.314 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 11.4 p -69.2 -45.86 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.658 -0.651 . . . . 0.0 111.355 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.07 -40.89 91.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.311 -0.868 . . . . 0.0 111.215 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mt -81.97 -36.57 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.359 -0.838 . . . . 0.0 112.487 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 16.0 m120 -60.13 -39.92 87.97 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.362 -1.461 . . . . 0.0 109.189 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 p -80.03 -32.75 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.81 -0.556 . . . . 0.0 110.571 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -60.04 -56.25 23.99 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.093 -1.004 . . . . 0.0 111.232 -179.289 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.01 -23.51 63.14 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.818 -0.551 . . . . 0.0 111.1 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.24 -60.28 2.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.77 -1.206 . . . . 0.0 110.834 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' NE2' ' OE2' ' A' ' 40' ' ' GLU . 56.4 m-70 -70.56 -40.08 73.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.403 -1.435 . . . . 0.0 111.521 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.425 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 51.2 m -64.88 -12.04 44.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.993 -1.067 . . . . 0.0 110.256 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.27 12.96 60.25 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -93.63 -74.93 0.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.252 -1.146 . . . . 0.0 108.973 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -106.99 88.06 2.65 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.74 -151.17 20.87 Favored Glycine 0 N--CA 1.492 2.369 0 C-N-CA 119.598 -1.287 . . . . 0.0 110.109 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -97.85 169.98 9.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.413 -1.051 . . . . 0.0 109.094 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -53.01 -39.99 63.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.896 . . . . 0.0 111.586 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CE1' ' CZ ' ' A' ' 71' ' ' PHE . 26.4 t80 -147.91 49.94 1.05 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.192 -1.567 . . . . 0.0 112.363 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 140.44 36.16 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.6 mm? -98.41 152.4 19.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.68 -1.263 . . . . 0.0 110.779 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.43 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.1 p -126.41 161.66 27.36 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -46.57 -44.09 17.72 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.001 -1.062 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -69.95 -29.56 66.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.009 -1.057 . . . . 0.0 111.749 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.43 ' HB2' ' H ' ' A' ' 29' ' ' SER . 47.6 mt-10 -76.59 -35.51 58.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.629 -1.294 . . . . 0.0 107.678 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 47.1 tp -59.95 -49.55 77.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.671 -0.643 . . . . 0.0 110.793 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.26 -35.68 72.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.121 -0.987 . . . . 0.0 110.253 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 48.4 t0 -70.0 -28.8 65.81 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.266 -0.896 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.93 -43.11 84.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.118 -0.989 . . . . 0.0 112.675 -177.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.563 ' H ' ' CD2' ' A' ' 37' ' ' LEU . 0.3 OUTLIER -87.56 -32.01 19.58 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 120.519 -1.363 . . . . 0.0 113.293 -177.839 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.2 pt20 -77.65 -39.98 43.23 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.643 -1.286 . . . . 0.0 111.693 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 27.1 m -85.54 -50.53 7.18 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.302 -0.874 . . . . 0.0 112.375 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' A' ' 18' ' ' HIS . 71.3 mm-40 -87.18 -49.73 7.09 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.17 35.74 0.99 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.726 -1.234 . . . . 0.0 111.394 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 43' ' ' SER . 47.5 t -50.02 132.24 23.12 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.6 t 154.33 -41.89 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 118.89 0.768 . . . . 0.0 110.608 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -164.0 -40.77 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.777 -1.202 . . . . 0.0 110.849 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.462 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 4.0 mm? -56.9 129.51 41.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.534 -1.266 . . . . 0.0 107.716 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -118.09 146.87 43.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.844 -1.16 . . . . 0.0 108.622 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.441 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 4.7 m -152.47 -37.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.441 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 26.8 mt-30 -70.05 -60.26 2.4 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.04 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -70.37 -32.7 70.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.846 -1.159 . . . . 0.0 110.454 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.56 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 12.1 p-10 -88.41 84.28 6.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.457 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.06 94.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.661 -0.649 . . . . 0.0 109.862 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.99 87.74 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 109.09 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.22 91.86 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.419 -0.8 . . . . 0.0 111.453 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.68 -56.25 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.956 -1.09 . . . . 0.0 111.529 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.313 -1.492 . . . . 0.0 111.401 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.04 -39.92 75.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 112.468 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -78.23 -50.04 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.862 -1.149 . . . . 0.0 110.396 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.6 tpt -61.84 -43.43 98.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.436 -0.79 . . . . 0.0 111.524 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.78 -35.22 72.49 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.949 -1.094 . . . . 0.0 110.341 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -93.01 -27.05 17.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 0.0 109.97 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.65 ' C ' ' H ' ' A' ' 63' ' ' GLU . 39.4 tp -71.11 -35.08 71.66 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.574 ' O ' ' N ' ' A' ' 65' ' ' GLY . 18.7 t0 -76.91 57.05 1.27 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 103.617 -2.734 . . . . 0.0 103.617 174.541 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.65 ' H ' ' C ' ' A' ' 61' ' ' LEU . 21.9 pt-20 -50.03 -19.91 0.83 Allowed 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 111.241 -2.709 . . . . 0.0 110.438 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -85.49 2.32 45.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.574 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.37 37.08 86.64 Favored Glycine 0 N--CA 1.497 2.703 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.22 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.456 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 4.0 p-10 -100.89 -10.61 20.5 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.756 -1.438 . . . . 0.0 110.425 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.77 -5.68 73.81 Favored Glycine 0 N--CA 1.499 2.866 0 O-C-N 120.576 -1.328 . . . . 0.0 110.25 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 97.9 mt-10 -119.99 143.99 47.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.15 133.13 47.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 O-C-N 121.107 -0.995 . . . . 0.0 111.211 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.8 t0 -78.73 154.38 30.09 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CZ ' ' CE1' ' A' ' 26' ' ' TYR . 13.0 m-85 -59.6 -39.22 83.49 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.972 -1.08 . . . . 0.0 108.673 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -40.05 87.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.16 -0.963 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -68.21 -40.05 82.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.512 -1.368 . . . . 0.0 110.554 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.4 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 44.2 t80 -64.41 -53.3 50.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.593 -0.692 . . . . 0.0 112.432 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.32 -32.01 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.87 -0.518 . . . . 0.0 111.65 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.03 -58.15 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.145 -0.972 . . . . 0.0 111.749 -178.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.45 ' CD1' ' HE1' ' C' ' 5' ' ' TRP . 8.8 tt -67.39 -43.3 81.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.915 -1.116 . . . . 0.0 112.551 -176.495 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.402 ' CG2' ' N ' ' A' ' 79' ' ' ALA . 29.7 m -64.21 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 120.954 -1.091 . . . . 0.0 111.367 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -78.57 -27.14 45.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.154 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -24.97 65.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.018 -1.051 . . . . 0.0 109.665 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.0 mt -92.31 -38.67 11.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.239 -0.913 . . . . 0.0 109.775 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.5 t -61.6 -47.04 87.25 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.02 -1.05 . . . . 0.0 110.095 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.458 ' N ' ' CG2' ' A' ' 82' ' ' THR . 8.5 p -76.91 -40.71 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 110.563 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.413 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -60.06 -33.25 71.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 109.975 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.4 t -67.55 -39.93 84.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 109.671 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.478 ' ND2' ' OD1' ' A' ' 92' ' ' ASN . 4.1 m120 -61.04 -40.15 92.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.17 -0.957 . . . . 0.0 110.648 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -60.43 -46.95 88.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.073 -1.017 . . . . 0.0 111.074 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -64.07 -40.02 95.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.005 -1.06 . . . . 0.0 110.833 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.11 105.55 15.88 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.13 -0.982 . . . . 0.0 109.224 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -69.94 -29.62 66.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.315 -0.866 . . . . 0.0 110.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -69.63 -21.7 63.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.478 ' OD1' ' ND2' ' A' ' 86' ' ' ASN . 27.3 t-20 -77.1 -1.42 29.03 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.302 -1.489 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.424 -179.792 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.408 ' N ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.844 0 N-CA-C 119.602 2.601 . . . . 0.0 119.602 . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -106.26 -8.82 17.12 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.438 -1.036 . . . . 0.0 109.224 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 51.7 mp0 -60.01 -52.24 66.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.352 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.05 -36.85 78.23 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.536 -0.727 . . . . 0.0 110.238 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.35 -48.91 75.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.038 -1.039 . . . . 0.0 108.954 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.461 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 22.8 p -64.3 -31.74 73.06 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 110.736 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.475 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.35 -48.38 80.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.211 -0.931 . . . . 0.0 110.568 -176.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.045 -1.034 . . . . 0.0 109.119 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.0 mm-40 -61.09 -39.96 91.89 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.595 0.712 . . . . 0.0 110.275 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.475 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 10.8 p -68.94 -45.99 69.38 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.599 -0.688 . . . . 0.0 111.341 -177.767 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.03 -41.12 91.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.387 -0.821 . . . . 0.0 111.318 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mt -81.28 -37.39 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 112.353 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.8 m120 -59.93 -40.08 87.72 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.324 -1.485 . . . . 0.0 109.178 -178.875 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.69 -32.88 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.793 -0.567 . . . . 0.0 110.565 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.457 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -59.88 -56.28 23.66 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.016 -1.053 . . . . 0.0 111.345 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -69.94 -23.34 63.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.818 -0.551 . . . . 0.0 111.174 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 -60.11 2.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.732 -1.23 . . . . 0.0 110.802 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.517 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 55.8 m-70 -70.59 -40.04 73.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.429 -1.419 . . . . 0.0 111.56 -178.308 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.6 m -64.98 -11.87 43.65 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.068 -1.02 . . . . 0.0 110.283 -179.787 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.4 12.55 59.99 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -93.26 -74.9 0.51 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.211 -1.17 . . . . 0.0 109.047 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -107.03 87.94 2.62 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.21 -150.97 20.38 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.582 -1.294 . . . . 0.0 110.18 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -97.98 170.0 9.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.419 -1.048 . . . . 0.0 109.144 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -53.13 -40.07 63.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 111.583 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.609 ' CE1' ' CZ ' ' B' ' 71' ' ' PHE . 26.8 t80 -147.92 49.98 1.05 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.159 -1.588 . . . . 0.0 112.229 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 140.58 36.37 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 105.963 -1.865 . . . . 0.0 105.963 175.346 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.429 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.6 mm? -98.61 152.22 19.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.764 -1.21 . . . . 0.0 110.863 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 78.6 p -126.23 161.31 28.03 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.973 -1.079 . . . . 0.0 110.513 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.03 -28.94 65.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.935 -1.103 . . . . 0.0 111.659 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.421 ' HB2' ' H ' ' B' ' 29' ' ' SER . 47.1 mt-10 -76.85 -35.44 57.49 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 118.339 -1.344 . . . . 0.0 107.666 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' B' ' 37' ' ' LEU . 50.6 tp -59.93 -49.69 76.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.731 -0.606 . . . . 0.0 110.885 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.18 -35.62 71.87 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.024 -1.047 . . . . 0.0 110.182 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 48.6 t0 -70.03 -28.78 65.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 1.1 mm? -66.89 -43.22 83.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.054 -1.029 . . . . 0.0 112.727 -177.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.573 ' CD2' ' H ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -87.69 -30.85 20.07 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.646 -1.284 . . . . 0.0 113.405 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' B' ' 39' ' ' THR . 13.4 pt20 -78.61 -39.94 35.86 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.486 -1.384 . . . . 0.0 111.678 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 30.0 m -85.38 -50.45 7.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.366 -0.834 . . . . 0.0 112.241 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 71.1 mm-40 -87.47 -49.53 7.15 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -175.365 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.37 35.78 1.01 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.708 -1.245 . . . . 0.0 111.295 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 47.6 t -50.0 132.3 23.06 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 176.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.6 t 154.21 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 118.899 0.772 . . . . 0.0 110.561 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -164.21 -40.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.85 -1.156 . . . . 0.0 110.918 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 4.0 mm? -57.19 129.57 42.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.635 -1.291 . . . . 0.0 107.679 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -118.27 146.84 43.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.79 -1.194 . . . . 0.0 108.62 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 4.9 m -152.53 -37.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.46 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 26.8 mt-30 -70.02 -60.27 2.39 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.019 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -70.39 -32.7 70.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.812 -1.18 . . . . 0.0 110.541 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 11.3 p-10 -88.23 83.94 6.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 0.0 109.448 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.96 93.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.632 -0.667 . . . . 0.0 109.897 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.04 -40.0 87.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.256 -0.903 . . . . 0.0 109.026 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.47 83.74 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.425 -0.797 . . . . 0.0 111.955 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -56.06 11.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.78 -1.2 . . . . 0.0 111.446 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.35 -43.69 96.98 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.491 -1.381 . . . . 0.0 111.351 -176.697 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -70.02 -40.06 75.45 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.464 -0.772 . . . . 0.0 112.445 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.588 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.1 mt -78.04 -50.12 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.806 -1.183 . . . . 0.0 110.411 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 7.1 tpt -62.33 -42.97 99.82 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.319 -0.863 . . . . 0.0 111.43 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.91 -34.82 71.91 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.932 -1.105 . . . . 0.0 110.383 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -93.36 -27.14 16.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.15 -0.968 . . . . 0.0 109.912 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.619 ' C ' ' H ' ' B' ' 63' ' ' GLU . 39.7 tp -70.97 -35.14 72.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' B' ' 65' ' ' GLY . 18.2 t0 -76.89 56.98 1.25 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.599 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.619 ' H ' ' C ' ' B' ' 61' ' ' LEU . 21.9 pt-20 -49.93 -20.03 0.83 Allowed 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 111.229 -2.714 . . . . 0.0 110.45 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -85.22 1.8 46.59 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.564 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.69 34.78 83.56 Favored Glycine 0 N--CA 1.498 2.77 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.287 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.1 p-10 -99.33 -10.83 21.82 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.779 -1.424 . . . . 0.0 110.507 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.85 -5.58 74.69 Favored Glycine 0 N--CA 1.497 2.753 0 O-C-N 120.703 -1.248 . . . . 0.0 110.251 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.02 143.43 48.08 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.5 t -101.95 133.16 46.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 O-C-N 121.048 -1.033 . . . . 0.0 111.408 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.3 t0 -78.86 154.27 29.92 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CE1' ' B' ' 26' ' ' TYR . 12.8 m-85 -59.58 -39.15 83.18 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.12 -0.987 . . . . 0.0 108.67 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.21 -40.0 88.59 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.115 -0.991 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -68.32 -39.98 81.8 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.598 -1.314 . . . . 0.0 110.572 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 41.6 t80 -64.35 -53.67 45.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.576 -0.703 . . . . 0.0 112.236 -178.183 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.03 -32.06 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.858 -0.527 . . . . 0.0 111.741 -177.112 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.0 -58.19 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.081 -1.012 . . . . 0.0 111.784 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.468 ' CD1' ' HE1' ' D' ' 5' ' ' TRP . 8.9 tt -67.1 -43.17 83.2 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.994 -1.066 . . . . 0.0 112.558 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.406 ' CG2' ' N ' ' B' ' 79' ' ' ALA . 28.8 m -64.75 -38.16 81.98 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 O-C-N 120.858 -1.152 . . . . 0.0 111.402 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.406 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -78.61 -27.39 45.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.452 -0.78 . . . . 0.0 110.141 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.15 63.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.96 -1.087 . . . . 0.0 110.107 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.15 -39.2 10.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.369 -0.832 . . . . 0.0 109.454 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.5 t -61.47 -46.84 88.34 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.062 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' B' ' 82' ' ' THR . 7.7 p -77.04 -40.92 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.018 -1.051 . . . . 0.0 110.503 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.405 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -59.98 -33.36 71.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.248 -0.908 . . . . 0.0 110.048 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.36 -40.02 85.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.403 -0.81 . . . . 0.0 109.721 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.472 ' ND2' ' OD1' ' B' ' 92' ' ' ASN . 4.0 m120 -60.85 -40.12 91.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 110.656 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.6 -46.88 88.59 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.029 -1.045 . . . . 0.0 111.151 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -64.08 -40.07 95.44 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.053 -1.029 . . . . 0.0 110.856 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.02 105.48 15.81 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.164 -0.96 . . . . 0.0 109.175 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -69.99 -29.3 66.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 0.0 110.454 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -69.9 -21.54 63.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.098 -1.001 . . . . 0.0 109.74 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.472 ' OD1' ' ND2' ' B' ' 86' ' ' ASN . 27.3 t-20 -77.27 -1.02 27.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.252 -0.905 . . . . 0.0 109.425 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.301 -1.513 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.392 -179.751 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 53.3 tttp . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.246 0.546 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -60.02 -42.25 93.95 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.85 -24.35 38.46 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.913 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 81.8 t -61.06 -40.93 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.028 -1.045 . . . . 0.0 109.646 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . 0.472 ' CH2' ' CD1' ' A' ' 77' ' ' LEU . 39.6 m95 -62.12 -45.34 93.9 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.209 -0.932 . . . . 0.0 110.609 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . 0.425 ' O ' ' OG ' ' C' ' 10' ' ' SER . 81.3 t60 -59.91 -46.35 89.64 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -0.965 . . . . 0.0 111.227 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.88 -49.91 75.86 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.61 -1.306 . . . . 0.0 111.262 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 50.7 tp -73.27 -53.54 10.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.981 -1.075 . . . . 0.0 111.627 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 2.6 mp -70.03 -40.02 75.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.993 -1.067 . . . . 0.0 111.774 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' C' ' 6' ' ' HIS . 24.0 p -67.98 -39.98 83.19 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.402 -1.436 . . . . 0.0 109.662 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -67.81 -40.05 83.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.241 -0.912 . . . . 0.0 109.121 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.196 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 52.2 tttp . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.245 0.545 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -59.98 -42.22 93.72 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.09 -24.1 37.98 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.947 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.18 -40.78 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.837 -1.164 . . . . 0.0 109.713 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . 0.424 ' CH2' ' CD1' ' B' ' 77' ' ' LEU . 37.7 m95 -62.23 -45.41 93.48 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.226 -0.921 . . . . 0.0 110.588 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.457 ' O ' ' OG ' ' D' ' 10' ' ' SER . 81.4 t60 -59.94 -46.31 89.81 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.179 -0.951 . . . . 0.0 111.222 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -60.04 -49.6 77.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.611 -1.306 . . . . 0.0 111.265 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 51.5 tp -73.39 -53.56 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.007 -1.058 . . . . 0.0 111.594 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.544 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.7 mp -70.04 -40.0 75.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.946 -1.096 . . . . 0.0 111.781 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' SER . . . . . 0.457 ' OG ' ' O ' ' D' ' 6' ' ' HIS . 23.4 p -67.97 -40.0 83.23 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.33 -1.481 . . . . 0.0 109.579 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -67.94 -40.03 83.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.305 -0.872 . . . . 0.0 109.12 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.29 179.671 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.87 0 N-CA-C 119.669 2.628 . . . . 0.0 119.669 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p -107.63 2.12 23.69 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.556 -0.967 . . . . 0.0 108.684 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.77 -54.86 36.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 110.383 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.6 mt -59.39 -40.06 85.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.374 -0.829 . . . . 0.0 110.585 -178.517 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -42.48 66.4 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.54 -33.84 69.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.646 179.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.42 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.09 -52.8 59.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 109.761 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.403 ' CE ' HD22 ' B' ' 86' ' ' ASN . 27.4 ttt -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.262 -0.899 . . . . 0.0 111.009 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 74.8 mm-40 -62.18 -40.02 94.62 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.966 -1.084 . . . . 0.0 110.547 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.432 ' H ' ' HG1' ' A' ' 10' ' ' THR . 2.3 p -69.92 -44.63 69.23 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.661 0.743 . . . . 0.0 110.479 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 94.6 mt -60.03 -41.91 93.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.85 -0.531 . . . . 0.0 112.131 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mt -82.47 -26.48 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.904 -1.123 . . . . 0.0 111.289 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 -62.48 -40.01 95.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.453 -1.404 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 m -83.57 -35.13 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.788 -0.57 . . . . 0.0 111.275 -179.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.1 m-30 -59.9 -52.62 64.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.883 -1.136 . . . . 0.0 110.73 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -77.27 -24.95 50.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.392 -0.817 . . . . 0.0 111.539 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.28 -60.46 2.22 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.49 -1.381 . . . . 0.0 110.816 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -70.41 -39.69 74.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.833 -1.167 . . . . 0.0 111.436 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 35.0 t -57.08 -18.36 14.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.071 -1.018 . . . . 0.0 110.833 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.99 20.06 9.97 Favored Glycine 0 N--CA 1.504 3.169 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -68.12 -23.43 64.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.066 -1.256 . . . . 0.0 109.712 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -100.02 9.08 43.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.191 -0.943 . . . . 0.0 109.879 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.25 31.84 50.38 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -96.41 44.7 1.06 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.341 -1.094 . . . . 0.0 109.816 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 49.48 -128.0 2.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.885 -1.134 . . . . 0.0 108.79 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 25.6 p90 -128.38 77.92 1.8 Allowed 'General case' 0 N--CA 1.5 2.033 0 CA-C-O 122.46 1.124 . . . . 0.0 109.775 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' A' ' 19' ' ' SER . 48.7 tptt -143.27 142.39 31.35 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 34.0 tp -94.05 148.18 22.42 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.558 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.606 ' HG ' ' N ' ' A' ' 30' ' ' LYS . 28.7 t -131.38 165.59 23.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.521 -0.737 . . . . 0.0 109.414 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.606 ' N ' ' HG ' ' A' ' 29' ' ' SER . 69.5 tttt -57.19 -41.11 78.71 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.726 -179.746 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -74.46 -32.05 62.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.507 -1.371 . . . . 0.0 109.937 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.414 ' HB2' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -75.61 -40.78 55.87 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 2.4 tt -59.99 -45.81 91.5 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.583 0.706 . . . . 0.0 111.364 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -62.56 -44.41 96.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.546 -0.721 . . . . 0.0 112.266 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 56.9 t0 -72.13 -28.77 63.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.358 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.9 tp -62.03 -39.98 94.16 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.548 -0.72 . . . . 0.0 111.513 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.89 -35.26 22.28 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.674 -1.266 . . . . 0.0 113.648 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.487 ' CD ' ' NE2' ' A' ' 48' ' ' GLN . 3.5 pt20 -70.03 -40.05 75.4 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.394 -1.441 . . . . 0.0 110.998 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 69.1 m -78.04 -58.07 3.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.478 -177.185 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.515 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 57.4 mp0 -73.46 -51.24 17.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.295 -0.878 . . . . 0.0 111.089 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -101.8 66.22 1.04 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.081 -1.012 . . . . 0.0 108.712 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.9 t -79.82 -20.85 45.13 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -103.03 -5.22 23.58 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 120.699 -1.251 . . . . 0.0 112.845 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.09 -93.41 0.47 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.629 -1.294 . . . . 0.0 110.073 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.04 130.6 47.53 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.192 -0.943 . . . . 0.0 108.521 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.83 166.88 14.85 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.463 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 7.5 m -154.82 -38.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' NE2' ' CD ' ' A' ' 38' ' ' GLN . 97.9 mt-30 -70.13 -35.98 74.46 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.663 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' NZ ' ' OD2' ' A' ' 50' ' ' ASP . 18.9 pttp -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.533 -1.354 . . . . 0.0 110.724 -177.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 86.5 m-20 -123.67 120.31 32.37 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.397 -0.814 . . . . 0.0 110.18 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.89 -32.25 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 3.3 p30 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.96 -39.95 94.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.283 -0.886 . . . . 0.0 110.836 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.406 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 54.6 t -69.99 -56.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.309 -0.87 . . . . 0.0 112.281 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 65.8 t0 -64.74 -41.51 95.89 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 120.661 -1.274 . . . . 0.0 111.311 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.01 -38.77 76.05 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.905 -1.122 . . . . 0.0 111.639 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 88.7 mt -76.28 -53.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.181 -0.949 . . . . 0.0 110.288 -178.219 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -44.46 96.85 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 112.665 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -70.03 -37.71 75.66 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.642 -1.286 . . . . 0.0 109.895 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -86.94 -15.96 37.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.047 -1.033 . . . . 0.0 108.904 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' A' ' 63' ' ' GLU . 54.0 tp -89.88 -15.61 31.81 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.533 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 10.2 t70 -92.13 51.14 1.75 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 102.695 -3.076 . . . . 0.0 102.695 174.067 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.563 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.2 tt0 -49.42 -26.03 2.98 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 110.472 -3.058 . . . . 0.0 111.032 -177.255 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -82.44 -2.36 52.96 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.492 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.34 32.35 83.89 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.108 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 15.6 p-10 -99.02 -11.91 21.07 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.845 -1.385 . . . . 0.0 109.785 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.518 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.92 -11.63 46.87 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.816 -1.177 . . . . 0.0 110.549 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 96.9 mt-10 -126.91 141.2 51.87 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.453 ' CG1' ' H ' ' A' ' 71' ' ' PHE . 53.3 t -102.27 143.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.605 -0.684 . . . . 0.0 109.962 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 48.7 t0 -90.68 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' A' ' 70' ' ' ASP . 38.3 m-85 101.92 -25.27 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.25 -40.14 74.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.576 -1.327 . . . . 0.0 108.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.0 mt-10 -72.09 -41.52 67.2 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.703 0.763 . . . . 0.0 110.703 -179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.458 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 35.6 t80 -65.74 -51.6 57.92 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.581 -0.7 . . . . 0.0 112.442 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.412 ' CG1' ' N ' ' A' ' 76' ' ' VAL . 7.9 p -60.22 -39.92 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.821 -0.549 . . . . 0.0 112.203 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . 0.412 ' N ' ' CG1' ' A' ' 75' ' ' VAL . 42.5 t -66.18 -59.16 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.33 -0.857 . . . . 0.0 111.849 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.472 ' CD1' ' CH2' ' C' ' 5' ' ' TRP . 5.4 tp -66.51 -42.69 86.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.037 -1.039 . . . . 0.0 113.172 -175.552 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' ' N ' ' A' ' 79' ' ' ALA . 17.4 m -64.24 -39.96 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -0.962 . . . . 0.0 111.663 -177.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.461 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -71.8 -28.94 63.94 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.467 -0.771 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.23 -26.81 66.71 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.466 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 84.9 mt -87.86 -23.01 24.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.235 -0.915 . . . . 0.0 108.787 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -65.82 -53.89 34.1 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.99 -1.084 . . . . 0.0 109.663 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.35 -40.29 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.404 -0.81 . . . . 0.0 110.619 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.459 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.466 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 90.5 m -65.31 -39.99 93.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.339 -0.851 . . . . 0.0 109.574 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.481 HD22 ' CE ' ' B' ' 8' ' ' MET . 98.5 m-20 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.21 -40.61 90.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.27 -0.894 . . . . 0.0 110.614 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 89' ' ' PHE . 53.7 m-85 -74.86 -21.74 59.08 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.004 -1.06 . . . . 0.0 109.596 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 60.9 m-85 54.99 103.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.468 -0.77 . . . . 0.0 109.247 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.99 -33.94 72.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.285 -0.884 . . . . 0.0 108.673 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.01 -38.61 83.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.562 -0.711 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -67.34 -32.45 73.41 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.601 -179.12 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.895 0 N-CA-C 119.457 2.543 . . . . 0.0 119.457 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -107.37 2.02 24.12 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.544 -0.974 . . . . 0.0 108.627 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.61 -54.74 38.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.416 -0.802 . . . . 0.0 110.4 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 83.7 mt -59.83 -39.98 86.96 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.263 -0.898 . . . . 0.0 110.37 -178.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -52.94 -43.06 66.02 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -71.07 -32.63 69.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.461 178.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.438 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -55.79 -51.82 66.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.841 -1.162 . . . . 0.0 109.532 -176.082 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.481 ' CE ' HD22 ' A' ' 86' ' ' ASN . 27.4 ttt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.58 -0.7 . . . . 0.0 110.928 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.505 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.8 mm-40 -62.24 -40.07 94.92 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.917 -1.115 . . . . 0.0 110.446 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 2.8 p -69.96 -44.61 69.16 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.577 0.703 . . . . 0.0 110.407 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.0 mt -60.03 -41.63 92.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.855 -0.528 . . . . 0.0 112.165 -178.02 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.92 -28.92 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.746 -1.221 . . . . 0.0 110.963 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.2 m-20 -60.33 -40.05 89.24 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.66 -1.275 . . . . 0.0 109.904 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.1 m -84.14 -34.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.2 m-30 -59.94 -52.28 66.08 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.011 -1.055 . . . . 0.0 110.709 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -77.56 -24.66 49.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.383 -0.823 . . . . 0.0 111.551 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.59 -60.77 2.07 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.559 -1.338 . . . . 0.0 110.708 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -70.1 -39.78 75.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.746 -1.221 . . . . 0.0 111.412 -178.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 34.8 t -56.88 -18.42 13.08 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.026 -1.046 . . . . 0.0 110.859 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.01 19.79 10.04 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -67.84 -23.34 65.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -1.219 . . . . 0.0 109.839 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -100.06 9.17 43.28 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.179 -0.951 . . . . 0.0 109.812 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.14 32.07 50.05 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -96.57 44.69 1.06 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.428 -1.042 . . . . 0.0 109.915 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 49.35 -127.9 2.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.002 -1.061 . . . . 0.0 108.644 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 24.9 p90 -128.41 78.11 1.82 Allowed 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 122.386 1.089 . . . . 0.0 109.727 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' B' ' 19' ' ' SER . 49.2 tptt -143.34 142.41 31.29 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 33.6 tp -93.99 148.2 22.39 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.532 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 29.2 t -131.93 164.39 26.23 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.576 -0.702 . . . . 0.0 109.47 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -56.1 -41.14 74.76 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.704 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.16 -31.24 60.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.431 -1.418 . . . . 0.0 109.763 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.406 ' HB2' ' H ' ' B' ' 29' ' ' SER . 99.3 mt-10 -75.7 -40.66 55.37 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.455 ' CD2' ' C ' ' B' ' 33' ' ' LEU . 2.4 tt -60.01 -46.2 90.28 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.609 0.719 . . . . 0.0 111.272 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 82.9 tttt -62.01 -44.67 96.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 112.282 -177.262 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.8 t0 -72.18 -28.55 63.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.983 -1.073 . . . . 0.0 109.38 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.457 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.6 tp -62.13 -40.02 94.52 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 111.577 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.74 -35.89 22.15 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.676 -1.265 . . . . 0.0 113.53 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.47 ' CD ' ' NE2' ' B' ' 48' ' ' GLN . 3.5 pt20 -69.54 -39.97 77.16 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.368 -1.458 . . . . 0.0 111.058 -177.107 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 63.4 m -78.06 -58.29 3.34 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.409 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.512 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 57.7 mp0 -73.43 -51.1 18.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 111.126 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mt -101.88 66.27 1.03 Allowed 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.083 -1.01 . . . . 0.0 108.66 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -79.98 -20.52 45.33 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -103.36 -4.65 23.88 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.749 -1.219 . . . . 0.0 112.864 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.47 -93.43 0.47 Allowed 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.803 -1.186 . . . . 0.0 110.012 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.1 130.81 48.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.04 166.83 15.07 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.474 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 6.6 m -154.87 -38.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 97.8 mt-30 -70.07 -36.13 74.72 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.73 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.495 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 18.8 pttp -59.8 -39.95 86.69 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.558 -1.339 . . . . 0.0 110.707 -177.048 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.495 ' OD2' ' NZ ' ' B' ' 49' ' ' LYS . 86.7 m-20 -123.8 120.09 31.63 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.308 -0.87 . . . . 0.0 110.246 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.8 71.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 3.3 p30 -62.22 -34.21 76.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.2 -37.11 84.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.458 -0.776 . . . . 0.0 111.156 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.403 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 56.7 t -72.25 -56.5 9.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 O-C-N 121.193 -0.942 . . . . 0.0 112.201 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.75 -41.49 95.88 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.817 -1.177 . . . . 0.0 111.278 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.05 -38.77 75.89 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.026 -1.046 . . . . 0.0 111.543 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.438 ' O ' ' N ' ' B' ' 61' ' ' LEU . 88.7 mt -76.35 -53.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -45.08 96.17 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.0 -37.64 75.74 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.728 -1.232 . . . . 0.0 109.968 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -86.89 -16.0 37.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 108.908 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' GLU . 55.1 tp -89.91 -15.52 31.92 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.537 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 10.2 t70 -92.16 51.19 1.75 Allowed 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 102.661 -3.089 . . . . 0.0 102.661 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.0 tt0 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 110.393 -3.094 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -82.37 -2.63 53.55 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.511 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.32 32.27 83.65 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.078 177.714 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 16.4 p-10 -98.72 -12.0 21.4 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.79 -1.418 . . . . 0.0 109.678 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.524 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.83 -11.54 46.73 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.406 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.5 mt-10 -126.44 142.47 51.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.452 ' CG1' ' H ' ' B' ' 71' ' ' PHE . 53.8 t -103.06 144.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.432 -0.793 . . . . 0.0 109.848 -178.568 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 48.8 t0 -90.65 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.071 -1.018 . . . . 0.0 109.912 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.537 ' CD2' ' O ' ' B' ' 70' ' ' ASP . 38.0 m-85 101.81 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.18 -40.15 74.82 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.601 -1.312 . . . . 0.0 108.682 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 96.3 mt-10 -72.08 -41.38 67.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.486 -0.759 . . . . 0.0 110.725 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.452 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 36.6 t80 -65.89 -51.84 55.27 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.611 -0.681 . . . . 0.0 112.364 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.402 ' CG1' ' N ' ' B' ' 76' ' ' VAL . 7.9 p -59.96 -40.09 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.888 -0.508 . . . . 0.0 112.137 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . 0.402 ' N ' ' CG1' ' B' ' 75' ' ' VAL . 41.4 t -66.1 -59.33 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.219 -0.925 . . . . 0.0 111.834 -177.616 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.424 ' CD1' ' CH2' ' D' ' 5' ' ' TRP . 5.5 tp -66.23 -42.82 88.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.065 -1.022 . . . . 0.0 113.124 -175.747 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.454 ' CG2' ' N ' ' B' ' 79' ' ' ALA . 17.0 m -64.3 -39.67 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.033 -1.042 . . . . 0.0 111.596 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.454 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -71.96 -29.14 63.96 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.492 -0.755 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -20.96 64.58 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.475 -0.766 . . . . 0.0 108.948 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 89.8 mt -92.72 -22.85 19.15 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.11 -53.48 37.42 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.918 -1.113 . . . . 0.0 109.604 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.1 t -79.69 -40.36 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.251 -0.905 . . . . 0.0 110.705 -179.667 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.46 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 93.8 m -65.26 -39.98 93.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.494 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 98.6 m-20 -60.12 -39.96 88.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -0.88 . . . . 0.0 109.723 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.17 -40.81 91.23 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.142 -0.974 . . . . 0.0 110.664 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' B' ' 89' ' ' PHE . 53.7 m-85 -74.54 -21.73 59.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.062 -1.024 . . . . 0.0 109.493 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.46 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 61.0 m-85 54.87 103.44 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.475 -0.765 . . . . 0.0 109.198 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.01 -34.0 72.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.227 -0.921 . . . . 0.0 108.66 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.02 -38.68 83.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.583 -0.698 . . . . 0.0 109.916 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -67.12 -32.72 74.05 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.632 -179.068 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.407 ' H1 ' ' H ' ' C' ' 2' ' ' LYS . 2.3 mptm? . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.526 0.679 . . . . 0.0 109.185 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.407 ' H ' ' H1 ' ' C' ' 1' ' ' LYS . 14.6 ttmm -67.23 -39.72 86.25 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.154 -0.966 . . . . 0.0 109.64 179.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.88 87.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.468 -0.77 . . . . 0.0 113.04 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 p -59.97 -39.38 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.443 -1.411 . . . . 0.0 110.504 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . 0.43 ' CZ2' ' CD1' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -60.87 -28.88 69.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.088 -1.008 . . . . 0.0 109.981 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . 0.422 ' O ' ' OG ' ' C' ' 10' ' ' SER . 35.6 m170 -60.06 -39.54 86.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.069 -1.02 . . . . 0.0 108.863 -179.825 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -55.45 32.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 110.617 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -70.68 -41.89 71.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.675 -1.265 . . . . 0.0 110.786 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -40.85 96.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.955 . . . . 0.0 109.146 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' C' ' 6' ' ' HIS . 53.9 m -59.91 -40.15 87.82 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.767 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -126.96 55.4 1.56 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.646 -0.659 . . . . 0.0 110.233 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.683 179.285 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.23 -40.1 86.29 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.199 -0.938 . . . . 0.0 109.693 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.08 87.0 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.471 -0.768 . . . . 0.0 113.041 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.95 -39.21 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 120.333 -1.479 . . . . 0.0 110.719 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . 0.49 ' HE1' ' CD2' ' B' ' 81' ' ' LEU . 0.0 OUTLIER -60.75 -28.96 69.1 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.002 -1.061 . . . . 0.0 109.86 -179.303 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.423 ' O ' ' OG ' ' D' ' 10' ' ' SER . 35.3 m170 -59.98 -39.5 85.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.023 -1.048 . . . . 0.0 108.91 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -54.91 39.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 tp -71.21 -42.53 68.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.618 -1.301 . . . . 0.0 110.393 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.49 -41.08 98.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.101 -0.999 . . . . 0.0 109.147 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' SER . . . . . 0.423 ' OG ' ' O ' ' D' ' 6' ' ' HIS . 56.5 m -59.99 -40.04 87.77 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.12 54.93 1.61 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.637 -0.665 . . . . 0.0 110.24 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.74 179.104 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.895 0 N-CA-C 119.87 2.708 . . . . 0.0 119.87 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -104.11 -14.17 15.99 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.563 -0.963 . . . . 0.0 109.417 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.4 mt-10 -70.12 -56.77 6.04 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . 0.462 ' O ' ' N ' ' A' ' 7' ' ' ALA . 5.3 tt -46.85 -34.04 5.02 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.123 -1.611 . . . . 0.0 110.346 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -47.26 -42.78 21.25 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.313 1.054 . . . . 0.0 108.191 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 68.2 p -60.06 -36.15 76.71 Favored 'General case' 0 C--O 1.199 -1.561 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' N ' ' O ' ' A' ' 4' ' ' LEU . . . -50.42 -54.25 23.33 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.501 -0.75 . . . . 0.0 111.472 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.1 -48.12 83.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.558 -1.339 . . . . 0.0 112.171 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.0 -26.86 63.32 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.714 -1.241 . . . . 0.0 114.021 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.497 ' HG1' ' C ' ' B' ' 3' ' ' GLU . 4.3 t -77.82 -49.16 14.85 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.082 -1.636 . . . . 0.0 111.395 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 pp -69.4 -34.35 74.36 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.046 -1.034 . . . . 0.0 111.777 -177.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -76.31 -30.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.419 -1.426 . . . . 0.0 110.632 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -62.48 -40.1 95.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.29 -1.506 . . . . 0.0 109.196 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 19.7 m -76.47 -31.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.617 0.723 . . . . 0.0 109.642 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -59.96 -49.83 76.15 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.817 0.818 . . . . 0.0 110.463 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -78.37 -22.66 47.57 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.762 -0.586 . . . . 0.0 111.277 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.92 2.56 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.559 -1.338 . . . . 0.0 111.189 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.1 m80 -67.96 -40.02 83.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.545 -1.347 . . . . 0.0 110.185 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -64.74 -13.86 56.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 0.0 110.802 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 12.85 60.63 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -92.34 -77.03 0.44 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -109.8 85.65 2.15 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.26 -153.04 22.92 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.47 167.38 11.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -1.152 . . . . 0.0 108.585 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -55.96 -37.79 69.49 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.186 -0.946 . . . . 0.0 111.292 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 40.7 p90 -143.07 47.09 1.53 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.23 -1.544 . . . . 0.0 112.592 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -141.19 140.14 33.96 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.26 157.27 16.04 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.593 -1.317 . . . . 0.0 111.151 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.443 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 96.2 p -125.03 159.91 30.23 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.553 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 79.0 tttt -43.84 -39.59 3.95 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.952 -1.092 . . . . 0.0 111.734 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.34 -25.17 36.61 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.775 -1.203 . . . . 0.0 112.776 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.443 ' HB2' ' H ' ' A' ' 29' ' ' SER . 41.0 mt-10 -77.34 -39.98 45.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.47 -1.394 . . . . 0.0 110.681 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.7 pp -75.19 -36.88 61.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.444 -0.785 . . . . 0.0 110.162 -179.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.94 -40.4 88.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 0.0 110.664 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.89 -25.58 59.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.138 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 14.4 mt -71.08 -38.46 72.43 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.924 -1.11 . . . . 0.0 112.251 -178.87 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 17.3 mt -78.11 -39.99 39.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.69 -1.256 . . . . 0.0 111.269 -177.612 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.501 ' NE2' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -66.42 -37.55 85.46 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.823 -1.173 . . . . 0.0 109.339 -179.529 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.2 m -76.77 -52.83 8.84 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.746 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' OE2' ' CG2' ' A' ' 14' ' ' VAL . 97.3 mt-10 -69.78 -47.29 63.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.702 -0.624 . . . . 0.0 111.953 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.59 68.3 0.66 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.118 -0.989 . . . . 0.0 110.144 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.5 t -76.98 138.72 39.81 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER 78.61 -8.08 1.7 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.503 -0.748 . . . . 0.0 110.716 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -113.66 -85.58 0.59 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.4 136.7 39.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.207 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -118.6 151.2 38.36 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.885 -1.134 . . . . 0.0 108.627 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.457 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 3.2 m -152.61 -38.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 25.5 mt-30 -74.11 -40.27 62.8 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.155 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -64.67 -45.7 85.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.163 -0.961 . . . . 0.0 110.771 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -107.64 110.56 22.46 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.716 0.769 . . . . 0.0 110.751 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.45 69.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 17.2 p-10 -67.8 -23.9 65.24 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.91 -39.94 65.92 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.172 -0.955 . . . . 0.0 110.543 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 12.6 t -69.72 -52.62 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.446 -0.784 . . . . 0.0 111.479 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.553 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.0 m-20 -59.89 -39.89 86.88 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 120.669 -1.269 . . . . 0.0 110.42 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -39.33 75.5 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.054 -1.029 . . . . 0.0 112.101 -177.464 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.548 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -81.54 -52.87 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.219 -1.55 . . . . 0.0 109.842 -179.474 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 tmt? -60.27 -47.92 83.93 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.482 -0.761 . . . . 0.0 112.349 -177.013 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.51 -36.59 79.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.43 -1.419 . . . . 0.0 109.831 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.09 -16.65 32.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.021 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.548 ' N ' ' O ' ' A' ' 57' ' ' ILE . 60.2 tp -86.64 -12.98 46.92 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 65' ' ' GLY . 41.6 t0 -98.59 43.62 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 173.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.548 ' H ' ' C ' ' A' ' 61' ' ' LEU . 48.3 tp10 -37.57 -19.41 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 110.512 -3.04 . . . . 0.0 110.817 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 62' ' ' ASP . 20.5 m120 -85.61 0.12 53.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.615 -1.303 . . . . 0.0 107.943 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.01 38.11 94.99 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 121.179 -0.534 . . . . 0.0 111.839 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.9 p30 -102.13 -9.74 20.26 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.401 . . . . 0.0 110.719 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 83.06 -9.28 60.88 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 120.581 -1.324 . . . . 0.0 110.761 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 65.1 mt-10 -118.91 144.4 46.44 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.0 t -106.97 134.16 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.058 -1.027 . . . . 0.0 111.12 -177.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 14.5 t70 -84.78 160.39 20.26 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 50.6 p90 -60.43 -39.63 88.17 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.024 -1.048 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.48 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.2 tt0 -61.15 -40.01 92.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.504 -1.372 . . . . 0.0 110.473 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.717 -1.24 . . . . 0.0 111.362 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -67.1 -49.6 64.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.011 -1.056 . . . . 0.0 111.396 -178.419 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.604 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 8.4 p -59.91 -37.38 71.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 121.198 -0.939 . . . . 0.0 111.984 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.89 -60.8 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.722 -1.236 . . . . 0.0 111.466 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.43 ' CD1' ' CZ2' ' C' ' 5' ' ' TRP . 3.8 tp -65.65 -48.92 70.53 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.919 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.17 -39.81 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 O-C-N 121.306 -0.872 . . . . 0.0 111.542 -178.37 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.69 -24.5 63.6 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.282 -178.705 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.79 59.37 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.326 -0.859 . . . . 0.0 110.591 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.402 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 50.3 mt -90.93 -47.01 7.84 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.912 -1.117 . . . . 0.0 111.075 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.464 ' HG1' ' CE ' ' B' ' 8' ' ' MET . 6.4 t -60.56 -47.84 84.41 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.103 -0.998 . . . . 0.0 110.186 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.434 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 9.2 p -67.07 -39.93 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.093 -1.004 . . . . 0.0 109.541 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.434 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -65.59 -23.92 66.95 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.682 -0.636 . . . . 0.0 109.864 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.402 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 93.4 m -70.05 -40.05 75.35 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.994 -1.066 . . . . 0.0 109.965 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -62.39 -40.24 95.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 110.371 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.85 -44.27 94.21 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.098 -1.001 . . . . 0.0 110.441 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -71.17 -24.15 62.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.084 -1.01 . . . . 0.0 110.003 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -90.09 6.0 44.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.124 -0.985 . . . . 0.0 109.626 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -59.61 -45.49 91.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.048 -1.033 . . . . 0.0 109.337 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.243 -0.911 . . . . 0.0 108.873 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -88.43 35.91 0.78 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.183 -0.948 . . . . 0.0 109.987 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.028 179.582 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.856 0 N-CA-C 120.177 2.831 . . . . 0.0 120.177 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -104.02 -14.27 16.0 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.24 -1.153 . . . . 0.0 109.439 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.497 ' C ' ' HG1' ' A' ' 10' ' ' THR . 98.5 mt-10 -70.07 -56.53 6.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.084 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . 0.476 ' O ' ' N ' ' B' ' 7' ' ' ALA . 5.7 tt -47.36 -33.81 6.25 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.1 -1.625 . . . . 0.0 110.262 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -47.06 -42.9 19.49 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 122.503 1.144 . . . . 0.0 108.196 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.465 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 66.5 p -60.03 -35.07 74.3 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.476 ' N ' ' O ' ' B' ' 4' ' ' LEU . . . -51.28 -53.69 33.26 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.101 0.953 . . . . 0.0 111.464 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.464 ' CE ' ' HG1' ' A' ' 82' ' ' THR . 1.1 tpt -60.24 -48.82 80.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.879 -1.138 . . . . 0.0 111.958 -177.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.58 -27.26 63.98 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.772 -1.205 . . . . 0.0 114.079 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 4.4 t -77.53 -49.62 14.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 119.935 -1.728 . . . . 0.0 111.172 -177.225 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 1.7 pp -68.74 -34.74 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.049 -1.032 . . . . 0.0 111.858 -177.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.03 -33.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.201 -1.562 . . . . 0.0 110.347 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.02 -40.13 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.601 -1.312 . . . . 0.0 109.031 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . 0.435 ' CG2' ' OE2' ' B' ' 40' ' ' GLU . 16.9 m -76.92 -31.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 CA-C-O 121.739 0.781 . . . . 0.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.2 -49.71 76.53 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.715 0.769 . . . . 0.0 110.434 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -78.54 -22.22 47.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.726 -0.608 . . . . 0.0 111.376 -178.629 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -59.9 2.58 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.673 -1.267 . . . . 0.0 111.217 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 76.9 m80 -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.603 -1.311 . . . . 0.0 110.361 -178.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.2 p -64.92 -13.55 57.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.655 -179.419 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.88 12.35 60.84 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -92.46 -76.97 0.45 Allowed 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -109.37 86.13 2.23 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.35 -152.69 22.59 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -96.33 167.42 11.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -1.14 . . . . 0.0 108.851 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -56.48 -37.93 71.03 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.219 -0.926 . . . . 0.0 111.076 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 39.0 p90 -142.92 47.97 1.52 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.246 -1.534 . . . . 0.0 112.627 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -142.04 140.32 32.58 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.27 157.19 16.09 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.684 -1.26 . . . . 0.0 111.132 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.445 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 88.6 p -125.05 159.76 30.61 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . 0.549 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 78.3 tttt -43.77 -39.75 3.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.907 -1.121 . . . . 0.0 111.74 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -80.48 -25.38 38.84 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.805 -1.185 . . . . 0.0 112.666 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.445 ' HB2' ' H ' ' B' ' 29' ' ' SER . 41.1 mt-10 -77.52 -40.01 44.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.512 -1.367 . . . . 0.0 110.871 -178.816 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.6 pp -75.28 -36.93 61.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.9 -40.23 88.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.065 -1.022 . . . . 0.0 110.752 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.97 -25.29 58.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.814 -1.179 . . . . 0.0 110.286 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 14.3 mt -71.44 -38.12 71.37 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.918 -1.114 . . . . 0.0 112.31 -178.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 15.9 mt -78.26 -41.02 35.33 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.591 -1.318 . . . . 0.0 110.934 -177.688 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.496 ' NE2' ' C ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -64.85 -37.81 88.87 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.992 -1.067 . . . . 0.0 109.273 -179.188 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.92 -52.89 8.62 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.692 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.435 ' OE2' ' CG2' ' B' ' 14' ' ' VAL . 97.2 mt-10 -69.93 -47.02 64.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.689 -0.632 . . . . 0.0 111.992 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mt -111.64 68.02 0.66 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.209 -0.932 . . . . 0.0 110.111 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' B' ' 43' ' ' SER . 44.9 t -76.7 138.39 39.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 78.93 -7.78 1.73 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.429 -0.794 . . . . 0.0 110.809 178.851 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -113.99 -85.91 0.59 Allowed 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -76.06 137.09 39.96 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 106.959 -1.496 . . . . 0.0 106.959 178.16 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -118.7 151.27 38.28 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.001 -1.062 . . . . 0.0 108.612 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.441 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 3.1 m -152.41 -39.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.431 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 26.1 mt-30 -73.94 -40.09 63.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.4 -46.03 85.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.052 -1.03 . . . . 0.0 110.759 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -107.65 110.08 21.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 0.0 110.777 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.13 69.98 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 17.1 p-10 -67.62 -24.4 65.46 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.199 -0.938 . . . . 0.0 108.656 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -39.68 66.87 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.305 -0.872 . . . . 0.0 110.735 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 17.1 t -70.07 -52.75 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.358 -0.839 . . . . 0.0 111.426 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.549 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 98.1 m-20 -59.98 -39.96 87.47 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.833 -1.167 . . . . 0.0 110.378 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -39.66 75.7 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.838 -1.164 . . . . 0.0 112.199 -177.713 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.1 pp -80.61 -53.39 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 120.012 -1.68 . . . . 0.0 109.765 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.467 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 tmt? -60.21 -47.56 85.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.518 -0.739 . . . . 0.0 112.526 -176.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.48 -36.42 78.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.472 -1.393 . . . . 0.0 109.753 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -88.62 -16.6 32.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.061 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.554 ' C ' ' H ' ' B' ' 63' ' ' GLU . 64.3 tp -86.49 -12.86 47.72 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 65' ' ' GLY . 42.0 t0 -98.47 43.72 1.05 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 173.475 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.554 ' H ' ' C ' ' B' ' 61' ' ' LEU . 48.7 tp10 -37.21 -19.85 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 110.478 -3.055 . . . . 0.0 110.839 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' B' ' 62' ' ' ASP . 20.4 m120 -85.43 -0.02 53.62 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.562 -1.336 . . . . 0.0 108.012 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.88 37.78 94.29 Favored Glycine 0 N--CA 1.492 2.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.858 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.9 p30 -101.27 -10.01 20.72 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.858 -1.378 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 83.03 -8.67 62.59 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 120.683 -1.26 . . . . 0.0 110.671 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.578 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 64.4 mt-10 -119.53 144.31 47.11 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.8 t -106.32 133.79 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.019 -1.051 . . . . 0.0 111.396 -177.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.417 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 14.4 t70 -84.06 160.58 20.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 50.7 p90 -60.64 -39.8 89.65 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.937 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.471 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 60.7 tt0 -61.12 -40.03 92.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.528 -1.357 . . . . 0.0 110.304 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.78 -40.03 76.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.738 -1.226 . . . . 0.0 111.381 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -66.84 -50.03 63.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.166 -0.959 . . . . 0.0 111.376 -178.433 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.585 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 8.6 p -60.06 -36.93 70.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.271 -0.893 . . . . 0.0 112.077 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.64 -60.6 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.669 -1.269 . . . . 0.0 111.502 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.417 ' CD1' ' CZ2' ' D' ' 5' ' ' TRP . 4.3 tp -65.47 -48.91 71.03 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.728 -1.232 . . . . 0.0 111.769 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 75.4 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.305 -0.872 . . . . 0.0 111.805 -178.495 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -69.82 -24.29 63.45 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.361 -0.837 . . . . 0.0 109.279 -178.734 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -20.18 59.4 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.0 110.818 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.49 ' CD2' ' HE1' ' D' ' 5' ' ' TRP . 57.3 mt -93.96 -46.72 7.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.806 -1.184 . . . . 0.0 110.55 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 5.7 t -60.6 -47.68 85.11 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 -178.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.435 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 8.5 p -67.59 -39.95 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.213 -0.929 . . . . 0.0 109.309 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.435 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -64.79 -24.5 67.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.685 -0.634 . . . . 0.0 110.012 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.09 -39.92 75.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.082 -1.011 . . . . 0.0 109.861 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -62.47 -40.04 95.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.037 -1.04 . . . . 0.0 110.306 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.13 -44.07 95.19 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.064 -1.022 . . . . 0.0 110.515 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -71.29 -23.79 62.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.232 -0.918 . . . . 0.0 110.095 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -90.62 6.85 42.14 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.184 -0.947 . . . . 0.0 109.623 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.93 -45.66 91.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.148 -0.97 . . . . 0.0 109.172 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -39.93 88.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 108.909 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -88.22 36.02 0.77 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.362 -0.836 . . . . 0.0 109.992 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 118.01 -0.995 . . . . 0.0 108.91 179.496 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -60.06 -49.65 76.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.168 -0.957 . . . . 0.0 109.23 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.06 91.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.289 -0.882 . . . . 0.0 109.1 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.48 -41.67 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -60.07 -49.97 75.54 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.487 -0.758 . . . . 0.0 109.673 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -61.52 -39.91 92.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.047 . . . . 0.0 110.005 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.586 ' HZ2' ' CE ' ' C' ' 11' ' ' LYS . 55.3 tttp -60.11 -50.44 73.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.33 -0.856 . . . . 0.0 111.438 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.09 -50.01 73.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.735 -1.228 . . . . 0.0 111.359 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.1 -39.04 91.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.886 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -59.06 -39.95 83.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.079 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.586 ' CE ' ' HZ2' ' C' ' 7' ' ' LYS . 67.3 mttm -64.43 -40.0 94.91 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.244 -0.91 . . . . 0.0 109.961 179.545 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.896 -1.05 . . . . 0.0 109.406 -179.371 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.427 ' CD ' ' H3 ' ' D' ' 1' ' ' LYS . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -59.97 -49.87 75.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 0.0 109.204 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.55 92.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.904 . . . . 0.0 109.264 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.19 -41.58 92.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -60.09 -50.03 75.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.525 -0.734 . . . . 0.0 109.591 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -61.57 -40.08 93.45 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.118 -0.989 . . . . 0.0 109.908 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.98 -50.65 72.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 0.0 111.557 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.07 -49.95 73.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.835 -1.166 . . . . 0.0 111.409 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.85 -39.18 90.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.128 -0.983 . . . . 0.0 109.801 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -59.0 -39.93 83.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.202 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.38 -40.07 95.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.347 -0.846 . . . . 0.0 109.793 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.862 -1.066 . . . . 0.0 109.389 -179.371 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.916 0 N-CA-C 119.625 2.61 . . . . 0.0 119.625 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t -106.82 -78.27 0.58 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.966 -1.314 . . . . 0.0 109.518 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.519 ' OE2' ' ND2' ' B' ' 13' ' ' ASN . 98.0 mt-10 -59.96 -55.48 33.52 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 110.386 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 97.4 mt -60.03 -38.67 83.4 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.993 -1.067 . . . . 0.0 110.705 -177.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.44 -43.52 68.1 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.723 -1.236 . . . . 0.0 108.519 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.469 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 36.5 p -70.36 -36.84 74.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.354 -0.841 . . . . 0.0 110.353 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -52.09 -56.17 16.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.763 -178.053 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mmm -60.01 -34.2 73.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.981 -1.075 . . . . 0.0 110.105 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.34 -40.02 95.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 110.191 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 19.8 p -69.11 -46.58 67.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.588 0.709 . . . . 0.0 110.916 -178.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 84.5 mt -60.9 -49.83 75.87 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.514 0.673 . . . . 0.0 111.627 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.14 -39.84 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.364 -0.835 . . . . 0.0 112.048 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.523 ' ND2' ' OE2' ' B' ' 3' ' ' GLU . 57.0 t-20 -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.27 -1.519 . . . . 0.0 110.798 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.4 p -81.02 -29.85 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.3 -0.875 . . . . 0.0 110.823 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.5 m-30 -61.41 -55.72 28.31 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.832 -1.167 . . . . 0.0 111.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -75.7 -24.25 56.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.454 -0.779 . . . . 0.0 112.056 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.95 -60.23 2.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.596 -1.315 . . . . 0.0 110.874 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.44 -39.96 81.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.948 -1.095 . . . . 0.0 111.07 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -63.62 -19.82 65.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 112.34 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.76 19.52 33.14 Favored Glycine 0 N--CA 1.503 3.157 0 O-C-N 121.074 -1.016 . . . . 0.0 111.144 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -78.08 -48.83 15.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.678 -1.484 . . . . 0.0 109.402 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -142.68 65.2 1.35 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.431 -0.793 . . . . 0.0 109.528 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.05 -150.15 5.88 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 119.535 -1.317 . . . . 0.0 110.414 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 49.1 t0 -87.93 155.11 20.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.486 -1.008 . . . . 0.0 109.296 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 62.8 mttp -20.97 -83.02 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 122.31 0.244 . . . . 0.0 111.403 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 21.5 p90 -131.08 79.67 1.9 Allowed 'General case' 0 N--CA 1.502 2.144 0 CA-C-O 122.234 1.016 . . . . 0.0 110.132 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 142.67 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -95.47 147.4 23.58 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.688 -1.258 . . . . 0.0 108.327 -179.483 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.465 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 53.7 m -130.83 162.44 29.58 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.462 ' CB ' ' HZ3' ' A' ' 30' ' ' LYS . 3.8 ttmp? -50.33 -46.27 55.45 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.579 -1.248 . . . . 0.0 110.663 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.06 -34.33 74.99 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.855 -1.153 . . . . 0.0 110.996 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.465 ' HB2' ' H ' ' A' ' 29' ' ' SER . 97.7 mt-10 -73.96 -36.8 64.63 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.982 0.896 . . . . 0.0 108.594 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.07 -51.07 71.22 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -70.72 -36.48 73.24 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.93 -1.106 . . . . 0.0 112.575 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -68.26 -35.78 78.41 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 42.9 tp -61.93 -38.69 89.4 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.7 -0.625 . . . . 0.0 111.801 -179.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.4 mt -83.93 -37.55 22.17 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.765 -1.209 . . . . 0.0 112.731 -177.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.8 pp0? -70.06 -33.14 71.55 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.71 -1.244 . . . . 0.0 110.403 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 53.4 m -75.36 -48.56 22.45 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.521 -0.737 . . . . 0.0 111.686 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.469 ' O ' ' N ' ' B' ' 1' ' ' GLY . 58.1 mp0 -97.88 -46.29 5.99 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.101 -0.999 . . . . 0.0 111.97 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -100.85 78.78 1.98 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.783 -1.198 . . . . 0.0 109.221 -179.577 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' SER . 39.3 m -90.74 142.21 27.99 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.3 p 78.44 -3.27 2.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.521 -0.737 . . . . 0.0 111.103 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -104.06 -78.58 0.56 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 HD23 ' H ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -89.11 130.44 35.55 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 177.638 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.439 ' CG ' ' HZ3' ' A' ' 49' ' ' LYS . 84.4 m-20 -121.59 77.19 1.32 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.971 0.891 . . . . 0.0 110.253 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.507 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 4.2 m -78.31 -39.67 24.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 121.827 0.822 . . . . 0.0 110.774 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.507 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 97.7 mt-30 -60.08 -50.07 75.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.49 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -74.43 -37.12 63.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.661 -1.274 . . . . 0.0 110.134 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.8 m-20 -90.18 88.87 7.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.983 -1.073 . . . . 0.0 109.763 -179.445 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.27 92.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.566 -0.709 . . . . 0.0 109.585 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 90.4 m-20 -59.82 -39.38 84.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.336 -0.852 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.63 -40.04 94.77 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.648 -0.658 . . . . 0.0 111.848 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.475 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 22.3 t -68.91 -56.9 10.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 120.849 -1.157 . . . . 0.0 112.19 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.22 -40.97 97.14 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.843 -1.16 . . . . 0.0 111.17 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 36.2 mmtm -69.43 -40.03 77.48 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.536 -0.728 . . . . 0.0 111.91 -177.504 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.9 mt -78.99 -51.98 16.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.485 -0.759 . . . . 0.0 111.479 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.536 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -64.2 -43.36 95.28 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.143 -177.766 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.89 -36.26 81.88 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.914 -1.116 . . . . 0.0 108.845 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.87 -17.33 31.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.628 ' C ' ' H ' ' A' ' 63' ' ' GLU . 49.8 tp -86.66 -19.86 28.65 Favored 'General case' 0 N--CA 1.506 2.342 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 65' ' ' GLY . 21.7 m-20 -89.26 48.0 1.56 Allowed 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 102.909 -2.997 . . . . 0.0 102.909 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.628 ' H ' ' C ' ' A' ' 61' ' ' LEU . 49.4 tp10 -43.46 -20.17 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 111.352 -2.658 . . . . 0.0 109.776 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' ASP . 79.6 m-20 -87.95 -0.17 56.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.724 -1.235 . . . . 0.0 108.204 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.607 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.85 38.17 95.21 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.437 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 27.3 p-10 -101.0 -17.45 16.74 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.887 -1.36 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.76 -10.34 62.7 Favored Glycine 0 N--CA 1.501 3.004 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 49.5 mt-10 -119.18 139.13 52.35 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 68.4 t -103.99 132.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.7 m-20 -86.2 124.06 32.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 109.009 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' A' ' 70' ' ' ASP . 87.0 m-85 -28.66 -35.04 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 O-C-N 122.107 -0.371 . . . . 0.0 111.715 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.7 tt0 -60.54 -40.86 93.09 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.456 -1.403 . . . . 0.0 109.502 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.3 mt-10 -66.26 -39.94 89.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.986 -1.071 . . . . 0.0 109.406 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.427 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 16.9 t80 -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.86 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.81 -34.64 61.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 O-C-N 120.93 -1.106 . . . . 0.0 110.842 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.34 -60.56 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.739 -1.226 . . . . 0.0 112.028 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.99 -40.72 64.99 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.822 -1.174 . . . . 0.0 112.723 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 t -67.44 -39.76 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.62 -1.3 . . . . 0.0 109.741 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.3 -25.49 57.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.572 -0.705 . . . . 0.0 109.813 179.772 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.73 -25.09 65.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.932 -1.105 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -91.87 -37.43 12.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 109.68 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.54 ' HG1' ' N ' ' A' ' 83' ' ' VAL . 61.7 p -62.0 -48.56 79.79 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.57 -179.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.54 ' N ' ' HG1' ' A' ' 82' ' ' THR . 8.6 p -74.04 -40.9 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.545 -0.722 . . . . 0.0 110.709 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.446 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.09 -34.15 74.48 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.354 -0.841 . . . . 0.0 111.139 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.68 -47.22 55.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 42.2 t30 -60.12 -41.7 93.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.036 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 28.8 t-20 -59.99 -40.88 90.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.298 -0.876 . . . . 0.0 110.505 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -64.44 -32.51 74.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.572 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 62.1 m-85 55.25 84.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.395 -0.816 . . . . 0.0 109.497 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -60.22 -28.37 67.95 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.303 -0.873 . . . . 0.0 108.911 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.06 0.31 7.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.193 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -82.03 -3.79 55.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.315 -0.865 . . . . 0.0 109.054 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.301 -1.534 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.546 -179.729 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.469 ' N ' ' O ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.532 5.04 0 N-CA-C 119.288 2.475 . . . . 0.0 119.288 . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -106.89 -78.37 0.58 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.932 -1.334 . . . . 0.0 109.711 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE2' ' ND2' ' A' ' 13' ' ' ASN . 97.2 mt-10 -59.64 -55.79 30.06 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.124 -0.985 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 95.2 mt -59.89 -38.41 82.17 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.082 -1.011 . . . . 0.0 110.815 -177.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -53.71 -43.66 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.648 -1.282 . . . . 0.0 108.35 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 35.7 p -70.25 -35.65 73.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.442 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -53.09 -55.78 21.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.647 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.9 mmm -60.15 -34.06 73.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.982 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.38 -39.99 94.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.155 -0.966 . . . . 0.0 110.082 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 21.3 p -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.646 0.736 . . . . 0.0 110.831 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.0 mt -60.6 -49.86 75.83 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.616 -0.678 . . . . 0.0 111.719 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.6 mt -70.25 -39.86 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.041 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.519 ' ND2' ' OE2' ' A' ' 3' ' ' GLU . 56.3 t-20 -59.94 -40.1 87.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.325 -1.484 . . . . 0.0 110.355 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 6.7 p -81.02 -29.8 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.351 -0.843 . . . . 0.0 110.907 -179.809 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.7 m-30 -61.44 -55.73 28.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.801 -1.187 . . . . 0.0 111.165 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -75.66 -23.91 56.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.491 -0.756 . . . . 0.0 112.086 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.29 2.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.732 -1.23 . . . . 0.0 110.895 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.008 -1.058 . . . . 0.0 111.069 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.3 p -63.39 -20.02 65.17 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.383 -0.823 . . . . 0.0 112.255 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.32 19.12 34.9 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.077 -1.014 . . . . 0.0 111.19 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -77.93 -48.31 16.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.548 -1.56 . . . . 0.0 109.669 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -143.04 64.77 1.35 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.42 -0.8 . . . . 0.0 109.531 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.53 -149.85 5.75 Favored Glycine 0 N--CA 1.493 2.486 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.49 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.535 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 48.2 t0 -87.97 155.26 19.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.523 -0.987 . . . . 0.0 109.206 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.535 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 62.8 mttp -21.28 -82.86 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.491 0 C-N-CA 122.281 0.232 . . . . 0.0 111.434 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 21.4 p90 -131.17 79.4 1.89 Allowed 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 122.301 1.048 . . . . 0.0 110.007 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 142.69 32.3 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.0 tp -95.37 147.19 23.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.709 -1.244 . . . . 0.0 108.372 -179.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.454 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 54.6 m -130.22 162.96 27.76 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -50.78 -46.35 59.51 Favored 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 118.441 -1.303 . . . . 0.0 110.618 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.52 -33.8 73.33 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.819 -1.176 . . . . 0.0 110.846 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.454 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.2 mt-10 -73.99 -36.63 64.53 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.661 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.22 -51.32 70.07 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -70.12 -36.89 75.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.973 -1.08 . . . . 0.0 112.694 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.05 -35.77 78.78 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.719 -1.238 . . . . 0.0 107.737 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.9 -38.71 89.38 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 121.712 -0.618 . . . . 0.0 111.748 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.1 mt -83.98 -37.41 22.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.878 -1.139 . . . . 0.0 112.834 -177.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.623 ' NE2' ' HG1' ' B' ' 39' ' ' THR . 1.8 pp0? -70.03 -33.3 71.81 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.691 -1.256 . . . . 0.0 110.386 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.623 ' HG1' ' NE2' ' B' ' 38' ' ' GLN . 55.2 m -75.21 -48.56 22.88 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.531 -0.731 . . . . 0.0 111.679 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 58.1 mp0 -98.0 -46.45 5.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.011 -1.055 . . . . 0.0 111.9 -177.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -100.61 78.95 2.04 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.821 -1.174 . . . . 0.0 109.307 -179.669 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' B' ' 43' ' ' SER . 39.4 m -91.18 142.14 28.05 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.1 p 78.23 -2.67 2.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 111.088 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -104.71 -78.59 0.56 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -89.09 130.43 35.54 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 177.668 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.494 ' CG ' ' HZ3' ' B' ' 49' ' ' LYS . 84.3 m-20 -121.62 77.03 1.31 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 0.0 110.308 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.518 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 4.2 m -78.1 -39.66 25.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 121.884 0.849 . . . . 0.0 110.889 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.518 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 97.8 mt-30 -60.03 -49.97 75.55 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -175.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.494 ' HZ3' ' CG ' ' B' ' 46' ' ' ASP . 0.0 OUTLIER -74.69 -37.32 62.67 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.695 -1.253 . . . . 0.0 110.146 -179.153 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -89.97 88.75 7.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.974 -1.079 . . . . 0.0 109.751 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.75 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.6 -0.688 . . . . 0.0 109.559 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' LYS . 91.1 m-20 -60.05 -39.3 85.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 109.279 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.82 -36.97 84.99 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.71 -0.619 . . . . 0.0 112.379 -179.486 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.484 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 21.8 t -70.9 -57.05 8.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 120.727 -1.233 . . . . 0.0 111.961 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.97 -41.03 97.66 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.91 -1.119 . . . . 0.0 111.162 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' B' ' 52' ' ' ASP . 36.9 mmtm -69.5 -39.93 77.29 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.465 -0.772 . . . . 0.0 111.903 -177.578 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.4 mt -78.89 -52.79 14.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.427 -0.796 . . . . 0.0 111.34 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.53 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -62.65 -44.28 96.68 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.421 -0.799 . . . . 0.0 111.603 -178.08 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -66.51 -36.33 82.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.035 -1.041 . . . . 0.0 108.924 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -88.03 -17.48 31.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 109.186 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.632 ' C ' ' H ' ' B' ' 63' ' ' GLU . 52.4 tp -86.41 -19.89 29.02 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.3 m-20 -89.49 48.23 1.58 Allowed 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 102.794 -3.039 . . . . 0.0 102.794 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.632 ' H ' ' C ' ' B' ' 61' ' ' LEU . 49.3 tp10 -43.48 -20.07 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 111.25 -2.705 . . . . 0.0 109.793 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 79.6 m-20 -88.16 -0.15 56.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.713 -1.242 . . . . 0.0 108.173 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.71 35.79 91.47 Favored Glycine 0 N--CA 1.494 2.513 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.501 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 27.4 p-10 -99.24 -17.77 17.94 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.885 -1.362 . . . . 0.0 110.753 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.43 -9.6 64.04 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 50.2 mt-10 -119.07 139.95 50.89 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.452 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 88.9 t -104.65 131.85 52.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 O-C-N 121.623 -0.673 . . . . 0.0 109.33 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.6 m-20 -85.82 123.77 31.56 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.01 -1.056 . . . . 0.0 109.101 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.481 ' C ' ' O ' ' B' ' 70' ' ' ASP . 87.8 m-85 -28.36 -35.02 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 O-C-N 122.254 -0.279 . . . . 0.0 111.643 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' B' ' 70' ' ' ASP . 28.5 tt0 -60.86 -40.5 93.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.442 -1.411 . . . . 0.0 109.528 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.2 mt-10 -66.67 -39.92 88.37 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.899 -1.126 . . . . 0.0 109.272 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.431 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 17.6 t80 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.867 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.2 p -69.07 -35.0 66.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 O-C-N 120.873 -1.142 . . . . 0.0 110.919 -178.566 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.4 -60.48 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.808 -1.183 . . . . 0.0 112.041 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.92 -40.64 65.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.972 -1.08 . . . . 0.0 112.801 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 t -67.77 -38.76 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.609 -1.307 . . . . 0.0 109.927 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -75.87 -25.72 56.43 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.51 -0.744 . . . . 0.0 109.893 179.764 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.82 -21.3 64.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.999 -1.063 . . . . 0.0 109.836 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.0 mt -94.89 -37.67 11.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.207 -0.933 . . . . 0.0 109.315 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -62.03 -48.11 81.75 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.523 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.446 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 8.9 p -74.4 -41.21 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.464 -0.772 . . . . 0.0 110.676 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.446 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -60.79 -34.27 74.25 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.346 -0.846 . . . . 0.0 111.181 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.57 -47.26 56.03 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.119 -0.988 . . . . 0.0 110.478 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.41 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 43.3 t30 -60.13 -41.76 93.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.059 -1.026 . . . . 0.0 110.076 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.516 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 28.8 t-20 -60.09 -40.93 91.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.426 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -64.15 -32.62 74.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.18 -0.95 . . . . 0.0 109.63 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 62.1 m-85 55.32 84.62 0.07 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.312 -0.867 . . . . 0.0 109.46 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -60.04 -28.46 67.78 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.378 -0.827 . . . . 0.0 108.896 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -71.21 0.53 7.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.221 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -82.09 -4.13 56.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.306 -0.871 . . . . 0.0 108.937 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.6 p . . . . . 0 C--N 1.302 -1.496 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.686 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -159.23 -80.09 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -0.85 . . . . 0.0 109.035 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.13 89.19 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.267 -0.896 . . . . 0.0 109.47 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 23.1 m -61.25 -37.43 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.339 -0.85 . . . . 0.0 109.084 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 66.1 t-105 -65.36 -41.98 93.25 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.063 -1.023 . . . . 0.0 109.774 179.572 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.97 -49.96 74.0 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.396 -0.815 . . . . 0.0 112.275 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.44 ' HZ3' ' CD ' ' A' ' 60' ' ' GLU . 54.7 pttt -60.87 -33.34 72.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.682 -1.261 . . . . 0.0 110.78 -178.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 23.5 tp -60.15 -49.84 76.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.877 -1.14 . . . . 0.0 110.529 -178.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.52 -39.53 93.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.867 -1.145 . . . . 0.0 109.077 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -60.07 -41.69 92.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.972 . . . . 0.0 110.509 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -69.9 -39.96 75.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.812 -1.18 . . . . 0.0 109.87 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.18 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.321 0.581 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -159.91 -79.85 0.05 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.308 -0.87 . . . . 0.0 109.039 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.03 89.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.374 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . 0.402 ' CG1' ' OE1' ' B' ' 60' ' ' GLU . 24.2 m -61.46 -37.79 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.246 -0.909 . . . . 0.0 108.998 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 66.3 t-105 -64.93 -42.02 95.03 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.037 -1.039 . . . . 0.0 109.907 179.529 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.94 -49.94 74.12 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.345 -0.847 . . . . 0.0 112.396 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -60.63 -33.34 72.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.613 -1.304 . . . . 0.0 111.004 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 22.5 tp -60.03 -50.06 75.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.858 -1.151 . . . . 0.0 110.561 -178.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.46 -39.55 94.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.85 -1.156 . . . . 0.0 109.028 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 96.1 p -59.97 -41.9 92.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 0.0 110.645 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -69.81 -39.94 76.22 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.91 -1.119 . . . . 0.0 109.819 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.481 ' NE2' ' CZ ' ' B' ' 44' ' ' PHE . 63.9 tt0 . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.05 -1.031 . . . . 0.0 109.087 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.401 ' CA ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.879 0 N-CA-C 119.554 2.582 . . . . 0.0 119.554 . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -108.51 -13.48 14.83 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -1.012 . . . . 0.0 110.288 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.507 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 56.0 mp0 -60.53 -57.4 12.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.816 -1.177 . . . . 0.0 110.353 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.92 -54.73 25.99 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.43 -1.419 . . . . 0.0 108.278 -178.747 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -45.42 -45.21 12.69 Favored 'General case' 0 C--N 1.29 -1.992 0 O-C-N 121.877 -0.515 . . . . 0.0 109.959 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.504 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 19.9 p -66.32 -32.39 73.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.913 -1.117 . . . . 0.0 110.798 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.27 89.93 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.765 -1.209 . . . . 0.0 111.599 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.69 -40.11 84.38 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.128 -1.608 . . . . 0.0 111.171 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.42 -44.7 86.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.875 -1.141 . . . . 0.0 111.835 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.499 ' CG2' ' N ' ' A' ' 11' ' ' LEU . 6.4 t -73.85 -44.86 54.25 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.499 ' N ' ' CG2' ' A' ' 10' ' ' THR . 0.3 OUTLIER -71.37 -29.45 64.97 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.89 -0.506 . . . . 0.0 112.131 -177.426 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.3 -35.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.197 -1.565 . . . . 0.0 109.269 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.13 -40.02 88.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.72 -1.238 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.14 -38.62 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.485 -0.759 . . . . 0.0 109.486 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -51.19 -59.06 4.6 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.374 -0.829 . . . . 0.0 111.48 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -71.4 -22.89 61.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.68 -0.637 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -53.3 59.44 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.772 -1.205 . . . . 0.0 110.271 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.41 -39.31 77.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -63.26 -6.9 5.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.137 -0.977 . . . . 0.0 111.014 -179.071 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.0 18.12 58.03 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -95.08 -70.85 0.69 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.195 -1.18 . . . . 0.0 108.09 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 74.3 mm-40 -128.64 61.97 1.48 Allowed 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.782 -0.574 . . . . 0.0 110.114 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -159.39 -161.63 11.39 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 56.0 t0 -91.33 156.62 17.64 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.779 -1.424 . . . . 0.0 107.361 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 44.8 mmtm -52.45 -32.45 39.54 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.869 -1.144 . . . . 0.0 108.687 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.24 15.98 11.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.891 -1.131 . . . . 0.0 113.605 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.9 148.05 43.12 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 121.096 1.771 . . . . 0.0 110.139 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.509 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.3 mm? -95.74 161.06 14.18 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.568 1.175 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 58.1 m -126.66 160.06 31.84 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -44.6 -38.82 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.974 -1.079 . . . . 0.0 111.236 -178.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -80.87 -24.31 38.45 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.765 -1.209 . . . . 0.0 112.343 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 96.3 mt-10 -82.74 -40.02 21.1 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.225 -1.547 . . . . 0.0 110.873 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.55 -36.99 71.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.243 -0.911 . . . . 0.0 109.96 -179.77 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.97 -45.4 92.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.93 -25.17 58.7 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.012 -1.055 . . . . 0.0 110.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.31 -39.96 93.15 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 121.423 -0.798 . . . . 0.0 111.98 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -84.25 -36.01 23.01 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.806 -1.184 . . . . 0.0 112.785 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.523 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.4 pp0? -69.93 -33.39 72.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.528 -1.358 . . . . 0.0 110.237 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.523 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 92.6 m -82.15 -52.41 7.01 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.295 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -79.99 -60.05 2.49 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.695 -0.628 . . . . 0.0 111.542 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.18 56.65 2.24 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 122.333 1.063 . . . . 0.0 109.453 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -69.89 -11.2 60.69 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.606 -0.684 . . . . 0.0 110.219 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -71.9 -21.42 61.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.184 -0.947 . . . . 0.0 113.15 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.586 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 44.9 t80 -160.45 -40.82 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.828 -1.795 . . . . 0.0 111.909 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.9 mm? -61.37 132.96 55.21 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 117.753 -1.579 . . . . 0.0 107.103 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.501 ' OD2' ' CB ' ' A' ' 53' ' ' ALA . 39.3 p-10 -82.67 -128.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.701 -1.249 . . . . 0.0 111.745 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER 72.1 17.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -176.559 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -122.51 9.38 9.64 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -175.86 -29.54 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.546 -0.721 . . . . 0.0 109.269 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -94.16 98.58 11.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 109.677 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.37 72.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.69 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.228 -0.92 . . . . 0.0 108.938 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' CB ' ' OD2' ' A' ' 46' ' ' ASP . . . -61.57 -39.98 93.12 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.347 -0.846 . . . . 0.0 111.238 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.91 -55.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 121.043 -1.035 . . . . 0.0 112.362 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.04 -41.37 95.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.712 -1.243 . . . . 0.0 111.517 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -71.4 -39.94 70.84 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.225 -0.922 . . . . 0.0 111.464 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.6 mt -75.0 -53.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.839 -1.163 . . . . 0.0 110.637 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.7 ppp? -63.76 -42.28 97.84 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.126 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' ' 58' ' ' MET . 78.1 tttt -68.03 -39.71 83.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 109.717 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.44 ' CD ' ' HZ3' ' C' ' 7' ' ' LYS . 98.7 mt-10 -86.25 -17.32 35.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.973 -1.079 . . . . 0.0 108.777 179.446 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' A' ' 63' ' ' GLU . 55.6 tp -87.57 -16.62 34.05 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.635 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.5 m-20 -92.65 47.39 1.29 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 102.641 -3.096 . . . . 0.0 102.641 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.579 ' H ' ' C ' ' A' ' 61' ' ' LEU . 18.2 pt-20 -46.74 -19.78 0.11 Allowed 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 111.31 -2.677 . . . . 0.0 109.977 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -87.05 3.23 46.92 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.635 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 62.77 40.42 99.19 Favored Glycine 0 N--CA 1.496 2.635 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.774 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 42.7 p-10 -102.22 -16.7 16.24 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.842 -1.387 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.07 70.88 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 45.1 mt-10 -123.33 140.09 53.37 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.52 129.29 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.124 -0.985 . . . . 0.0 110.745 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.3 157.74 29.1 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.517 -0.739 . . . . 0.0 109.489 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CE2' ' CG1' ' B' ' 83' ' ' VAL . 0.0 OUTLIER -62.33 -28.33 69.67 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.205 -0.935 . . . . 0.0 110.635 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -70.53 -40.0 73.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.538 -1.351 . . . . 0.0 109.166 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.1 -40.0 75.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.461 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 20.9 t80 -64.31 -52.39 58.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.582 -0.699 . . . . 0.0 112.049 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.98 -35.23 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.718 -0.614 . . . . 0.0 112.13 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.25 -58.75 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.917 -1.115 . . . . 0.0 111.949 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.21 -40.12 78.17 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.074 -1.016 . . . . 0.0 112.325 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.461 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 14.1 m -69.98 -37.52 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 111.205 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.402 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -74.84 -24.02 58.53 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.668 -0.645 . . . . 0.0 109.454 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.51 -29.59 67.24 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 mt -83.83 -36.69 23.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.619 -0.676 . . . . 0.0 109.259 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -64.22 -49.94 69.99 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.4 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.53 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 71.3 t -69.84 -40.98 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-O 121.752 0.787 . . . . 0.0 109.873 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.13 -34.03 74.34 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.738 0.78 . . . . 0.0 109.696 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.586 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 48.4 t -62.62 -39.95 95.43 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.83 -36.01 75.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.642 -0.661 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.445 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 24.8 t-20 -59.95 -40.18 88.12 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.297 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -76.61 -19.86 57.38 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.969 -1.082 . . . . 0.0 109.982 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 87.5 m-85 53.06 70.27 0.6 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.997 -1.065 . . . . 0.0 109.774 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.517 ' CE3' ' SG ' ' A' ' 85' ' ' CYS . 33.5 p90 -60.11 -27.04 66.7 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.337 -0.852 . . . . 0.0 110.075 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.95 -10.55 57.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.166 -0.959 . . . . 0.0 109.232 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -63.64 -34.46 77.89 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.303 -1.454 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.874 179.384 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.364 2.506 . . . . 0.0 119.364 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -108.41 -13.15 14.92 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.528 -0.984 . . . . 0.0 110.281 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.515 ' O ' ' OG1' ' B' ' 6' ' ' THR . 56.0 mp0 -60.55 -57.67 11.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.757 -1.214 . . . . 0.0 110.314 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -55.33 17.97 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.493 -1.379 . . . . 0.0 108.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -45.27 -45.05 11.8 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.941 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.515 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 19.3 p -66.67 -32.22 73.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.927 -1.108 . . . . 0.0 110.715 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.32 89.76 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.845 -1.159 . . . . 0.0 111.532 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.54 -40.13 85.03 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.259 -1.525 . . . . 0.0 111.162 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.56 -44.65 86.11 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.095 -1.003 . . . . 0.0 111.735 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.493 ' CG2' ' N ' ' B' ' 11' ' ' LEU . 6.3 t -74.08 -44.51 53.77 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.207 -0.933 . . . . 0.0 111.454 -176.603 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.493 ' N ' ' CG2' ' B' ' 10' ' ' THR . 0.3 OUTLIER -71.7 -29.51 64.65 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.825 -0.547 . . . . 0.0 112.047 -177.514 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.33 -36.86 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 119.987 -1.696 . . . . 0.0 108.912 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.37 -40.19 85.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.9 -1.125 . . . . 0.0 109.603 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.44 -39.29 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.309 -0.869 . . . . 0.0 109.497 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -50.81 -59.02 4.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.69 0.757 . . . . 0.0 111.586 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -71.37 -23.0 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.704 -0.622 . . . . 0.0 111.035 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -53.43 57.94 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.698 -1.252 . . . . 0.0 110.207 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.053 -1.029 . . . . 0.0 110.636 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.8 m -63.14 -6.49 4.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.151 -0.968 . . . . 0.0 110.96 -179.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.15 17.45 59.27 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -94.44 -71.0 0.68 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -1.175 . . . . 0.0 108.269 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.403 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 74.7 mm-40 -128.37 62.08 1.46 Allowed 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.864 -0.523 . . . . 0.0 110.09 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -159.4 -161.31 11.11 Favored Glycine 0 N--CA 1.498 2.807 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 55.7 t0 -91.46 156.73 17.5 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.52 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 44.9 mmtm -52.52 -32.59 41.21 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 118.925 -1.11 . . . . 0.0 108.63 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.05 15.7 11.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.898 -1.126 . . . . 0.0 113.648 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.68 148.19 43.7 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 121.188 1.813 . . . . 0.0 110.149 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.499 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.3 mm? -95.74 160.98 14.22 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 122.515 1.15 . . . . 0.0 111.24 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 57.0 m -126.46 160.21 31.16 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -44.68 -38.92 4.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 111.248 -178.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -80.98 -23.87 38.45 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.698 -1.251 . . . . 0.0 112.45 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 96.4 mt-10 -82.82 -40.48 20.3 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.234 -1.541 . . . . 0.0 110.86 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.9 pp -71.07 -37.12 72.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.878 . . . . 0.0 109.981 -179.814 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.03 -45.15 93.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -75.3 -24.92 57.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.96 -1.087 . . . . 0.0 110.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.46 -39.84 92.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.502 -0.749 . . . . 0.0 112.002 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.1 mt -84.1 -36.74 22.75 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.846 -1.159 . . . . 0.0 112.727 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.532 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.4 pp0? -69.08 -33.66 73.9 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.6 -1.312 . . . . 0.0 110.339 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.532 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 92.5 m -81.99 -52.51 6.97 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.671 0.748 . . . . 0.0 111.421 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.401 ' OE1' ' CA ' ' A' ' 1' ' ' GLY . 54.5 mm-40 -79.95 -60.03 2.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.658 -0.651 . . . . 0.0 111.554 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.22 56.71 2.24 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.333 1.063 . . . . 0.0 109.438 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 p -69.94 -11.5 60.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.755 . . . . 0.0 110.241 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.6 p -71.61 -21.49 61.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.218 -0.927 . . . . 0.0 113.091 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.593 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 45.1 t80 -160.31 -40.93 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 119.738 -1.851 . . . . 0.0 111.825 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 1.9 mm? -61.39 132.96 55.2 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 117.77 -1.572 . . . . 0.0 107.164 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.497 ' OD2' ' CB ' ' B' ' 53' ' ' ALA . 39.0 p-10 -82.76 -128.48 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 0.0 111.71 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.4 ' O ' ' CG2' ' B' ' 47' ' ' VAL . 0.7 OUTLIER 72.17 17.37 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 -176.344 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -122.16 9.03 9.8 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -175.71 -29.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.645 -0.659 . . . . 0.0 109.35 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -94.37 98.47 10.92 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.813 . . . . 0.0 109.515 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.07 71.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -60.2 -40.11 88.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.965 . . . . 0.0 108.882 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.497 ' CB ' ' OD2' ' B' ' 46' ' ' ASP . . . -62.69 -37.05 84.91 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.426 -0.796 . . . . 0.0 111.708 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.3 t -70.13 -55.53 14.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 120.893 -1.129 . . . . 0.0 112.268 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -64.94 -41.37 95.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.686 -1.259 . . . . 0.0 111.594 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -71.48 -39.91 70.58 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.197 -0.939 . . . . 0.0 111.412 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.489 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -74.95 -53.73 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 120.794 -1.191 . . . . 0.0 110.633 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -62.63 -42.98 99.9 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.273 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' N ' ' SD ' ' B' ' 58' ' ' MET . 77.1 tttt -68.23 -39.74 82.24 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.407 -0.808 . . . . 0.0 109.772 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.402 ' OE1' ' CG1' ' D' ' 4' ' ' VAL . 98.2 mt-10 -86.24 -17.27 35.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.015 -1.053 . . . . 0.0 108.724 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.589 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.3 tp -87.75 -16.74 33.37 Favored 'General case' 0 N--CA 1.507 2.408 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 65' ' ' GLY . 46.3 m-20 -92.62 47.65 1.32 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 102.627 -3.101 . . . . 0.0 102.627 173.443 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.589 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.3 pt-20 -46.92 -19.61 0.11 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 111.21 -2.723 . . . . 0.0 110.064 -177.745 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -87.3 3.54 46.36 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.621 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 63.48 37.94 95.57 Favored Glycine 0 N--CA 1.497 2.729 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.063 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 43.4 p-10 -100.11 -17.07 17.61 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 120.745 -1.444 . . . . 0.0 111.072 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.71 71.86 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 44.8 mt-10 -123.25 140.6 52.85 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.53 129.44 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.043 -1.036 . . . . 0.0 110.762 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.22 158.0 29.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.502 -0.748 . . . . 0.0 109.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -62.5 -28.32 69.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.229 -0.919 . . . . 0.0 110.611 179.269 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -70.56 -40.05 73.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.439 -1.413 . . . . 0.0 109.1 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.06 -40.05 75.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.212 -0.93 . . . . 0.0 110.289 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.466 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 22.4 t80 -64.28 -52.78 56.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.573 -0.704 . . . . 0.0 111.999 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.82 -35.37 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.741 -0.6 . . . . 0.0 112.119 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.05 -58.78 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.862 -1.148 . . . . 0.0 112.133 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.04 -40.0 78.85 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.967 -1.083 . . . . 0.0 112.348 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.466 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 14.9 m -70.09 -37.38 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.868 -1.145 . . . . 0.0 111.435 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.413 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -74.82 -24.49 58.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.627 -0.671 . . . . 0.0 109.392 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.31 -23.44 61.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.173 -0.954 . . . . 0.0 108.924 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 -36.22 15.88 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -64.44 -49.9 69.67 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.402 -0.919 . . . . 0.0 109.329 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.494 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 72.3 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 109.864 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.51 73.46 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.741 0.782 . . . . 0.0 109.686 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.593 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 45.2 t -62.96 -40.02 96.44 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.696 0.76 . . . . 0.0 109.003 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -59.94 -36.0 76.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.442 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 24.9 t-20 -59.92 -39.97 87.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.966 . . . . 0.0 109.416 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -77.03 -19.31 57.37 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.906 -1.121 . . . . 0.0 109.978 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.442 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 87.4 m-85 52.71 70.27 0.59 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.03 -1.044 . . . . 0.0 109.893 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.518 ' CE3' ' SG ' ' B' ' 85' ' ' CYS . 33.3 p90 -59.99 -26.94 66.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.2 -0.938 . . . . 0.0 110.143 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -69.02 -10.67 58.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.016 -1.052 . . . . 0.0 109.125 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -63.51 -35.09 79.32 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.302 -1.498 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.95 179.452 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' C' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.048 0.452 . . . . 0.0 109.831 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 84.8 tttt 56.67 -75.57 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.486 -0.759 . . . . 0.0 110.977 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' C' ' 1' ' ' LYS . . . -59.52 -50.37 74.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.897 -1.127 . . . . 0.0 109.847 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 7.8 p -60.15 -38.94 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.166 -0.959 . . . . 0.0 109.205 179.27 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 72.3 t-105 -59.88 -42.08 92.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.58 -0.7 . . . . 0.0 109.788 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -61.85 -37.57 85.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.261 -0.899 . . . . 0.0 110.526 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.528 ' NZ ' ' N ' ' A' ' 53' ' ' ALA . 4.8 tmtt? -59.53 -48.61 80.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.012 -1.055 . . . . 0.0 111.179 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.81 -41.82 74.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.519 -1.363 . . . . 0.0 110.475 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' C' ' 11' ' ' LYS . 2.9 mm? -63.45 -32.42 73.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.98 -1.075 . . . . 0.0 108.728 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p -73.04 5.83 3.1 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.505 ' H ' ' C ' ' C' ' 9' ' ' LEU . 69.1 mmtt 60.75 39.74 16.97 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.486 ' OXT' ' O ' ' C' ' 11' ' ' LYS . 63.7 tt0 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.087 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' D' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 85.0 tttt 56.55 -75.77 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.507 -0.746 . . . . 0.0 111.047 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' D' ' 1' ' ' LYS . . . -59.47 -50.16 75.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.903 -1.123 . . . . 0.0 109.923 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . 0.404 ' CG1' ' N ' ' D' ' 5' ' ' TRP . 7.6 p -60.21 -39.09 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.245 -0.909 . . . . 0.0 109.056 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . 0.404 ' N ' ' CG1' ' D' ' 4' ' ' VAL . 72.1 t-105 -60.03 -41.79 92.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.558 -0.714 . . . . 0.0 109.823 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -61.83 -37.62 85.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.322 -0.861 . . . . 0.0 110.598 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . 0.617 ' NZ ' ' N ' ' B' ' 53' ' ' ALA . 6.3 tmtt? -59.53 -48.5 81.42 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.988 -1.07 . . . . 0.0 111.19 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.77 -42.43 73.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.598 -1.314 . . . . 0.0 110.376 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.507 ' C ' ' H ' ' D' ' 11' ' ' LYS . 3.2 mm? -62.79 -32.87 74.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.002 . . . . 0.0 108.676 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -72.8 5.61 3.09 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.507 ' H ' ' C ' ' D' ' 9' ' ' LEU . 69.5 mmtt 60.73 39.71 17.08 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.486 ' OXT' ' O ' ' D' ' 11' ' ' LYS . 63.9 tt0 . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 117.806 -1.092 . . . . 0.0 110.161 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.912 0 N-CA-C 119.507 2.563 . . . . 0.0 119.507 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -106.84 -5.84 18.08 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.557 -0.967 . . . . 0.0 108.867 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.489 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 -63.09 -53.02 60.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.455 -0.778 . . . . 0.0 110.065 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 14.3 tp -59.84 -36.68 77.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.428 -0.795 . . . . 0.0 109.919 -177.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -44.87 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.288 -0.883 . . . . 0.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.463 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 32.1 p -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.594 -0.691 . . . . 0.0 110.051 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.408 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.97 -46.79 75.12 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.513 -0.742 . . . . 0.0 109.524 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.4 mmm -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.121 -0.987 . . . . 0.0 109.898 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.92 -39.88 95.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 0.0 110.445 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 23.0 p -70.53 -47.12 61.94 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 112.291 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.12 -39.96 88.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.566 -0.709 . . . . 0.0 111.125 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.42 -29.94 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 111.3 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -60.54 -40.01 89.97 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.199 -1.563 . . . . 0.0 108.57 179.463 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -80.5 -36.57 16.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.94 -52.67 64.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.948 -1.095 . . . . 0.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -71.76 -28.26 63.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.686 -0.634 . . . . 0.0 111.101 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -59.82 2.7 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.66 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 48.9 m-70 -66.46 -40.06 89.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.725 -1.235 . . . . 0.0 111.968 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.8 p -68.34 -17.53 64.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.107 -0.996 . . . . 0.0 112.37 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.44 16.17 24.45 Favored Glycine 0 N--CA 1.502 3.086 0 O-C-N 121.186 -0.946 . . . . 0.0 111.818 -177.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -67.98 -30.48 69.76 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 119.94 1.87 . . . . 0.0 108.393 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -100.18 0.37 40.35 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.925 -0.485 . . . . 0.0 109.881 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.17 34.38 37.39 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 119.818 -1.182 . . . . 0.0 110.686 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.58 46.35 1.37 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.95 -1.323 . . . . 0.0 108.974 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 49.62 -133.37 1.58 Allowed 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -125.37 76.35 1.55 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 122.226 1.012 . . . . 0.0 109.814 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.6 150.92 26.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -97.49 160.1 14.52 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.598 1.189 . . . . 0.0 111.396 -177.603 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.453 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 42.3 t -128.95 163.36 25.49 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -51.01 -40.0 57.13 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.171 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -75.46 -30.0 59.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.596 -1.315 . . . . 0.0 112.083 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' HB2' ' H ' ' A' ' 29' ' ' SER . 94.5 mt-10 -75.5 -34.4 60.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.585 -1.322 . . . . 0.0 108.569 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.95 -40.04 75.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.769 -0.582 . . . . 0.0 111.624 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.64 -39.97 94.63 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.786 -1.196 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 50.8 t0 -79.66 -31.09 41.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.944 -1.097 . . . . 0.0 110.394 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.0 -40.08 78.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.26 -0.9 . . . . 0.0 112.279 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.8 mt -82.8 -38.55 22.96 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.567 -1.333 . . . . 0.0 112.049 -177.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.656 ' NE2' ' HG1' ' A' ' 39' ' ' THR . 1.5 pp0? -69.51 -37.72 77.29 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.656 -1.278 . . . . 0.0 110.396 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.656 ' HG1' ' NE2' ' A' ' 38' ' ' GLN . 76.0 m -80.13 -66.49 0.87 Allowed 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.363 -178.017 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 30.9 mp0 -69.4 -40.13 77.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.728 -0.607 . . . . 0.0 111.433 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.8 69.95 0.7 Allowed 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 122.409 1.099 . . . . 0.0 110.287 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.4 p -81.98 -149.89 0.08 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.7 t 45.3 -10.81 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' A' ' 42' ' ' SER . 92.6 m-85 -145.1 -75.42 0.22 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.019 -1.676 . . . . 0.0 111.127 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 mm? -61.24 131.78 51.5 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.822 -1.174 . . . . 0.0 108.945 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.497 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 96.3 m-20 -114.29 146.88 39.9 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 2.4 m -153.72 -37.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.41 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 96.3 mt-30 -75.22 -50.34 16.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.409 -0.807 . . . . 0.0 111.631 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.497 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 10.3 ptpt -68.28 -39.96 81.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.051 -1.031 . . . . 0.0 111.143 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' ASP . 49.0 t0 -99.31 102.9 14.66 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.988 -1.07 . . . . 0.0 109.768 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.65 -36.04 67.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.383 -0.823 . . . . 0.0 109.541 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.9 -39.41 85.28 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.528 ' N ' ' NZ ' ' C' ' 7' ' ' LYS . . . -63.11 -37.68 88.16 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.597 -0.689 . . . . 0.0 111.257 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 62.0 t -69.73 -56.0 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.839 -1.163 . . . . 0.0 111.912 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -67.01 -40.16 87.24 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.565 -1.334 . . . . 0.0 110.958 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -70.51 -40.01 73.78 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.027 -1.046 . . . . 0.0 111.617 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 61' ' ' LEU . 97.8 mt -78.1 -55.01 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.115 -0.99 . . . . 0.0 110.031 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.28 -45.39 93.5 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.781 -0.575 . . . . 0.0 111.362 -178.109 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -68.58 -39.29 81.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.03 . . . . 0.0 109.968 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -85.36 -16.71 38.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.978 -1.076 . . . . 0.0 108.724 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.563 ' C ' ' H ' ' A' ' 63' ' ' GLU . 68.1 tp -85.82 -16.41 38.82 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.56 ' O ' ' N ' ' A' ' 65' ' ' GLY . 0.3 OUTLIER -91.29 47.16 1.36 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 174.382 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.563 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.3 tt0 -47.59 -22.9 0.55 Allowed 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.619 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.27 0.02 54.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.757 -1.215 . . . . 0.0 107.919 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.56 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 66.08 34.62 88.86 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 10.5 p-10 -100.64 -18.53 16.52 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.087 -1.243 . . . . 0.0 110.416 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.35 -0.22 85.08 Favored Glycine 0 N--CA 1.498 2.809 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.526 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 94.1 mt-10 -125.11 141.83 51.87 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.2 t -104.86 125.36 59.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 CA-C-O 122.028 0.918 . . . . 0.0 110.181 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 10.3 t70 -77.89 160.33 28.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.423 -0.798 . . . . 0.0 108.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 11.9 p90 -58.41 -28.32 65.11 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.083 -1.01 . . . . 0.0 110.629 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -70.01 -40.08 75.45 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.349 -1.469 . . . . 0.0 109.553 179.489 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.54 -39.97 64.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.006 -1.059 . . . . 0.0 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.44 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 6.7 t80 -67.68 -40.67 84.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.479 -0.763 . . . . 0.0 111.322 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.81 -31.97 27.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 O-C-N 121.354 -0.841 . . . . 0.0 110.502 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 41.8 t -72.08 -59.32 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 111.716 -178.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.3 tt -69.99 -40.01 75.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.77 -1.207 . . . . 0.0 112.047 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.23 -39.89 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 120.675 -1.266 . . . . 0.0 110.164 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.4 -24.36 59.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.221 -0.925 . . . . 0.0 109.055 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.55 -27.15 65.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.794 -1.191 . . . . 0.0 109.989 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.81 -33.32 15.02 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.98 -1.075 . . . . 0.0 110.172 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.7 t -64.32 -49.62 71.02 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.544 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' A' ' 82' ' ' THR . 60.9 t -75.04 -41.76 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.898 -1.126 . . . . 0.0 110.749 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.59 75.77 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.534 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.83 -41.32 97.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.37 -0.831 . . . . 0.0 109.097 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' O ' ' CE1' ' A' ' 89' ' ' PHE . 43.2 t30 -60.29 -41.4 93.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.487 -0.758 . . . . 0.0 110.562 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -60.02 -43.1 95.51 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.046 -1.033 . . . . 0.0 110.975 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' A' ' 89' ' ' PHE . 65.4 m-85 -69.96 -30.21 67.52 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.942 -1.099 . . . . 0.0 110.4 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' A' ' 88' ' ' PHE . 64.2 m-85 53.67 172.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 109.485 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.3 m-90 -82.73 -10.61 58.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 109.368 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.11 -39.95 87.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.472 -0.767 . . . . 0.0 109.435 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -105.64 -27.92 11.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.251 -0.906 . . . . 0.0 108.741 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.9 t . . . . . 0 C--N 1.303 -1.428 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.896 -178.785 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.404 ' N ' ' OE1' ' B' ' 3' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.876 0 N-CA-C 119.306 2.483 . . . . 0.0 119.306 . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -106.64 -5.54 18.56 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.488 -1.007 . . . . 0.0 108.764 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.459 ' O ' ' OG1' ' B' ' 6' ' ' THR . 57.8 mp0 -63.34 -53.02 59.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.488 -0.758 . . . . 0.0 110.074 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.94 -36.46 77.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.41 -0.806 . . . . 0.0 109.905 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.12 -45.1 87.89 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.115 0.96 . . . . 0.0 109.169 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.459 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 33.2 p -67.87 -31.33 71.06 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.504 -0.747 . . . . 0.0 109.939 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.436 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -56.59 -45.95 81.11 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.408 -0.917 . . . . 0.0 109.294 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -59.97 -40.06 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.665 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.9 -39.98 96.15 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.584 0.707 . . . . 0.0 110.281 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.436 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 22.4 p -70.31 -47.14 62.46 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.529 -0.732 . . . . 0.0 112.173 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 59.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.513 -0.742 . . . . 0.0 111.356 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -80.9 -31.3 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.198 -0.939 . . . . 0.0 110.993 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -39.86 87.35 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 120.468 -1.395 . . . . 0.0 108.031 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -80.4 -36.52 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.06 -52.5 65.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.939 -1.101 . . . . 0.0 111.218 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -71.97 -28.02 63.16 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.648 -0.657 . . . . 0.0 111.022 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.81 -59.89 2.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.638 -1.288 . . . . 0.0 110.596 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.54 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 49.3 m-70 -66.52 -39.96 88.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.801 -1.187 . . . . 0.0 111.932 -177.218 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -68.45 -17.33 64.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 112.332 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.61 15.43 24.41 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.769 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -67.45 -30.45 70.18 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.028 -1.866 . . . . 0.0 108.503 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -100.21 0.34 40.22 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.853 -0.529 . . . . 0.0 109.982 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.09 34.6 37.01 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 119.836 -1.173 . . . . 0.0 110.642 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.82 46.79 1.42 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.959 -1.318 . . . . 0.0 108.864 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 49.11 -133.26 1.53 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.46 76.47 1.56 Allowed 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 122.167 0.984 . . . . 0.0 109.759 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.94 150.85 26.31 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.42 160.13 14.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.724 1.25 . . . . 0.0 111.516 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.45 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.9 t -128.83 163.29 25.53 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -50.89 -39.96 55.5 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.353 -1.339 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -75.82 -29.74 58.75 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.569 -1.332 . . . . 0.0 112.069 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.45 ' HB2' ' H ' ' B' ' 29' ' ' SER . 94.3 mt-10 -75.64 -34.26 60.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.457 -1.402 . . . . 0.0 108.54 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.93 -40.08 75.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.653 -0.654 . . . . 0.0 111.61 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.5 -39.99 94.82 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.795 -1.191 . . . . 0.0 111.546 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 50.5 t0 -79.63 -31.03 41.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.894 -1.128 . . . . 0.0 110.329 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.01 -40.01 78.95 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.266 -0.897 . . . . 0.0 112.378 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 90.8 mt -82.68 -39.53 21.91 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.564 -1.335 . . . . 0.0 111.833 -178.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.592 ' NE2' ' HG1' ' B' ' 39' ' ' THR . 1.5 pp0? -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.715 -1.241 . . . . 0.0 110.345 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.592 ' HG1' ' NE2' ' B' ' 38' ' ' GLN . 70.0 m -79.95 -66.69 0.84 Allowed 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.291 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 30.9 mp0 -69.48 -40.1 77.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 -177.591 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.79 69.92 0.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 CA-C-O 122.416 1.103 . . . . 0.0 110.245 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.627 ' O ' ' N ' ' B' ' 44' ' ' PHE . 84.0 p -81.98 -149.95 0.08 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t 45.19 -10.43 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.627 ' N ' ' O ' ' B' ' 42' ' ' SER . 91.3 m-85 -145.38 -75.27 0.22 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 119.971 -1.706 . . . . 0.0 111.232 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -61.44 131.8 51.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.848 -1.157 . . . . 0.0 108.881 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.461 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 96.8 m-20 -114.4 146.95 39.95 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 2.7 m -153.73 -37.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 97.2 mt-30 -75.2 -50.07 17.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.515 -0.741 . . . . 0.0 111.719 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.461 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 10.2 ptpt -68.51 -40.13 80.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.024 -1.048 . . . . 0.0 111.053 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -98.9 102.9 14.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.084 -1.01 . . . . 0.0 109.862 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.71 66.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.814 . . . . 0.0 109.506 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.483 ' C ' ' HZ2' ' D' ' 7' ' ' LYS . 89.6 m-20 -60.05 -38.98 84.4 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.617 ' N ' ' NZ ' ' D' ' 7' ' ' LYS . . . -63.95 -35.58 81.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.683 -0.635 . . . . 0.0 111.604 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 65.5 t -71.22 -55.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.781 -1.199 . . . . 0.0 111.942 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -66.99 -40.13 87.29 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.666 -1.271 . . . . 0.0 111.016 -177.5 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -70.52 -40.06 73.73 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.104 -0.997 . . . . 0.0 111.581 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -78.21 -54.85 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.986 . . . . 0.0 110.245 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.99 -45.67 91.96 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.738 -0.601 . . . . 0.0 111.428 -178.379 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.39 -39.61 81.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.135 -0.978 . . . . 0.0 109.939 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -85.29 -16.82 38.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.041 . . . . 0.0 108.735 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.567 ' C ' ' H ' ' B' ' 63' ' ' GLU . 67.7 tp -85.66 -16.32 39.52 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 0.3 OUTLIER -91.42 46.88 1.33 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 103.099 -2.926 . . . . 0.0 103.099 174.415 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.567 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.4 tt0 -47.27 -22.83 0.45 Allowed 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 111.633 -2.53 . . . . 0.0 109.572 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -86.32 0.02 54.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.848 -1.157 . . . . 0.0 108.061 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 66.88 32.72 81.86 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.737 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.491 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 10.8 p-10 -99.57 -19.0 17.09 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.987 -1.302 . . . . 0.0 110.409 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.58 0.0 86.46 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 94.4 mt-10 -125.34 141.86 51.83 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 95.1 t -104.42 125.42 59.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-O 121.946 0.879 . . . . 0.0 110.252 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 10.4 t70 -77.59 160.29 28.66 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.419 -0.801 . . . . 0.0 109.039 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 12.7 p90 -58.39 -28.4 65.15 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.137 -0.977 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 88.5 mt-30 -70.11 -39.95 75.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.312 -1.492 . . . . 0.0 109.573 179.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.54 -40.06 64.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.113 . . . . 0.0 110.329 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.454 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 5.8 t80 -67.78 -40.24 84.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.4 p -75.09 -31.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.458 -0.776 . . . . 0.0 110.454 -179.052 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 45.7 t -72.24 -58.99 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.214 -0.929 . . . . 0.0 111.66 -178.643 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.79 -1.194 . . . . 0.0 111.87 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.51 -39.88 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.773 -1.204 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.77 59.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.074 -1.016 . . . . 0.0 109.129 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.02 -22.09 63.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.816 -1.178 . . . . 0.0 110.623 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -95.78 -33.67 12.18 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.792 -1.192 . . . . 0.0 109.739 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.8 t -64.14 -49.46 72.06 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.555 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' B' ' 82' ' ' THR . 59.3 t -75.27 -41.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.959 -1.088 . . . . 0.0 110.712 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.42 75.58 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.487 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.68 -41.4 98.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.237 -0.914 . . . . 0.0 109.056 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.411 ' O ' ' CE1' ' B' ' 89' ' ' PHE . 42.8 t30 -60.43 -41.2 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.452 -0.78 . . . . 0.0 110.653 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -59.97 -43.2 95.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 110.917 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' B' ' 89' ' ' PHE . 65.2 m-85 -70.01 -30.02 67.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.883 -1.136 . . . . 0.0 110.426 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' B' ' 88' ' ' PHE . 63.5 m-85 53.5 172.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 109.547 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -82.75 -10.67 58.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 0.0 109.326 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.437 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -105.58 -28.02 11.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.258 -0.901 . . . . 0.0 108.811 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.9 -178.777 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.556 ' H2 ' ' CD ' ' C' ' 1' ' ' LYS . 1.1 mptm? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.07 -40.67 90.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.375 -0.828 . . . . 0.0 109.952 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.23 90.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.103 -0.998 . . . . 0.0 109.789 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.54 -44.24 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.283 -0.885 . . . . 0.0 109.525 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -59.98 -47.77 84.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.888 . . . . 0.0 109.837 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -63.64 -40.01 95.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.931 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.97 -43.61 94.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 109.597 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 21.1 tp -60.12 -51.61 68.89 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.805 . . . . 0.0 110.872 -179.133 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.881 -1.137 . . . . 0.0 110.336 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 89.6 p -62.36 -42.49 99.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.941 -1.099 . . . . 0.0 109.673 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.8 -40.07 76.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.368 -0.832 . . . . 0.0 109.564 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 118.028 -0.986 . . . . 0.0 109.636 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -60.06 -40.95 91.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.386 -0.821 . . . . 0.0 109.851 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.0 90.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.039 -1.038 . . . . 0.0 109.865 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.67 -44.16 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.262 -0.898 . . . . 0.0 109.41 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -60.02 -47.95 83.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.238 -0.914 . . . . 0.0 109.794 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -63.54 -39.96 95.76 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.168 -0.958 . . . . 0.0 110.013 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.94 -43.5 94.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.102 -0.999 . . . . 0.0 109.612 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -60.2 -51.61 68.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.358 -0.838 . . . . 0.0 110.83 -179.036 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 59.4 mt -70.04 -39.97 75.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.932 -1.105 . . . . 0.0 110.319 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 88.9 p -62.31 -42.56 99.47 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -69.62 -40.08 76.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.299 -0.876 . . . . 0.0 109.599 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.582 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.832 0 N-CA-C 119.4 2.52 . . . . 0.0 119.4 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -108.34 -4.08 17.76 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.568 -0.96 . . . . 0.0 109.086 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.431 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 58.0 mp0 -64.43 -52.4 58.31 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.819 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.1 tp -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.444 0.64 . . . . 0.0 110.25 -178.028 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.7 -48.69 77.13 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.103 0.954 . . . . 0.0 109.683 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 16.4 p -65.39 -28.96 69.63 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.306 0.574 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.44 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.8 -48.05 78.84 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.388 -0.82 . . . . 0.0 109.549 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -60.05 -39.98 87.84 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.985 -1.072 . . . . 0.0 109.273 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.72 -39.99 90.68 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.452 -0.78 . . . . 0.0 110.341 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 12.6 p -70.39 -46.35 64.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.22 0.533 . . . . 0.0 111.982 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 81.0 mt -57.41 -39.58 76.46 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.306 -0.871 . . . . 0.0 110.172 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.88 -30.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 111.506 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.35 -40.06 95.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.022 -1.674 . . . . 0.0 109.855 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -81.67 -37.18 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.832 -0.542 . . . . 0.0 111.259 -179.34 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.6 m-30 -58.59 -51.83 68.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.59 -23.88 56.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.534 -0.729 . . . . 0.0 111.534 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -61.01 1.99 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.792 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.37 -39.32 89.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.459 -1.4 . . . . 0.0 110.069 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.46 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 78.5 p -67.59 -15.7 63.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.321 -0.862 . . . . 0.0 111.279 -179.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.4 16.97 56.39 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -95.18 -71.47 0.67 Allowed 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 32' ' ' GLU . 98.9 mt-10 -114.42 44.77 1.65 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.514 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . -96.89 144.08 17.13 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' OD2' ' OE1' ' A' ' 68' ' ' GLU . 96.2 m-20 -80.27 38.51 0.42 Allowed 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 26' ' ' TYR . 13.5 ttmm 65.85 79.82 0.24 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -178.875 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.549 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 16.3 t80 100.7 12.09 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -149.2 151.95 35.18 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 119.832 -1.792 . . . . 0.0 110.219 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.4 mm? -95.76 168.49 10.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.041 0.925 . . . . 0.0 110.562 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.5 p -127.65 159.74 33.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.453 ' HZ2' ' CG1' ' A' ' 54' ' ' VAL . 15.7 tttp -48.46 -39.98 24.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.844 -1.16 . . . . 0.0 110.302 -179.625 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -71.16 -30.06 65.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.075 -1.016 . . . . 0.0 112.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 42.9 mt-10 -77.45 -35.19 54.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.414 -1.429 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.14 -43.77 66.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.553 -0.717 . . . . 0.0 111.29 -179.348 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.69 -44.36 96.61 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.688 -1.257 . . . . 0.0 110.826 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.66 -32.63 69.97 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 112.541 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 87.3 mt -83.86 -38.4 21.23 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.564 -1.335 . . . . 0.0 112.472 -177.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.6 ' NE2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -70.01 -48.74 56.85 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.766 -1.209 . . . . 0.0 110.599 -178.037 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.6 ' N ' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -69.96 -39.99 75.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.495 -0.753 . . . . 0.0 112.737 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -106.61 -30.61 8.91 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.289 -0.882 . . . . 0.0 112.381 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.92 68.31 0.7 Allowed 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 122.342 1.068 . . . . 0.0 109.958 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.648 ' O ' ' N ' ' A' ' 44' ' ' PHE . 13.5 m -81.17 -148.39 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.2 m 48.72 -22.18 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.648 ' N ' ' O ' ' A' ' 42' ' ' SER . 96.5 m-85 -141.79 -60.01 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.245 -1.534 . . . . 0.0 111.435 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.6 mm? -77.45 132.09 38.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.581 -1.324 . . . . 0.0 109.418 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.87 159.12 33.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.483 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 27.3 m -159.57 -34.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -75.6 -41.75 53.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.611 -0.68 . . . . 0.0 112.228 -177.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -69.85 -35.64 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.679 -1.263 . . . . 0.0 110.037 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -109.77 104.81 13.83 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.762 . . . . 0.0 110.099 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.36 74.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.344 -0.848 . . . . 0.0 109.0 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.157 -0.964 . . . . 0.0 108.639 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.49 82.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.292 -0.88 . . . . 0.0 110.379 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 30.1 t -70.12 -57.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 112.083 -177.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.407 -1.433 . . . . 0.0 111.561 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -70.1 -39.9 75.26 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 111.322 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.507 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -77.49 -52.32 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 120.849 -1.157 . . . . 0.0 110.464 -177.331 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.464 ' CE ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -59.98 -48.31 82.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.511 -0.743 . . . . 0.0 110.882 -178.143 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.57 -39.12 84.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 110.238 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.25 -16.98 31.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.956 -1.09 . . . . 0.0 109.855 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.554 ' C ' ' H ' ' A' ' 63' ' ' GLU . 63.3 tp -80.68 -14.58 58.01 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 64' ' ' ASN . 12.1 m-20 -94.81 37.42 1.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.419 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.554 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.4 tt0 -35.71 -21.54 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 112.071 -2.331 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' ASP . 22.9 t-20 -86.03 -6.7 58.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.657 -1.277 . . . . 0.0 108.707 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 85.53 29.14 27.88 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 178.184 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.661 ' C ' ' H ' ' A' ' 68' ' ' GLU . 23.4 p-10 -109.83 114.37 27.89 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.53 15.19 0.05 OUTLIER Glycine 0 N--CA 1.491 2.351 0 C-N-CA 118.206 -1.95 . . . . 0.0 110.863 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.661 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.9 mt-10 -120.5 141.86 49.82 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.1 t -104.58 131.28 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.177 -0.952 . . . . 0.0 111.244 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 9.3 t70 -79.94 156.75 27.1 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.758 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.498 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 43.7 p90 -60.16 -38.92 84.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.237 -0.914 . . . . 0.0 110.161 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 54.6 tt0 -60.03 -40.77 90.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.097 -1.002 . . . . 0.0 110.84 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 61' ' ' LEU . 37.8 mt-10 -69.03 -40.03 78.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.775 -1.203 . . . . 0.0 110.352 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.444 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 20.7 t80 -62.46 -42.12 99.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 112.164 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.77 -35.2 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.915 -1.116 . . . . 0.0 111.007 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.01 -60.17 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.133 -0.98 . . . . 0.0 111.983 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.64 -40.53 73.03 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.88 -1.137 . . . . 0.0 112.511 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.14 -40.81 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.579 -1.326 . . . . 0.0 110.16 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 108.885 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.32 -26.6 68.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.86 -25.95 17.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.377 -0.827 . . . . 0.0 109.419 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -64.45 -55.04 23.47 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.409 -0.807 . . . . 0.0 110.253 -179.377 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 82' ' ' THR . 4.5 m -80.16 -34.09 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.559 -1.338 . . . . 0.0 110.726 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.1 93.89 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.939 -1.1 . . . . 0.0 110.155 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.42 -40.01 89.28 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.292 -0.88 . . . . 0.0 109.482 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.92 -39.67 86.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -60.0 -40.0 87.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.0 110.007 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -67.62 -40.03 84.67 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.856 -1.153 . . . . 0.0 109.204 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' CZ ' ' OE1' ' A' ' 91' ' ' GLU . 1.9 t80 56.28 88.14 0.05 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.229 -0.919 . . . . 0.0 109.276 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.515 ' C ' ' H ' ' A' ' 92' ' ' ASN . 83.1 m95 -61.92 -21.23 64.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 109.953 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 99.1 mt-10 -62.03 5.82 0.09 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.271 -0.893 . . . . 0.0 110.292 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.515 ' H ' ' C ' ' A' ' 90' ' ' TRP . 91.4 m-20 -84.68 -4.05 58.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.929 -1.107 . . . . 0.0 108.39 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--N 1.302 -1.486 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.824 -179.853 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.881 0 N-CA-C 119.527 2.571 . . . . 0.0 119.527 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -108.02 -4.35 17.9 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.398 -1.06 . . . . 0.0 109.024 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.426 ' O ' ' OG1' ' B' ' 6' ' ' THR . 58.0 mp0 -64.27 -52.61 57.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.347 -0.845 . . . . 0.0 109.71 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 17.9 tp -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.326 0.584 . . . . 0.0 110.282 -177.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.53 -48.89 76.29 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.156 0.979 . . . . 0.0 109.7 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.426 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 16.4 p -65.19 -27.92 69.03 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.464 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.24 -46.94 85.03 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.485 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -59.93 -40.06 87.62 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.126 -0.984 . . . . 0.0 109.093 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.87 -39.94 91.1 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.706 0.765 . . . . 0.0 110.144 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.464 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 11.8 p -70.59 -46.56 63.21 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.756 -0.59 . . . . 0.0 111.884 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.5 mt -57.04 -39.98 75.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 58.3 mt -78.58 -33.2 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 111.315 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.06 -40.14 88.43 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.164 -1.585 . . . . 0.0 109.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -82.0 -37.43 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.777 -0.577 . . . . 0.0 111.194 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.5 m-30 -58.18 -52.08 67.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.085 . . . . 0.0 110.573 -178.557 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.54 -23.88 56.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.485 -0.76 . . . . 0.0 111.485 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.91 -60.9 2.04 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.378 -1.451 . . . . 0.0 110.921 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -66.38 -39.3 89.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.335 -1.478 . . . . 0.0 110.087 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 79.0 p -67.41 -15.65 63.79 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.344 -0.848 . . . . 0.0 111.241 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.45 16.4 57.8 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -94.68 -71.6 0.66 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 99.3 mt-10 -114.25 44.52 1.67 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.516 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . -96.44 144.16 17.14 Favored Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.429 ' OD2' ' OE1' ' B' ' 68' ' ' GLU . 96.2 m-20 -80.46 38.17 0.42 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' B' ' 26' ' ' TYR . 13.8 ttmm 66.21 79.79 0.23 Allowed 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.556 ' CB ' ' O ' ' B' ' 25' ' ' LYS . 16.3 t80 100.66 12.16 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.505 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -149.36 152.07 35.17 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 119.791 -1.818 . . . . 0.0 110.157 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -95.97 168.16 10.8 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.097 0.951 . . . . 0.0 110.58 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -127.33 159.42 34.46 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -48.02 -39.95 21.33 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.777 -1.202 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -71.74 -29.5 64.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.041 -1.037 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' B' ' 22' ' ' GLU . 42.7 mt-10 -77.44 -35.28 54.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.358 -1.464 . . . . 0.0 109.961 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -71.04 -43.8 67.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.731 . . . . 0.0 111.399 -179.302 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -60.45 -44.66 95.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.65 -1.281 . . . . 0.0 110.858 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.42 -32.58 70.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.58 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -40.09 95.22 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.508 -0.745 . . . . 0.0 112.619 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 88.8 mt -84.12 -38.14 21.09 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.529 -1.357 . . . . 0.0 112.428 -177.789 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.601 ' NE2' ' N ' ' B' ' 39' ' ' THR . 0.0 OUTLIER -70.08 -48.57 57.18 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.68 -1.263 . . . . 0.0 110.746 -178.175 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.601 ' N ' ' NE2' ' B' ' 38' ' ' GLN . 94.5 m -70.01 -39.96 75.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 112.627 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -106.76 -30.69 8.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.173 -0.954 . . . . 0.0 112.277 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.09 68.26 0.7 Allowed 'General case' 0 N--CA 1.506 2.361 0 CA-C-O 122.279 1.038 . . . . 0.0 109.872 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.651 ' O ' ' N ' ' B' ' 44' ' ' PHE . 12.1 m -81.07 -148.16 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.071 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m 48.75 -22.15 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.651 ' N ' ' O ' ' B' ' 42' ' ' SER . 96.5 m-85 -142.04 -60.02 0.46 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.109 -1.619 . . . . 0.0 111.375 -178.055 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.429 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.8 mm? -77.48 132.13 38.27 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.594 -1.316 . . . . 0.0 109.463 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.91 158.97 33.81 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 28.6 m -159.47 -34.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -75.62 -41.95 52.98 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 0.0 112.306 -177.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -69.67 -35.93 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 110.002 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -109.62 104.71 13.78 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.451 -0.781 . . . . 0.0 110.081 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.09 74.06 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.07 -35.1 76.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.379 -0.826 . . . . 0.0 110.869 179.721 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 39.2 t -72.6 -56.92 8.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.134 -0.979 . . . . 0.0 111.959 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.73 -42.99 99.68 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.463 -1.398 . . . . 0.0 111.595 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.97 -40.0 75.65 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 111.316 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.8 mt -77.44 -52.51 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.873 -1.142 . . . . 0.0 110.462 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.465 ' CE ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.99 -47.94 83.75 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.55 -0.719 . . . . 0.0 111.002 -178.11 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -67.83 -38.78 83.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.344 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.53 -17.01 31.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.026 -1.046 . . . . 0.0 109.887 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.55 ' C ' ' H ' ' B' ' 63' ' ' GLU . 66.2 tp -80.77 -14.37 58.14 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' B' ' 64' ' ' ASN . 12.0 m-20 -94.88 37.25 1.15 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.55 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.4 tt0 -35.67 -21.82 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 112.007 -2.36 . . . . 0.0 111.337 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 23.0 t-20 -85.76 -6.62 59.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.604 -1.31 . . . . 0.0 108.802 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.514 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.32 29.4 27.76 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.667 ' C ' ' H ' ' B' ' 68' ' ' GLU . 23.4 p-10 -109.87 114.45 28.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.47 15.15 0.05 OUTLIER Glycine 0 C--N 1.285 -2.256 0 C-N-CA 118.153 -1.975 . . . . 0.0 110.718 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.667 ' H ' ' C ' ' B' ' 66' ' ' ASP . 44.2 mt-10 -120.79 141.48 50.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.57 131.17 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.11 -0.993 . . . . 0.0 111.399 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 9.4 t70 -79.75 156.85 27.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.77 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 43.6 p90 -60.16 -39.01 84.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.23 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 54.6 tt0 -60.02 -40.64 90.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.064 -1.023 . . . . 0.0 110.846 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' B' ' 61' ' ' LEU . 37.8 mt-10 -69.23 -39.94 78.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.002 -1.061 . . . . 0.0 110.291 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.456 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 21.0 t80 -62.57 -41.89 99.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.575 -0.703 . . . . 0.0 112.199 -178.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.93 -35.36 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 111.024 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.12 -60.21 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 111.826 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 tp -70.44 -40.22 73.89 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.857 -1.152 . . . . 0.0 112.564 -176.647 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.96 -40.15 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.527 -1.358 . . . . 0.0 110.135 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.43 61.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.173 -0.954 . . . . 0.0 108.981 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.11 65.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.868 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -95.95 -26.41 15.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.245 -0.909 . . . . 0.0 108.903 179.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.5 OUTLIER -64.39 -55.01 23.91 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.275 -179.177 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.466 ' N ' ' CG2' ' B' ' 82' ' ' THR . 5.4 m -80.08 -34.62 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.691 -1.255 . . . . 0.0 110.709 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.91 92.51 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 110.352 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.55 -40.08 88.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.92 -39.66 86.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.514 -0.741 . . . . 0.0 110.173 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -59.98 -40.01 87.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.184 -0.948 . . . . 0.0 110.033 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.64 -40.0 84.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.79 -1.194 . . . . 0.0 109.209 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.404 ' CZ ' ' OE1' ' B' ' 91' ' ' GLU . 1.9 t80 56.38 87.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 0.0 109.242 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.528 ' C ' ' H ' ' B' ' 92' ' ' ASN . 83.2 m95 -61.66 -21.39 64.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -0.808 . . . . 0.0 109.921 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.404 ' OE1' ' CZ ' ' B' ' 89' ' ' PHE . 99.0 mt-10 -62.0 5.89 0.09 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 0.0 110.314 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.528 ' H ' ' C ' ' B' ' 90' ' ' TRP . 91.7 m-20 -84.63 -4.36 58.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.867 -1.146 . . . . 0.0 108.34 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 C--N 1.301 -1.514 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.86 -179.835 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.418 ' H3 ' ' H ' ' C' ' 2' ' ' LYS . 4.4 mptp? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.418 ' H ' ' H3 ' ' C' ' 1' ' ' LYS . 27.5 ttpp -60.02 -39.99 87.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -0.819 . . . . 0.0 109.929 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.04 85.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.226 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.06 -40.67 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.974 -1.079 . . . . 0.0 109.503 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.66 -40.72 95.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.996 -1.065 . . . . 0.0 109.104 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -63.36 -40.09 96.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.81 -1.181 . . . . 0.0 110.166 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.29 -50.13 74.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.111 -0.993 . . . . 0.0 110.641 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' C' ' 12' ' ' GLN . 58.7 tp -70.04 -39.98 75.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.85 -40.02 95.6 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.883 . . . . 0.0 108.879 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 7.6 t -64.16 -48.84 74.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.632 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -84.42 -12.56 54.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.474 -0.766 . . . . 0.0 109.764 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' C' ' 8' ' ' LEU . 27.5 mt-30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.325 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.409 ' HD2' ' H2 ' ' D' ' 1' ' ' LYS . 4.3 mptp? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -59.99 -40.02 87.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.36 -0.838 . . . . 0.0 109.855 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.16 86.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.939 . . . . 0.0 110.273 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.06 -40.64 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.052 -1.03 . . . . 0.0 109.476 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.68 -40.85 96.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.085 -1.009 . . . . 0.0 109.09 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -63.35 -40.06 96.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.871 -1.143 . . . . 0.0 110.168 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.25 -50.17 74.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.97 . . . . 0.0 110.814 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' D' ' 12' ' ' GLN . 58.7 tp -70.0 -40.04 75.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.91 -1.118 . . . . 0.0 110.138 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 108.905 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -64.37 -48.54 75.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.662 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -84.59 -12.42 54.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.463 -0.773 . . . . 0.0 109.768 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' D' ' 8' ' ' LEU . 28.3 mt-30 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.327 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.391 2.516 . . . . 0.0 119.391 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -107.12 -0.12 23.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.51 -0.994 . . . . 0.0 108.836 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.458 ' O ' ' OG1' ' A' ' 6' ' ' THR . 96.2 mt-10 -60.41 -55.16 36.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 0.0 110.02 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 82.5 mt -59.7 -35.79 75.2 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.849 -1.157 . . . . 0.0 110.003 -178.858 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.32 -43.86 75.29 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.458 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -71.32 -32.01 68.08 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 110.128 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.452 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -57.9 -51.09 71.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.396 -0.815 . . . . 0.0 110.285 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 tpt -60.76 -40.25 91.77 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.014 -1.054 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.35 -40.07 95.14 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.337 -0.852 . . . . 0.0 110.642 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 15.7 p -64.06 -43.56 95.12 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.776 -0.578 . . . . 0.0 109.755 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 95.0 mt -60.06 -40.04 88.08 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.549 -0.719 . . . . 0.0 112.667 -178.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.57 -25.9 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 O-C-N 120.067 -1.646 . . . . 0.0 111.185 -178.509 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.99 -40.03 95.46 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.298 -1.501 . . . . 0.0 109.84 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -85.13 -36.08 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.638 -0.664 . . . . 0.0 110.706 179.775 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.65 -49.95 75.76 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 110.315 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -76.19 -23.16 54.67 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.567 -0.708 . . . . 0.0 111.226 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.85 -62.72 1.5 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.571 -1.331 . . . . 0.0 111.564 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -64.12 -39.98 95.21 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.67 -1.269 . . . . 0.0 110.959 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 t -66.47 -14.63 62.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.299 -0.876 . . . . 0.0 111.343 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.23 13.42 55.27 Favored Glycine 0 N--CA 1.497 2.745 0 O-C-N 121.28 -0.888 . . . . 0.0 111.308 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -81.82 -61.22 1.98 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.369 -1.665 . . . . 0.0 108.086 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.441 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 13.5 pt-20 -126.86 4.17 6.62 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.01 -172.64 44.52 Favored Glycine 0 N--CA 1.486 2.012 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -98.5 177.3 5.38 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -58.83 99.89 0.06 Allowed 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.143 -0.973 . . . . 0.0 110.55 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 64.48 40.1 6.45 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.534 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 1.9 tpmt? -140.58 141.85 35.17 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.05 154.89 17.05 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 122.325 1.06 . . . . 0.0 110.662 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 73.4 m -126.11 160.01 31.3 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 178.196 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -45.06 -42.84 8.97 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.896 -1.128 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 64.9 tttm -69.98 -28.76 65.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 111.921 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.0 -39.97 54.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.607 -1.308 . . . . 0.0 108.606 179.442 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.362 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 17.0 ptmt -69.98 -32.67 71.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.773 -1.204 . . . . 0.0 112.928 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.81 -35.51 62.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.44 -1.412 . . . . 0.0 109.142 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 5.6 tt -67.51 -37.97 83.58 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.635 -0.666 . . . . 0.0 111.41 -178.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -82.09 -39.86 22.76 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.678 -1.264 . . . . 0.0 112.726 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 34' ' ' LYS . 4.4 pt20 -69.44 -39.98 77.48 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.759 -1.213 . . . . 0.0 110.282 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.4 m -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.356 0.598 . . . . 0.0 110.941 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 57.9 mm-40 -89.04 -50.02 6.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.36 -0.838 . . . . 0.0 111.28 -177.521 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.41 71.55 1.55 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.862 -1.149 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.0 m -81.61 139.32 35.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 83.6 -7.39 1.11 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.753 -0.592 . . . . 0.0 111.313 178.951 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -105.42 -77.9 0.58 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 mm? -96.04 120.52 36.46 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.67 91.36 3.56 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 122.37 1.081 . . . . 0.0 110.507 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 3.5 m -81.7 -22.46 10.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.988 -178.585 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.432 ' OE1' ' OE1' ' A' ' 38' ' ' GLN . 26.9 mt-30 -69.36 -60.1 2.56 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.993 -1.067 . . . . 0.0 113.026 -176.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.22 -30.01 64.5 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.937 -1.102 . . . . 0.0 111.814 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -94.91 94.19 7.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.71 -1.244 . . . . 0.0 109.728 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.425 -0.797 . . . . 0.0 110.146 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 32.6 p-10 -59.96 -37.44 79.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 0.0 109.017 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.85 -37.74 87.0 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.777 -0.577 . . . . 0.0 111.363 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 61.8 t -70.04 -56.49 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.957 -1.089 . . . . 0.0 111.829 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 58.7 t0 -64.29 -39.96 94.99 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.591 -1.318 . . . . 0.0 110.876 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -69.91 -40.03 75.83 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.313 -0.867 . . . . 0.0 111.516 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -80.11 -52.48 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.141 -0.974 . . . . 0.0 110.889 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 tpt -60.02 -44.87 94.31 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.492 -0.755 . . . . 0.0 110.825 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -69.95 -37.11 75.74 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.973 -1.079 . . . . 0.0 110.097 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -88.59 -17.52 29.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.026 -1.046 . . . . 0.0 109.823 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.6 ' C ' ' H ' ' A' ' 63' ' ' GLU . 60.6 tp -83.2 -17.73 41.79 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.619 ' O ' ' N ' ' A' ' 65' ' ' GLY . 10.5 t0 -92.43 45.55 1.21 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 103.123 -2.917 . . . . 0.0 103.123 173.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.6 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.0 tt0 -39.56 -19.48 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 111.455 -2.611 . . . . 0.0 110.649 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 62' ' ' ASP . 81.8 m-20 -87.72 -0.06 56.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.627 -1.296 . . . . 0.0 108.323 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.619 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.07 34.9 91.15 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.838 178.137 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 4.3 p-10 -102.22 -14.02 17.17 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.9 -1.353 . . . . 0.0 110.54 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.486 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -7.45 69.26 Favored Glycine 0 N--CA 1.501 3.01 0 O-C-N 120.665 -1.272 . . . . 0.0 110.874 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 99.6 mt-10 -118.43 142.19 47.8 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.8 t -102.64 134.0 44.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 110.711 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.534 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 92.0 m-20 -82.49 159.83 22.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 54.1 p90 -59.23 -39.57 83.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.0 109.682 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -63.17 -39.94 96.1 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.002 -1.061 . . . . 0.0 110.295 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.94 -40.1 75.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.622 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.424 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 41.5 t80 -69.24 -40.06 78.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.368 -0.832 . . . . 0.0 112.303 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.95 -30.15 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.543 -0.723 . . . . 0.0 111.447 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -73.3 -58.09 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.015 -1.053 . . . . 0.0 111.768 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.03 88.45 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.803 -1.185 . . . . 0.0 112.497 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.424 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 19.0 m -68.09 -37.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.514 -1.367 . . . . 0.0 111.317 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -73.22 -23.94 60.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.136 -0.978 . . . . 0.0 110.618 -178.088 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.25 -51.17 26.04 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.348 -1.47 . . . . 0.0 109.732 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -64.19 -41.29 97.15 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.322 -0.862 . . . . 0.0 111.368 -178.627 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 4.0 t -61.14 -49.36 77.58 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.991 -1.068 . . . . 0.0 110.373 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 82' ' ' THR . 96.0 t -64.29 -37.9 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.018 -1.051 . . . . 0.0 109.907 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.14 66.51 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.716 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.7 m -69.97 -40.07 75.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.785 -1.197 . . . . 0.0 110.087 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.591 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -68.96 -36.45 77.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.083 -1.011 . . . . 0.0 110.078 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.591 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 27.5 t-20 -60.04 -49.64 76.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.018 -1.051 . . . . 0.0 110.472 -178.959 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 55.0 m-85 -62.73 -50.77 69.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.861 -1.15 . . . . 0.0 110.323 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 96.6 m-85 -158.16 129.98 6.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.336 -0.853 . . . . 0.0 109.319 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -67.63 -156.6 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.94 -33.23 71.63 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.094 -1.003 . . . . 0.0 108.619 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -158.51 -20.03 0.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.602 -0.686 . . . . 0.0 110.218 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.039 -1.038 . . . . 0.0 109.124 -179.094 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.915 0 N-CA-C 119.422 2.529 . . . . 0.0 119.422 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -107.03 -0.23 23.13 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.549 -0.971 . . . . 0.0 108.792 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.486 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.8 mt-10 -60.49 -54.96 39.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.341 -0.85 . . . . 0.0 110.052 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 82.4 mt -59.96 -36.11 76.41 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.869 -1.144 . . . . 0.0 109.925 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.76 -44.22 73.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.486 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.2 p -71.22 -30.59 66.54 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.427 -0.796 . . . . 0.0 110.053 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.466 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.77 -50.07 75.24 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.843 . . . . 0.0 110.068 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.68 -40.45 92.19 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.299 -0.875 . . . . 0.0 110.208 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.3 -39.98 95.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.456 -0.777 . . . . 0.0 110.622 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.2 p -64.13 -43.53 94.97 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 95.4 mt -60.03 -40.03 87.93 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.563 -0.711 . . . . 0.0 112.709 -178.535 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -81.04 -28.07 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 O-C-N 120.104 -1.623 . . . . 0.0 110.988 -178.432 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.17 -40.0 94.55 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.527 -1.358 . . . . 0.0 109.819 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -85.3 -36.29 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.583 -0.698 . . . . 0.0 110.689 -179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.51 -49.99 75.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.32 -0.862 . . . . 0.0 110.308 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -76.19 -23.41 54.66 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.61 -0.681 . . . . 0.0 111.108 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.59 -62.7 1.49 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.635 -1.291 . . . . 0.0 111.627 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -64.14 -40.0 95.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.642 -1.286 . . . . 0.0 111.039 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -66.41 -14.74 62.59 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.328 -0.858 . . . . 0.0 111.446 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.16 13.53 55.48 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.273 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -81.92 -61.41 1.92 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.441 -1.623 . . . . 0.0 108.04 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.518 ' OE2' ' NZ ' ' B' ' 31' ' ' LYS . 13.2 pt-20 -126.58 4.07 6.82 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.0 -172.84 44.82 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -98.42 176.87 5.53 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.49 100.02 0.06 Allowed 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.134 -0.979 . . . . 0.0 110.6 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 64.49 40.0 6.48 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.533 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 1.9 tpmt? -140.5 142.07 35.29 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.27 154.65 17.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.305 1.05 . . . . 0.0 110.589 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 74.6 m -125.51 160.67 28.94 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.237 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -45.74 -43.01 12.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.518 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 65.0 tttm -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 111.905 -178.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 25.3 mt-10 -76.09 -39.78 54.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.524 -1.36 . . . . 0.0 108.554 179.409 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.94 -50.04 75.3 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.403 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.482 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -70.03 -32.74 71.03 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.865 -1.147 . . . . 0.0 112.901 -176.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.55 -35.77 63.1 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.515 -1.366 . . . . 0.0 109.161 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 5.5 tt -67.44 -37.8 83.56 Favored 'General case' 0 C--N 1.29 -2.022 0 O-C-N 121.685 -0.635 . . . . 0.0 111.493 -178.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.33 -39.99 22.05 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.61 -1.306 . . . . 0.0 112.623 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' B' ' 34' ' ' LYS . 4.5 pt20 -69.2 -39.95 78.32 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.686 -1.259 . . . . 0.0 110.306 -178.288 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.1 m -76.12 -45.65 32.7 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.434 0.635 . . . . 0.0 110.889 -177.604 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 58.6 mm-40 -88.98 -50.05 6.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.398 -0.814 . . . . 0.0 111.304 -177.576 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -100.34 71.59 1.57 Allowed 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.882 -1.136 . . . . 0.0 109.501 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' B' ' 43' ' ' SER . 32.5 m -81.55 139.34 35.15 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 83.51 -7.45 1.13 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.741 -0.599 . . . . 0.0 111.35 178.945 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.3 -77.85 0.58 Allowed 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -96.25 120.78 37.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.8 91.22 3.52 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.408 1.099 . . . . 0.0 110.467 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.453 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 3.4 m -81.49 -22.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.071 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' B' ' 38' ' ' GLN . 27.0 mt-30 -69.26 -60.09 2.57 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 113.041 -176.636 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.16 -29.95 64.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.97 -1.081 . . . . 0.0 111.886 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -94.94 94.18 7.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.647 -1.283 . . . . 0.0 109.641 -179.401 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.473 -0.767 . . . . 0.0 110.157 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 32.5 p-10 -60.03 -37.36 79.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.002 . . . . 0.0 108.983 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.86 -34.82 78.64 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.734 -0.603 . . . . 0.0 111.818 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.453 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 58.7 t -72.34 -56.41 10.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.907 -1.121 . . . . 0.0 111.7 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 59.2 t0 -64.1 -40.03 95.33 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 120.564 -1.335 . . . . 0.0 110.777 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -70.08 -39.9 75.33 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 111.616 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.8 mt -80.02 -52.56 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.018 . . . . 0.0 110.708 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -60.04 -44.64 94.52 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.539 -0.726 . . . . 0.0 110.855 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -70.11 -36.93 75.19 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.944 -1.098 . . . . 0.0 110.037 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.69 -17.64 29.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.976 -1.078 . . . . 0.0 109.801 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.588 ' C ' ' H ' ' B' ' 63' ' ' GLU . 61.0 tp -83.16 -17.69 42.02 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 10.3 t0 -92.49 45.37 1.19 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 173.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.588 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.1 tt0 -39.43 -19.44 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 111.495 -2.593 . . . . 0.0 110.665 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 62' ' ' ASP . 81.7 m-20 -87.69 -0.02 56.32 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.598 -1.314 . . . . 0.0 108.347 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.66 33.35 87.0 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.014 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.4 p-10 -101.26 -13.79 17.93 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.828 -1.395 . . . . 0.0 110.542 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.472 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.17 -7.2 68.16 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.676 -1.265 . . . . 0.0 110.835 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.586 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 99.9 mt-10 -118.5 142.15 47.87 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -101.84 134.32 42.7 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.149 0 O-C-N 120.916 -1.115 . . . . 0.0 110.833 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.533 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 92.3 m-20 -82.73 159.78 22.48 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.0 p90 -59.23 -39.85 84.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 0.0 109.646 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -62.84 -39.94 95.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.04 -1.037 . . . . 0.0 110.303 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.761 -1.212 . . . . 0.0 110.658 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.434 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 41.0 t80 -69.36 -39.97 77.76 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.297 -0.877 . . . . 0.0 112.364 -178.269 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.0 -30.05 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 111.515 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -73.38 -57.96 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 111.826 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.71 -40.02 88.27 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.834 -1.166 . . . . 0.0 112.435 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.434 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 18.4 m -68.33 -37.76 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.491 -1.381 . . . . 0.0 111.269 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.415 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -73.36 -23.68 60.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.185 -0.947 . . . . 0.0 110.696 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -55.66 8.71 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.215 -1.553 . . . . 0.0 108.761 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -59.96 -42.45 94.12 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.67 -0.644 . . . . 0.0 111.562 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.469 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 4.0 t -60.76 -49.63 76.73 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.845 -1.159 . . . . 0.0 110.516 -178.376 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.469 ' N ' ' CG2' ' B' ' 82' ' ' THR . 93.9 t -64.06 -37.62 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.012 -1.055 . . . . 0.0 109.854 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.14 -28.1 66.15 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.755 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.04 -39.97 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.771 -1.206 . . . . 0.0 110.078 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' B' ' 87' ' ' ASN . 0.6 OUTLIER -68.9 -36.45 78.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.107 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.586 ' N ' ' ND2' ' B' ' 86' ' ' ASN . 27.2 t-20 -59.99 -49.63 76.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.53 -179.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.498 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 54.7 m-85 -62.8 -50.7 69.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.905 -1.122 . . . . 0.0 110.263 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 96.4 m-85 -158.26 130.02 6.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.385 -0.822 . . . . 0.0 109.312 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -67.73 -156.53 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.99 -33.17 71.6 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.057 -1.027 . . . . 0.0 108.635 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -158.6 -20.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.479 -0.763 . . . . 0.0 110.133 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 117.946 -1.025 . . . . 0.0 109.087 -179.115 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.56 0.695 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -60.19 -41.49 93.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 110.162 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.34 94.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.104 -0.998 . . . . 0.0 109.451 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.13 -40.03 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . 0.566 ' HE1' ' CD2' ' A' ' 77' ' ' LEU . 0.0 OUTLIER -59.54 -31.43 69.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.686 -0.634 . . . . 0.0 110.062 -179.092 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -59.1 -37.53 77.37 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.039 -1.038 . . . . 0.0 108.305 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.458 ' O ' ' N ' ' C' ' 11' ' ' LYS . 4.7 ttmt -59.93 -48.83 80.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.494 -0.754 . . . . 0.0 109.173 179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.493 ' O ' ' N ' ' C' ' 12' ' ' GLN . 26.7 tp -60.43 -49.87 75.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.121 -0.987 . . . . 0.0 110.832 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -66.76 -40.22 88.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.819 -1.176 . . . . 0.0 109.091 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 91.4 p -72.77 -50.42 24.54 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.151 -0.968 . . . . 0.0 108.831 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.483 ' HZ3' ' CB ' ' C' ' 11' ' ' LYS . 0.1 OUTLIER -66.34 -44.41 83.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.375 -0.828 . . . . 0.0 108.976 179.45 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.493 ' N ' ' O ' ' C' ' 8' ' ' LEU . 57.0 tt0 . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.337 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.03 -41.46 92.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.378 -0.826 . . . . 0.0 110.131 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.42 94.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.974 -1.078 . . . . 0.0 109.384 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.15 -39.81 86.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . 0.585 ' HE1' ' CD2' ' B' ' 77' ' ' LEU . 0.0 OUTLIER -59.63 -31.44 69.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.601 -0.687 . . . . 0.0 110.042 -179.169 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -59.06 -37.39 76.94 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.957 -1.089 . . . . 0.0 108.375 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . 0.448 ' O ' ' N ' ' D' ' 11' ' ' LYS . 5.3 ttmt -59.94 -48.93 79.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.575 -0.703 . . . . 0.0 109.276 179.865 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . 0.466 ' O ' ' N ' ' D' ' 12' ' ' GLN . 25.8 tp -60.19 -49.99 75.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 0.0 110.767 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.9 -40.06 87.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.867 -1.146 . . . . 0.0 109.075 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p -73.02 -50.29 23.91 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.17 -0.956 . . . . 0.0 108.725 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.448 ' N ' ' O ' ' D' ' 7' ' ' LYS . 0.1 OUTLIER -66.18 -44.66 83.37 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.41 -0.806 . . . . 0.0 108.922 179.406 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.466 ' N ' ' O ' ' D' ' 8' ' ' LEU . 57.1 tt0 . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.279 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' ' OE2' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.865 0 N-CA-C 119.6 2.6 . . . . 0.0 119.6 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -108.0 1.0 22.18 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.403 -1.057 . . . . 0.0 109.252 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 6' ' ' THR . 43.9 mt-10 -66.72 -53.52 32.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 110.702 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.2 tp -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.342 -0.849 . . . . 0.0 110.341 -178.152 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -54.24 -48.63 70.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.046 -1.034 . . . . 0.0 109.18 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 21.7 p -64.6 -30.62 71.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.765 -0.585 . . . . 0.0 110.684 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -59.09 -49.9 76.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.355 -0.84 . . . . 0.0 110.87 -177.409 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.48 ' SD ' ' CD1' ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.99 -40.08 87.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.34 -1.475 . . . . 0.0 109.085 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.43 -39.93 92.61 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.667 0.746 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 7.8 p -67.76 -45.52 74.68 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.672 -0.643 . . . . 0.0 111.248 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 65.7 mt -59.99 -44.11 94.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 110.754 -178.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . 0.48 ' CD1' ' SD ' ' A' ' 8' ' ' MET . 51.2 mt -72.9 -30.95 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 111.64 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' OE1' ' B' ' 3' ' ' GLU . 0.4 OUTLIER -60.99 -39.82 91.12 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.253 -1.529 . . . . 0.0 108.854 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -35.45 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -59.96 -48.1 83.1 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.589 -1.319 . . . . 0.0 110.548 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -78.82 -22.88 45.53 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.646 -0.659 . . . . 0.0 112.043 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.38 -57.98 3.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.462 -1.399 . . . . 0.0 111.787 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -77.33 -28.57 53.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.161 -1.587 . . . . 0.0 111.401 -178.152 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.539 ' N ' ' CD2' ' A' ' 18' ' ' HIS . 68.2 m -67.12 -3.84 8.57 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.699 -1.251 . . . . 0.0 110.191 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.15 16.52 42.22 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -92.91 -79.22 0.4 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.293 -1.122 . . . . 0.0 109.427 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -107.34 -16.75 14.31 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.559 -0.713 . . . . 0.0 111.389 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -82.28 -159.99 26.5 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -88.92 169.86 11.2 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -53.96 -37.92 64.44 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.712 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -129.99 30.02 4.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.574 -1.329 . . . . 0.0 112.644 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -137.24 143.73 42.41 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.138 -1.601 . . . . 0.0 108.976 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.474 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.9 mm? -97.79 156.86 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.115 0.959 . . . . 0.0 111.214 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -131.04 162.47 29.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 75.5 tttt -46.38 -39.98 11.25 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.06 -1.025 . . . . 0.0 111.775 -179.713 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.34 -25.07 59.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.52 -1.363 . . . . 0.0 112.046 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 89.4 mt-10 -80.61 -34.1 35.35 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.356 -1.465 . . . . 0.0 111.499 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 pp -75.02 -35.26 61.97 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.796 -1.19 . . . . 0.0 109.743 179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.29 -40.92 92.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.047 -1.033 . . . . 0.0 111.267 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.65 -26.45 41.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.705 -1.247 . . . . 0.0 110.948 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.68 -38.92 92.95 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.993 -1.067 . . . . 0.0 111.231 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.33 -33.94 23.79 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -0.987 . . . . 0.0 112.901 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.518 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 2.6 pp0? -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.533 -1.354 . . . . 0.0 109.815 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.518 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 8.4 m -80.28 -50.01 10.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 111.678 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.446 ' OE2' ' O ' ' B' ' 1' ' ' GLY . 71.0 mm-40 -88.23 -56.62 3.25 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.267 -0.896 . . . . 0.0 111.977 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.64 73.55 1.62 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.147 -0.971 . . . . 0.0 109.763 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -82.64 -19.99 37.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.633 -0.667 . . . . 0.0 111.928 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.5 m -107.24 3.35 25.44 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.889 -1.132 . . . . 0.0 111.437 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.27 -85.74 0.61 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.076 -1.015 . . . . 0.0 109.103 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -63.9 135.05 56.23 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 20.9 p-10 -118.41 148.96 42.01 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 4.2 m -151.2 -36.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.662 -1.606 . . . . 0.0 106.662 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -83.71 -31.4 26.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.791 -0.568 . . . . 0.0 110.365 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -60.05 -41.79 93.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.204 -0.935 . . . . 0.0 110.861 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' C' ' 12' ' ' GLN . 97.6 m-20 -129.13 111.9 13.41 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 110.23 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.07 -39.93 87.77 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.27 87.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.433 -0.792 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 54.6 t -70.08 -56.99 9.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.979 . . . . 0.0 111.96 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 48.4 t0 -62.16 -39.94 94.33 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 120.513 -1.367 . . . . 0.0 110.834 -177.629 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -69.58 -39.93 77.04 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.303 -0.873 . . . . 0.0 111.385 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.8 mt -80.86 -53.73 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.206 -0.933 . . . . 0.0 110.438 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.9 tpt -60.12 -46.95 87.92 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.657 -0.652 . . . . 0.0 111.77 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.92 -36.68 78.27 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.727 -1.233 . . . . 0.0 109.783 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -87.58 -16.99 33.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.046 -1.034 . . . . 0.0 109.451 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.643 ' C ' ' H ' ' A' ' 63' ' ' GLU . 66.2 tp -86.69 -21.21 26.8 Favored 'General case' 0 N--CA 1.506 2.37 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 65' ' ' GLY . 35.4 t0 -89.78 48.61 1.61 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.643 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.9 pt-20 -40.7 -16.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 111.02 -2.809 . . . . 0.0 110.638 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 62' ' ' ASP . 23.8 m120 -87.47 4.9 41.55 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 54.52 38.62 63.58 Favored Glycine 0 N--CA 1.494 2.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.777 178.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.2 p30 -104.2 -10.49 17.87 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.909 -1.348 . . . . 0.0 110.679 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.05 -6.63 66.24 Favored Glycine 0 N--CA 1.502 3.06 0 O-C-N 120.649 -1.282 . . . . 0.0 110.861 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.5 mt-10 -120.31 143.4 48.38 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -103.04 132.71 48.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.115 -0.991 . . . . 0.0 111.758 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.05 155.2 27.68 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -59.98 -39.96 87.49 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.861 -1.149 . . . . 0.0 109.57 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.4 -39.73 88.43 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.207 -0.933 . . . . 0.0 111.155 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.44 -40.05 81.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.482 -1.386 . . . . 0.0 110.548 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.82 -49.89 68.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.398 -0.814 . . . . 0.0 111.913 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -60.1 -38.03 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.147 -0.97 . . . . 0.0 112.046 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.19 -60.03 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.876 -1.14 . . . . 0.0 111.889 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . 0.566 ' CD2' ' HE1' ' C' ' 5' ' ' TRP . 1.0 OUTLIER -69.42 -44.7 70.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.153 -0.967 . . . . 0.0 111.565 -176.853 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.78 -39.97 86.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.066 -1.021 . . . . 0.0 111.056 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.42 -23.3 62.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.95 -26.99 64.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.748 . . . . 0.0 110.402 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 27.5 mt -86.47 -40.6 15.15 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 -178.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -45.15 90.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.487 -1.383 . . . . 0.0 109.104 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.454 ' CG1' ' N ' ' A' ' 84' ' ' ALA . 9.8 p -70.27 -43.25 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.481 -0.762 . . . . 0.0 110.252 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.454 ' N ' ' CG1' ' A' ' 83' ' ' VAL . . . -61.99 -32.92 73.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.413 -0.805 . . . . 0.0 110.407 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.372 -0.83 . . . . 0.0 109.236 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.06 -39.41 85.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.5 -0.75 . . . . 0.0 109.443 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.03 -40.24 88.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.677 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -81.34 -9.77 59.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.151 -0.968 . . . . 0.0 109.686 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 58.39 102.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.544 0.688 . . . . 0.0 109.46 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -57.02 -22.31 37.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.486 -0.759 . . . . 0.0 109.377 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -60.02 -25.6 65.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.0 109.358 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -80.06 -4.0 50.93 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.305 -1.349 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.076 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . 0.446 ' O ' ' OE2' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.966 0 N-CA-C 119.534 2.574 . . . . 0.0 119.534 . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -107.6 0.75 22.78 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.395 -1.062 . . . . 0.0 109.153 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.483 ' O ' ' OG1' ' B' ' 6' ' ' THR . 43.6 mt-10 -66.42 -53.71 32.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.0 110.69 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 16.2 tp -60.05 -39.97 87.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.244 -0.91 . . . . 0.0 110.513 -178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.42 -48.19 71.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.082 . . . . 0.0 109.069 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 20.9 p -65.13 -29.5 70.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.68 -0.638 . . . . 0.0 110.517 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.476 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.99 -49.51 77.38 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.742 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.458 ' SD ' ' CD1' ' B' ' 12' ' ' ILE . 0.0 OUTLIER -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.578 -1.326 . . . . 0.0 108.981 -179.695 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.45 -39.98 92.82 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.718 0.77 . . . . 0.0 110.235 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.476 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 7.8 p -67.63 -45.65 74.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.646 -0.659 . . . . 0.0 111.265 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 61.4 mt -59.83 -44.34 94.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.857 . . . . 0.0 110.936 -178.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . 0.458 ' CD1' ' SD ' ' B' ' 8' ' ' MET . 51.1 mt -71.8 -32.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.202 -0.936 . . . . 0.0 111.418 -178.012 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' OE1' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 120.57 -1.331 . . . . 0.0 108.551 -179.243 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -79.91 -35.35 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.367 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -60.1 -47.88 84.06 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.569 -1.332 . . . . 0.0 110.483 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -79.05 -22.78 44.87 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.67 -0.644 . . . . 0.0 111.929 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.46 -58.1 3.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.459 -1.401 . . . . 0.0 111.723 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' B' ' 19' ' ' SER . 0.3 OUTLIER -77.12 -28.85 54.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.142 -1.599 . . . . 0.0 111.456 -178.33 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.543 ' N ' ' CD2' ' B' ' 18' ' ' HIS . 69.8 m -66.98 -3.63 7.61 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.749 -1.219 . . . . 0.0 110.184 -178.746 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.2 16.36 42.21 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -92.78 -79.28 0.4 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.321 -1.105 . . . . 0.0 109.49 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -107.35 -16.53 14.36 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.512 -0.743 . . . . 0.0 111.291 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.588 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -82.43 -159.94 26.76 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -88.67 169.96 11.23 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -54.2 -37.85 65.0 Favored 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.734 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -130.12 30.18 4.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.546 -1.346 . . . . 0.0 112.608 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -137.06 143.87 42.86 Favored 'General case' 0 N--CA 1.51 2.532 0 O-C-N 120.272 -1.518 . . . . 0.0 108.954 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -98.02 156.66 16.53 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.074 0.94 . . . . 0.0 111.218 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -130.85 162.12 30.31 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 76.7 tttt -45.87 -39.99 9.35 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.076 -1.015 . . . . 0.0 111.767 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.78 -24.72 58.71 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.451 -1.406 . . . . 0.0 112.018 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.588 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 90.7 mt-10 -80.66 -33.98 35.16 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.384 -1.448 . . . . 0.0 111.509 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.0 pp -75.03 -35.53 61.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.819 -1.176 . . . . 0.0 109.73 179.453 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.13 -40.81 91.06 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.062 -1.024 . . . . 0.0 111.305 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 54.1 t0 -79.8 -26.24 40.62 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.766 -1.209 . . . . 0.0 110.863 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.409 ' HB2' ' CE1' ' B' ' 18' ' ' HIS . 62.3 tp -63.94 -38.78 92.34 Favored 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.042 -1.037 . . . . 0.0 111.313 -178.701 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -84.26 -34.48 23.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.012 -1.055 . . . . 0.0 112.8 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.521 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 2.6 pp0? -69.39 -29.88 67.73 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.494 -1.379 . . . . 0.0 109.766 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.521 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 8.9 m -80.31 -50.13 10.6 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.663 -0.648 . . . . 0.0 111.684 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.452 ' OE2' ' O ' ' A' ' 1' ' ' GLY . 70.5 mm-40 -88.23 -56.75 3.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 111.936 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -100.41 73.74 1.68 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.139 -0.975 . . . . 0.0 109.797 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -82.86 -19.82 36.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.637 -0.664 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -107.52 3.81 25.4 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.951 -1.093 . . . . 0.0 111.344 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.43 -85.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.111 -0.993 . . . . 0.0 109.056 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -63.79 135.12 56.38 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 20.9 p-10 -118.57 148.91 42.18 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 4.1 m -151.27 -36.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -83.4 -31.45 26.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.643 -0.661 . . . . 0.0 110.297 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -60.06 -41.65 92.83 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.251 -0.905 . . . . 0.0 110.774 -177.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -129.49 111.55 12.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.392 -0.818 . . . . 0.0 110.21 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -28.86 69.86 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -59.99 -40.05 87.83 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.97 81.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.595 -0.691 . . . . 0.0 111.314 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 48.2 t -71.99 -56.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 111.814 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 48.9 t0 -62.2 -40.04 94.75 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.567 -1.333 . . . . 0.0 110.709 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.58 -39.85 77.06 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.359 -0.838 . . . . 0.0 111.456 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.546 ' O ' ' N ' ' B' ' 61' ' ' LEU . 83.1 mt -80.83 -53.96 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.174 -0.954 . . . . 0.0 110.452 -177.543 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.0 tpt -59.98 -46.47 89.34 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.666 -0.646 . . . . 0.0 111.777 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.37 -36.46 76.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.648 -1.282 . . . . 0.0 109.848 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -87.66 -17.13 32.53 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.647 ' C ' ' H ' ' B' ' 63' ' ' GLU . 65.9 tp -86.49 -21.61 26.9 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' B' ' 65' ' ' GLY . 35.3 t0 -89.51 48.83 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.647 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.9 pt-20 -40.91 -16.78 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 110.912 -2.858 . . . . 0.0 110.636 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 62' ' ' ASP . 24.1 m120 -87.38 4.88 41.36 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 55.14 37.11 62.95 Favored Glycine 0 N--CA 1.494 2.554 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.854 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -103.06 -10.56 18.8 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.872 -1.369 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 81.67 -6.06 67.0 Favored Glycine 0 N--CA 1.499 2.839 0 O-C-N 120.68 -1.262 . . . . 0.0 110.682 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.59 142.82 49.03 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.49 132.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 O-C-N 120.981 -1.074 . . . . 0.0 112.122 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -80.08 155.16 27.66 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -59.9 -40.17 87.89 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.782 -1.199 . . . . 0.0 109.477 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.42 -39.69 88.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.262 -0.899 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.53 -39.91 80.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.477 -1.389 . . . . 0.0 110.65 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -64.74 -50.03 68.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.401 -0.812 . . . . 0.0 111.728 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -59.95 -38.27 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.116 -0.99 . . . . 0.0 112.124 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.06 -60.17 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.853 -1.154 . . . . 0.0 111.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . 0.585 ' CD2' ' HE1' ' D' ' 5' ' ' TRP . 1.1 tm? -69.2 -44.78 71.43 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.077 -1.015 . . . . 0.0 111.473 -176.64 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t -65.62 -39.97 86.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.195 -0.941 . . . . 0.0 111.33 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.31 -23.36 62.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -21.28 61.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.516 -0.74 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.6 mt -91.39 -39.99 11.69 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.746 -1.221 . . . . 0.0 111.035 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -64.1 -44.66 91.62 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 118.15 -1.42 . . . . 0.0 109.016 -179.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.466 ' CG1' ' N ' ' B' ' 84' ' ' ALA . 9.8 p -70.65 -43.65 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.412 -0.805 . . . . 0.0 110.138 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.466 ' N ' ' CG1' ' B' ' 83' ' ' VAL . . . -61.62 -33.05 73.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 110.307 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.4 t -61.85 -39.85 93.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.226 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.87 -39.59 85.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.453 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.01 -40.07 87.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 109.66 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -81.6 -9.65 59.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 109.724 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 58.42 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.53 0.681 . . . . 0.0 109.396 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -57.18 -22.15 38.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.536 -0.727 . . . . 0.0 109.393 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.99 -25.65 65.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.389 -0.819 . . . . 0.0 109.358 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.01 -4.2 51.61 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--N 1.303 -1.426 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.116 -179.734 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 39.8 tttm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -60.05 -37.52 80.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.612 -0.68 . . . . 0.0 109.788 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.33 -40.52 82.33 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 109.673 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.29 -40.04 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.014 . . . . 0.0 109.471 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -41.59 92.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 0.0 109.624 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -59.9 -40.0 87.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 110.495 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.41 ' CB ' ' HZ3' ' C' ' 7' ' ' LYS . 7.4 ttpm? -60.01 -49.89 75.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.0 110.161 -179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 38.6 tp -60.06 -50.04 75.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 0.0 110.999 -179.289 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 42.6 mt -68.84 -39.93 79.7 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.149 -0.969 . . . . 0.0 109.558 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 36.8 t -63.11 -40.67 98.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.031 -1.043 . . . . 0.0 110.031 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -64.98 -40.24 94.68 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.032 -1.042 . . . . 0.0 109.68 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.43 ' NE2' ' C ' ' C' ' 12' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 120.978 -1.076 . . . . 0.0 109.478 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.437 ' H2 ' ' H ' ' D' ' 2' ' ' LYS . 39.9 tttm . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.437 ' H ' ' H2 ' ' D' ' 1' ' ' LYS . 50.3 mtmt -60.07 -37.53 80.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.645 -0.66 . . . . 0.0 109.824 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.34 82.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.167 -0.958 . . . . 0.0 109.575 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.33 -39.99 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.148 -0.97 . . . . 0.0 109.481 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -60.12 -41.34 92.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.894 . . . . 0.0 109.561 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -59.99 -40.05 87.87 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.192 -0.943 . . . . 0.0 110.386 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . 0.536 ' HZ2' ' CB ' ' D' ' 7' ' ' LYS . 7.3 ttpm? -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.027 -1.045 . . . . 0.0 110.017 -179.137 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 42.2 tp -60.08 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 0.0 111.0 -179.188 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.73 -40.02 80.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.0 109.508 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 38.3 t -63.12 -40.52 97.85 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 0.0 110.119 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.08 -40.11 94.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.956 -1.09 . . . . 0.0 109.654 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.439 ' NE2' ' C ' ' D' ' 12' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.001 -1.062 . . . . 0.0 109.456 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.89 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -107.33 -1.29 21.79 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.533 -0.98 . . . . 0.0 108.686 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -68.84 -53.15 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.495 -0.753 . . . . 0.0 109.941 -179.664 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.3 tp -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-O 121.524 0.678 . . . . 0.0 110.129 -179.078 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -56.56 -48.43 77.34 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.376 1.084 . . . . 0.0 108.897 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.17 -26.01 67.98 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.806 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -59.32 -48.61 80.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.026 -1.046 . . . . 0.0 109.779 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttt -60.01 -40.01 87.81 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.253 -0.905 . . . . 0.0 110.09 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.99 -39.97 94.04 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.335 -0.853 . . . . 0.0 110.501 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.421 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 17.3 p -71.61 -45.58 61.71 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.402 0.62 . . . . 0.0 112.152 -177.214 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.41 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 54.3 mt -59.96 -42.2 93.59 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.535 -0.728 . . . . 0.0 111.806 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -80.28 -27.27 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.082 -1.011 . . . . 0.0 111.479 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.27 85.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.289 -1.507 . . . . 0.0 108.351 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 17.3 m -78.68 -35.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.324 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 17.8 m-30 -60.04 -51.04 71.32 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.942 -1.099 . . . . 0.0 110.964 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -79.19 -26.5 42.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.477 -0.765 . . . . 0.0 111.921 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.04 2.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.388 -1.445 . . . . 0.0 110.539 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.1 m80 -66.54 -38.27 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.849 -1.157 . . . . 0.0 110.472 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 t -64.9 -12.57 50.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.097 -1.002 . . . . 0.0 111.768 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.71 14.58 60.36 Favored Glycine 0 N--CA 1.498 2.818 0 O-C-N 121.267 -0.895 . . . . 0.0 111.005 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -89.03 -65.68 1.0 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.385 . . . . 0.0 109.229 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -121.4 -5.14 9.35 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.295 -0.878 . . . . 0.0 110.402 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.571 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -78.19 -171.16 37.7 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' LYS . 95.7 m-20 -96.46 175.63 6.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.554 -0.968 . . . . 0.0 108.928 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' ASP . 63.3 mttp -39.75 103.72 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 122.048 0.928 . . . . 0.0 110.414 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 40.22 65.79 0.7 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.921 0.867 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.3 144.85 30.98 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.428 ' N ' ' CD2' ' A' ' 28' ' ' LEU . 4.2 mm? -96.38 149.34 21.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.789 -1.194 . . . . 0.0 110.284 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.406 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 56.4 m -124.5 160.77 27.54 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -48.83 -44.54 39.52 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.557 -1.34 . . . . 0.0 110.657 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -68.14 -28.97 67.77 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.546 -1.346 . . . . 0.0 111.594 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.571 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 85.1 mt-10 -78.36 -36.25 46.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.674 -1.266 . . . . 0.0 108.725 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 64.4 tp -60.0 -49.99 75.5 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.712 -0.618 . . . . 0.0 112.232 -179.451 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HZ1' ' HA ' ' A' ' 54' ' ' VAL . 18.0 mmtt -67.63 -41.76 83.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.82 -1.175 . . . . 0.0 112.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.06 -30.01 69.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 108.723 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.427 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 48.0 tp -60.02 -39.33 85.45 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 41' ' ' LEU . 57.6 mt -83.04 -41.6 18.46 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 120.231 -1.543 . . . . 0.0 112.12 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.06 -16.21 53.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.727 -1.233 . . . . 0.0 111.348 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.2 m -90.36 -28.48 18.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.416 -1.427 . . . . 0.0 109.369 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mp0 -109.86 -39.46 5.07 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mt -102.22 136.18 42.52 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.284 1.04 . . . . 0.0 108.447 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.0 m -50.52 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.357 -0.84 . . . . 0.0 111.198 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 m -161.38 42.25 0.15 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 0.0 110.684 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.98 -40.0 48.39 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -94.85 128.73 41.81 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 175.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -98.26 146.69 25.39 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.131 -0.98 . . . . 0.0 109.218 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -151.0 -33.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -79.99 -68.53 0.66 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.361 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.624 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.01 -38.94 84.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.979 -1.075 . . . . 0.0 110.761 -178.766 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.06 90.24 5.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.613 -1.305 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.19 69.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.368 -0.832 . . . . 0.0 109.338 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.92 -38.4 82.22 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.93 -38.51 91.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.615 -0.678 . . . . 0.0 110.825 179.057 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.435 ' HA ' ' HZ1' ' A' ' 34' ' ' LYS . 67.4 t -69.37 -55.87 13.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.897 -1.127 . . . . 0.0 112.294 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.95 -39.97 90.93 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.631 -1.293 . . . . 0.0 110.819 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -69.25 -39.96 78.16 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.275 -0.89 . . . . 0.0 111.061 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.572 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -78.59 -54.18 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 110.466 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.9 tpt -59.99 -43.54 95.1 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.781 -0.574 . . . . 0.0 112.159 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -68.98 -36.17 77.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.798 -1.189 . . . . 0.0 110.083 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -92.14 -25.86 18.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.03 -1.044 . . . . 0.0 109.724 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.649 ' C ' ' H ' ' A' ' 63' ' ' GLU . 64.1 tp -69.97 -36.08 74.94 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.573 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 8.2 t70 -76.7 54.53 0.98 Allowed 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 174.905 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.649 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.1 tp10 -48.69 -22.13 0.73 Allowed 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 111.395 -2.639 . . . . 0.0 110.448 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -85.13 -0.08 53.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.631 -1.293 . . . . 0.0 107.777 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.5 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.34 31.87 78.82 Favored Glycine 0 N--CA 1.495 2.617 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.912 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.573 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 9.7 p-10 -97.81 -12.35 22.31 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.897 -1.355 . . . . 0.0 109.842 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.533 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -6.03 75.49 Favored Glycine 0 N--CA 1.498 2.78 0 O-C-N 120.759 -1.213 . . . . 0.0 110.275 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.545 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.0 mt-10 -120.15 143.14 48.36 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -101.86 131.23 50.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 CA-C-O 122.168 0.985 . . . . 0.0 111.0 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.0 152.94 32.83 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.12 71.27 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.548 -1.345 . . . . 0.0 108.863 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.04 -39.95 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.428 -1.42 . . . . 0.0 109.652 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.454 ' C ' ' CD1' ' A' ' 74' ' ' PHE . 26.0 t80 -61.31 -40.06 92.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.729 -0.607 . . . . 0.0 112.345 -178.936 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 2.4 p -71.97 -32.98 46.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 O-C-N 121.131 -0.98 . . . . 0.0 110.88 -177.703 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.73 -59.62 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.09 -1.006 . . . . 0.0 112.106 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.47 -41.66 69.1 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.656 -1.277 . . . . 0.0 112.96 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 18.5 t -69.98 -40.18 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.491 -1.381 . . . . 0.0 110.906 -177.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.13 -25.57 59.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.325 -0.859 . . . . 0.0 108.809 179.612 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -31.32 71.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.465 -0.772 . . . . 0.0 110.214 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 79.1 mt -90.72 -29.0 17.94 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.144 -0.973 . . . . 0.0 110.49 -179.071 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.581 ' HG1' ' H ' ' A' ' 83' ' ' VAL . 37.1 p -60.82 -54.75 41.35 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.092 -1.005 . . . . 0.0 110.629 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.581 ' H ' ' HG1' ' A' ' 82' ' ' THR . 20.1 m -80.68 -33.28 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.768 -1.207 . . . . 0.0 111.031 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.998 -1.064 . . . . 0.0 110.764 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 82' ' ' THR . 22.2 p -68.84 -39.06 80.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.107 -0.995 . . . . 0.0 108.724 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.464 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 24.6 t-20 -59.88 -36.44 76.93 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.543 -0.723 . . . . 0.0 109.529 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -59.91 -40.52 89.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.692 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -66.05 -39.61 90.26 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.786 -1.196 . . . . 0.0 109.797 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' CD2' ' O ' ' A' ' 86' ' ' ASN . 56.6 m-85 54.06 99.88 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.155 -0.965 . . . . 0.0 109.978 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.564 ' C ' ' H ' ' A' ' 92' ' ' ASN . 95.8 m95 -59.98 148.38 35.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.197 -0.939 . . . . 0.0 108.986 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 18.8 pt-20 -69.27 22.1 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.317 -0.864 . . . . 0.0 110.12 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.564 ' H ' ' C ' ' A' ' 90' ' ' TRP . 36.6 t30 82.01 16.49 0.43 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.933 178.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.846 0 N-CA-C 119.491 2.556 . . . . 0.0 119.491 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -106.98 -1.35 22.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.566 -0.961 . . . . 0.0 108.785 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 71.1 mm-40 -68.78 -53.46 21.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.511 -0.743 . . . . 0.0 109.883 -179.713 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 18.8 tp -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.402 0.62 . . . . 0.0 109.967 -179.009 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -56.43 -48.58 76.71 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.415 1.102 . . . . 0.0 108.932 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -65.05 -25.47 67.83 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.641 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.438 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -60.01 -48.26 82.44 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.668 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.397 -0.814 . . . . 0.0 109.999 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.77 -40.03 93.72 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.973 0.892 . . . . 0.0 110.363 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.8 p -71.59 -45.57 61.8 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.419 0.628 . . . . 0.0 112.297 -177.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.436 ' H ' ' HG1' ' B' ' 10' ' ' THR . 50.5 mt -60.05 -41.52 92.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.715 . . . . 0.0 111.864 -178.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mt -79.91 -29.72 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.126 -0.984 . . . . 0.0 111.026 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.66 -38.95 79.25 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.518 -1.364 . . . . 0.0 108.127 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.2 -35.18 17.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.361 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 17.9 m-30 -60.02 -51.08 71.2 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.881 -1.137 . . . . 0.0 110.9 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -79.39 -26.09 42.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 111.958 -177.705 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.97 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.325 -1.485 . . . . 0.0 110.483 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . 0.529 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 76.5 m80 -66.56 -38.44 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.827 -1.171 . . . . 0.0 110.447 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -64.89 -12.08 44.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.232 -0.917 . . . . 0.0 111.756 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 13.9 60.23 Favored Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.299 -0.875 . . . . 0.0 111.006 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -88.24 -65.59 1.0 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.712 -1.463 . . . . 0.0 109.532 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -121.5 -5.18 9.29 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.303 -0.873 . . . . 0.0 110.332 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . 0.558 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -77.84 -170.65 35.81 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' B' ' 25' ' ' LYS . 95.8 m-20 -96.81 176.11 6.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -1.03 . . . . 0.0 108.82 179.384 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 24' ' ' ASP . 62.2 mttp -40.26 103.64 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.13 0.967 . . . . 0.0 110.416 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 40.2 66.1 0.66 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.818 0.818 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.54 144.89 30.79 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 176.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 4.2 mm? -96.34 149.07 22.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.747 -1.22 . . . . 0.0 110.331 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.416 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 55.2 m -124.23 160.62 27.54 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -48.84 -44.17 39.3 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.673 -1.267 . . . . 0.0 110.74 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.44 -27.67 65.45 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.545 -1.347 . . . . 0.0 111.382 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.558 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 85.6 mt-10 -78.47 -36.41 45.29 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 108.78 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.12 -50.02 75.33 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.591 -0.693 . . . . 0.0 112.122 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 18.2 mmtt -67.21 -41.96 84.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.821 -1.175 . . . . 0.0 111.978 -176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.432 ' O ' ' OG1' ' B' ' 39' ' ' THR . 13.3 t70 -68.23 -29.8 68.71 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.8 -1.187 . . . . 0.0 108.768 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.6 tp -60.11 -39.49 86.41 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.739 -0.6 . . . . 0.0 112.531 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 41' ' ' LEU . 57.5 mt -83.35 -39.8 20.27 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.279 -1.513 . . . . 0.0 112.594 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -82.74 -16.06 49.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.242 -1.536 . . . . 0.0 111.266 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 31.9 m -90.02 -28.64 18.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.547 -1.345 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.529 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 12.8 mp0 -109.83 -39.33 5.12 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 37' ' ' LEU . 1.8 mt -102.33 136.18 42.62 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 122.244 1.021 . . . . 0.0 108.472 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.9 m -50.37 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.919 0 O-C-N 121.392 -0.817 . . . . 0.0 111.033 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m -161.13 42.69 0.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 110.684 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -77.04 -39.98 48.06 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -95.07 128.26 41.76 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 176.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 34.0 p-10 -97.96 146.66 25.26 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 121.207 -0.933 . . . . 0.0 109.192 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.04 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.94 -68.45 0.67 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.197 -0.939 . . . . 0.0 110.38 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.611 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.08 -38.96 84.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.004 -1.06 . . . . 0.0 110.784 -178.795 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -95.07 90.12 5.81 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.68 -1.263 . . . . 0.0 109.628 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.2 -32.9 69.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.904 . . . . 0.0 109.49 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.96 -38.32 82.16 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.97 -36.06 82.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.593 -0.692 . . . . 0.0 111.245 179.236 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 63.9 t -71.04 -55.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.908 -1.12 . . . . 0.0 112.105 -178.577 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.93 -39.97 90.98 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.69 -1.256 . . . . 0.0 110.925 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -69.24 -40.06 78.11 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.271 -0.893 . . . . 0.0 111.029 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.563 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.4 mt -78.46 -54.19 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-O 121.753 0.787 . . . . 0.0 110.495 -176.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.1 tpt -59.99 -43.68 95.0 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.729 -0.607 . . . . 0.0 112.177 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.94 -35.87 77.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.859 -1.15 . . . . 0.0 110.183 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -92.48 -25.69 18.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 109.702 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.661 ' C ' ' H ' ' B' ' 63' ' ' GLU . 64.4 tp -69.99 -36.25 75.03 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.583 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 8.3 t70 -76.64 54.62 0.97 Allowed 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.661 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.2 tp10 -48.65 -22.28 0.75 Allowed 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 111.285 -2.689 . . . . 0.0 110.327 -177.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -85.18 0.01 53.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.623 -1.298 . . . . 0.0 107.806 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.23 32.0 79.07 Favored Glycine 0 N--CA 1.495 2.625 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.921 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.583 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 9.6 p-10 -97.61 -12.91 21.94 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.997 -1.296 . . . . 0.0 109.725 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.544 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.97 -5.86 77.52 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.0 mt-10 -120.26 142.94 48.6 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -101.28 131.09 49.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 CA-C-O 122.275 1.036 . . . . 0.0 111.137 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.85 152.81 33.2 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -36.25 71.4 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.527 -1.358 . . . . 0.0 108.91 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.05 -39.94 87.73 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.195 -0.941 . . . . 0.0 110.892 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.6 -39.93 80.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.449 -1.407 . . . . 0.0 109.633 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 26.3 t80 -61.4 -39.97 92.68 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.727 -0.608 . . . . 0.0 112.439 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.0 p -71.6 -33.84 50.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 121.131 -0.981 . . . . 0.0 110.944 -177.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.2 -59.82 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 111.977 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.18 -41.8 69.86 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.664 -1.273 . . . . 0.0 112.98 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.2 t -70.12 -40.05 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.487 -1.383 . . . . 0.0 110.934 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.8 -25.95 60.37 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.865 179.598 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.56 -23.72 67.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.514 -0.742 . . . . 0.0 111.067 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 79.0 mt -96.04 -28.98 14.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.002 -1.061 . . . . 0.0 109.783 179.079 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 35.3 p -61.01 -54.52 43.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.351 -0.843 . . . . 0.0 110.558 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.04 -33.56 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.839 -1.163 . . . . 0.0 110.916 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.044 -1.035 . . . . 0.0 110.826 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 82' ' ' THR . 23.0 p -68.87 -38.9 80.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.025 -1.047 . . . . 0.0 108.678 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 24.5 t-20 -59.92 -36.39 76.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.568 -0.708 . . . . 0.0 109.487 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -60.09 -40.38 89.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.566 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -66.1 -39.47 90.0 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.716 -1.24 . . . . 0.0 109.827 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' B' ' 86' ' ' ASN . 56.9 m-85 53.81 99.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.185 -0.947 . . . . 0.0 110.052 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.574 ' C ' ' H ' ' B' ' 92' ' ' ASN . 95.8 m95 -60.04 148.42 35.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 108.966 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' B' ' 92' ' ' ASN . 19.0 pt-20 -69.3 22.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.255 -0.903 . . . . 0.0 110.091 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.574 ' H ' ' C ' ' B' ' 90' ' ' TRP . 36.5 t30 82.07 16.6 0.42 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.306 -1.315 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.972 178.956 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -59.98 -35.94 76.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.396 -0.815 . . . . 0.0 109.835 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.92 91.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.294 -0.879 . . . . 0.0 109.504 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.13 -47.63 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.055 -1.028 . . . . 0.0 108.246 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . 0.514 ' HE1' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -60.4 -39.98 89.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.49 -0.756 . . . . 0.0 109.232 179.551 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . 0.428 ' O ' ' N ' ' C' ' 10' ' ' SER . 82.6 t60 -60.0 -41.85 93.01 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.045 -1.034 . . . . 0.0 109.362 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.428 ' HZ3' ' C ' ' A' ' 52' ' ' ASP . 10.4 tmtt? -60.07 -49.92 75.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.142 -0.974 . . . . 0.0 110.246 179.887 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.425 ' CD1' HE21 ' C' ' 12' ' ' GLN . 59.6 tp -63.92 -50.05 70.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.104 -0.998 . . . . 0.0 110.314 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.9 mp -69.98 -39.96 75.64 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.63 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' SER . . . . . 0.428 ' N ' ' O ' ' C' ' 6' ' ' HIS . 44.2 t -60.67 -44.59 96.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.959 -1.088 . . . . 0.0 109.532 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -68.67 -39.96 80.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.284 -0.885 . . . . 0.0 109.064 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.427 ' OXT' ' O ' ' C' ' 9' ' ' LEU . 5.9 pt20 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.425 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -60.08 -35.93 76.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.0 109.723 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.93 91.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.057 -1.027 . . . . 0.0 109.452 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.21 -47.48 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.935 -1.103 . . . . 0.0 108.293 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . 0.519 ' HE1' ' CD2' ' B' ' 81' ' ' LEU . 0.0 OUTLIER -60.63 -39.93 90.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.468 -0.77 . . . . 0.0 109.199 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . 0.419 ' O ' ' CB ' ' D' ' 10' ' ' SER . 83.2 t60 -60.0 -41.88 93.06 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.05 -1.031 . . . . 0.0 109.417 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . 0.414 ' CD1' HE21 ' D' ' 12' ' ' GLN . 61.1 tp -63.89 -49.95 70.67 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.029 -1.044 . . . . 0.0 110.312 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.4 mp -70.04 -39.96 75.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' D' ' 6' ' ' HIS . 45.1 t -60.64 -44.55 96.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.936 -1.102 . . . . 0.0 109.498 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -68.65 -39.93 80.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.302 -0.874 . . . . 0.0 109.0 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.418 ' OXT' ' O ' ' D' ' 9' ' ' LEU . 6.1 pt20 . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.444 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.899 0 N-CA-C 119.239 2.456 . . . . 0.0 119.239 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -108.15 -0.44 21.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.461 -1.023 . . . . 0.0 109.24 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.472 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.6 mp0 -64.07 -53.06 55.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.311 -0.868 . . . . 0.0 110.469 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 15.4 tp -59.63 -39.04 83.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.461 -0.774 . . . . 0.0 110.476 -176.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -54.92 -48.81 72.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.199 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 39.9 p -64.35 -33.81 76.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.757 -0.589 . . . . 0.0 110.623 -179.494 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.454 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.77 -49.48 70.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -177.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.446 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 12.6 ttt -59.89 -39.75 86.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.592 -1.317 . . . . 0.0 109.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.51 -39.91 89.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.773 . . . . 0.0 110.329 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 23.1 p -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.642 -0.661 . . . . 0.0 111.914 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 69.5 mt -60.03 -40.07 88.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.873 -178.689 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.08 -29.83 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.426 -0.796 . . . . 0.0 111.567 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.55 -39.99 93.1 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.381 -1.449 . . . . 0.0 108.605 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.1 m -82.06 -36.81 14.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.379 -179.111 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -59.92 -50.23 74.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 0.0 111.133 -178.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -74.99 -24.16 58.38 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.726 -0.609 . . . . 0.0 110.766 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 -59.39 2.81 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.787 -1.195 . . . . 0.0 110.98 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.52 -39.96 77.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.377 -1.452 . . . . 0.0 111.318 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.15 -16.5 64.36 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.973 -1.08 . . . . 0.0 111.477 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.14 12.0 70.77 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -85.95 -63.64 1.29 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.657 -1.496 . . . . 0.0 107.28 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -119.0 84.23 2.16 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.62 178.53 36.59 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.16 -1.495 . . . . 0.0 111.03 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -99.24 -41.59 7.41 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.082 0.944 . . . . 0.0 109.17 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -170.0 92.54 0.22 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 43.72 25.96 0.11 Allowed 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.066 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -94.47 141.56 28.45 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.79 158.6 15.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.834 -1.167 . . . . 0.0 110.591 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.508 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.0 t -130.75 163.82 26.45 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -46.89 -39.93 13.11 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.099 -1.001 . . . . 0.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -81.66 -26.26 34.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.569 -1.332 . . . . 0.0 112.365 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.508 ' HB2' ' H ' ' A' ' 29' ' ' SER . 35.9 mt-10 -76.79 -31.42 56.98 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.355 -1.465 . . . . 0.0 110.275 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.47 -34.15 25.45 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.017 -1.052 . . . . 0.0 110.228 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -61.78 -40.98 97.09 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.025 -1.047 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -78.28 -31.45 48.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.197 -0.94 . . . . 0.0 110.144 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -64.53 -39.81 94.44 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.419 -0.801 . . . . 0.0 112.642 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -82.94 -39.02 21.98 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.859 -1.15 . . . . 0.0 112.657 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.3 pt20 -67.51 -40.0 85.14 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.82 -1.175 . . . . 0.0 110.339 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 20.9 m -81.89 -65.12 1.05 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.724 0.773 . . . . 0.0 112.161 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.97 -40.68 75.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.92 34.57 2.25 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 120.802 -1.186 . . . . 0.0 110.493 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 43' ' ' SER . 43.2 m -50.8 133.73 25.98 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 157.19 -47.66 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 CA-C-N 119.068 0.849 . . . . 0.0 110.679 179.275 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . 0.592 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 67.4 t80 -160.96 -34.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 110.76 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.472 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 mm? -58.91 129.51 42.51 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -111.14 144.34 40.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.822 -1.174 . . . . 0.0 108.484 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 1.9 m -152.43 -30.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 38' ' ' GLN . 69.0 mm-40 -80.01 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.864 -1.147 . . . . 0.0 111.338 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.86 -31.13 70.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 0.0 110.983 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.32 91.35 6.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.928 -1.108 . . . . 0.0 109.739 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.84 77.04 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.785 . . . . 0.0 109.344 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.428 ' C ' ' HZ3' ' C' ' 7' ' ' LYS . 98.0 m-20 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.89 94.24 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.518 -0.738 . . . . 0.0 111.716 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 96.9 t -69.5 -56.32 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.809 -1.182 . . . . 0.0 111.974 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.08 -40.0 95.28 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.534 -1.354 . . . . 0.0 110.723 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.7 -39.97 73.13 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.225 -0.922 . . . . 0.0 111.805 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.5 mt -76.98 -54.72 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.097 -1.002 . . . . 0.0 109.847 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.425 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 5.5 tpt -60.02 -47.3 86.39 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.54 -0.725 . . . . 0.0 111.464 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.18 -39.94 90.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.153 -0.967 . . . . 0.0 110.138 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.99 -16.58 33.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.092 -1.005 . . . . 0.0 109.538 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.6 ' C ' ' H ' ' A' ' 63' ' ' GLU . 63.7 tp -85.2 -18.57 33.66 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 65' ' ' GLY . 17.0 t0 -91.26 45.93 1.27 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.6 ' H ' ' C ' ' A' ' 61' ' ' LEU . 51.1 tp10 -39.71 -19.58 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.511 -2.586 . . . . 0.0 110.53 -178.103 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 62' ' ' ASP . 28.5 m120 -87.67 1.28 54.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.637 -1.289 . . . . 0.0 108.233 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.18 36.02 91.74 Favored Glycine 0 N--CA 1.495 2.579 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.742 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 4.0 p30 -101.61 -14.08 17.57 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.836 -1.391 . . . . 0.0 110.585 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.535 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.75 -5.04 76.82 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 120.665 -1.272 . . . . 0.0 110.859 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.8 mt-10 -123.18 143.74 49.82 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 62.6 t -107.72 129.04 62.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.223 -0.923 . . . . 0.0 110.071 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -80.43 166.28 21.4 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.7 p90 -59.97 -36.51 77.29 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.092 -1.005 . . . . 0.0 111.009 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.412 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 61.9 tt0 -61.7 -41.84 98.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.492 -1.38 . . . . 0.0 110.811 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.04 -39.99 75.41 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.809 -1.182 . . . . 0.0 111.063 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.411 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 64.9 t80 -67.21 -39.96 86.36 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.242 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -74.86 -31.82 26.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.37 -0.831 . . . . 0.0 111.047 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.04 -58.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.38 -0.825 . . . . 0.0 111.902 -177.713 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.51 -39.91 81.06 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.968 -1.083 . . . . 0.0 113.107 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.421 ' CG2' ' N ' ' A' ' 79' ' ' ALA . 15.2 m -66.2 -38.49 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.816 -1.178 . . . . 0.0 110.742 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.421 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -75.11 -27.26 59.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.56 -0.712 . . . . 0.0 110.943 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.03 65.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.563 -1.336 . . . . 0.0 108.421 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.514 ' CD2' ' HE1' ' C' ' 5' ' ' TRP . 48.1 mt -65.0 -34.68 79.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.707 -0.62 . . . . 0.0 110.213 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.2 m -60.42 -55.04 38.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.322 -0.861 . . . . 0.0 111.442 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 45.4 t -73.43 -39.78 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.101 -1.0 . . . . 0.0 110.876 -179.245 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.98 84.28 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.383 0.611 . . . . 0.0 110.209 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.592 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 52.2 t -63.06 -40.07 96.6 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.85 . . . . 0.0 109.704 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.95 -40.24 88.33 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.426 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 95.2 m-20 -60.34 -41.86 94.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.94 -1.1 . . . . 0.0 110.353 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -70.02 -29.63 66.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.154 -0.966 . . . . 0.0 110.432 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 85.2 m-85 59.65 29.56 19.13 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -178.259 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.674 -0.642 . . . . 0.0 110.557 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -57.54 -37.9 73.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.156 -0.965 . . . . 0.0 110.058 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -93.02 -12.15 31.33 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.807 -1.183 . . . . 0.0 109.389 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.486 -179.417 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.909 0 N-CA-C 119.448 2.539 . . . . 0.0 119.448 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -108.18 -0.52 20.94 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.506 -0.997 . . . . 0.0 109.27 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.52 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.6 mp0 -63.97 -52.73 58.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.325 -0.86 . . . . 0.0 110.532 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 17.7 tp -60.0 -39.36 85.53 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.672 -0.643 . . . . 0.0 110.323 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.47 -49.17 70.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.073 -1.017 . . . . 0.0 109.269 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.448 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 39.8 p -64.43 -32.56 74.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.683 -0.636 . . . . 0.0 110.536 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.481 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -55.93 -48.74 75.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.376 -0.828 . . . . 0.0 110.381 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.2 ttt -59.97 -39.94 87.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.91 -1.119 . . . . 0.0 109.145 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.18 -40.06 88.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.552 -0.717 . . . . 0.0 110.127 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.482 ' HG1' ' H ' ' B' ' 11' ' ' LEU . 22.5 p -70.59 -46.46 63.38 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.541 -0.725 . . . . 0.0 111.859 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . 0.482 ' H ' ' HG1' ' B' ' 10' ' ' THR . 67.8 mt -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 0.0 110.874 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.02 -32.12 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 111.102 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.15 -39.92 88.05 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.567 -1.333 . . . . 0.0 108.542 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 33.3 m -82.12 -36.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.413 -179.146 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -60.0 -50.35 74.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.152 -0.967 . . . . 0.0 111.134 -178.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -74.96 -24.18 58.41 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.728 -0.607 . . . . 0.0 110.623 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.69 -59.74 2.65 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.841 -1.162 . . . . 0.0 111.077 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.31 -40.03 77.89 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.404 -1.435 . . . . 0.0 111.413 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.12 -16.58 64.41 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.949 -1.095 . . . . 0.0 111.499 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.29 12.27 70.06 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -86.01 -63.98 1.23 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.428 . . . . 0.0 107.269 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -118.97 84.7 2.24 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.14 178.24 37.16 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.106 -1.521 . . . . 0.0 110.977 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -98.89 -41.57 7.55 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 122.009 0.909 . . . . 0.0 109.288 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -170.0 92.77 0.22 Allowed 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 43.45 26.0 0.09 Allowed 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.189 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.2 tppt? -94.29 141.55 28.44 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 177.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.85 158.16 15.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.743 -1.223 . . . . 0.0 110.708 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.528 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.0 t -130.33 163.72 26.22 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -46.92 -39.96 13.28 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.052 -1.03 . . . . 0.0 110.707 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -81.64 -26.16 35.04 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.659 -1.275 . . . . 0.0 112.232 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.528 ' HB2' ' H ' ' B' ' 29' ' ' SER . 36.0 mt-10 -76.91 -31.51 56.76 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.222 -1.549 . . . . 0.0 110.296 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.32 -33.76 25.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.926 -1.109 . . . . 0.0 110.306 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.37 -41.06 98.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.064 -1.022 . . . . 0.0 110.071 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.12 -31.37 49.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.216 -0.927 . . . . 0.0 110.137 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.86 -39.3 93.33 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.453 -0.78 . . . . 0.0 112.693 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -83.25 -39.27 21.11 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.789 -1.194 . . . . 0.0 112.552 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' B' ' 39' ' ' THR . 12.7 pt20 -67.23 -40.01 86.28 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.773 -1.204 . . . . 0.0 110.338 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 20.3 m -81.82 -65.12 1.05 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.774 0.797 . . . . 0.0 112.152 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.01 -40.47 75.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 34.24 2.36 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.778 -1.201 . . . . 0.0 110.406 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 53.3 m -50.77 133.95 25.61 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 156.84 -48.18 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 119.077 0.853 . . . . 0.0 110.641 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . 0.595 ' CD1' ' SG ' ' B' ' 85' ' ' CYS . 68.5 t80 -160.16 -35.2 0.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.737 -1.227 . . . . 0.0 110.686 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.475 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.7 mm? -58.55 129.13 40.59 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -110.87 144.3 40.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.805 -1.184 . . . . 0.0 108.521 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 1.6 m -152.42 -30.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.44 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 67.8 mm-40 -79.98 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 111.39 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.905 . . . . 0.0 111.018 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -94.19 91.46 6.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.906 -1.121 . . . . 0.0 109.623 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.62 76.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.308 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -59.95 -38.9 83.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.257 -0.902 . . . . 0.0 108.67 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.23 86.57 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.531 -0.731 . . . . 0.0 112.078 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 99.5 t -71.25 -56.71 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.79 -1.194 . . . . 0.0 111.72 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -63.71 -40.06 95.83 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.651 -1.281 . . . . 0.0 110.817 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.94 -39.95 72.32 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.174 -0.954 . . . . 0.0 111.633 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -76.81 -54.73 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.068 -1.02 . . . . 0.0 109.762 -177.707 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.431 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 5.2 tpt -59.95 -47.31 86.33 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.701 -0.624 . . . . 0.0 111.468 -178.543 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.44 -39.98 89.21 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.026 -1.046 . . . . 0.0 110.166 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -87.54 -16.84 33.49 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.204 -0.935 . . . . 0.0 109.523 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.585 ' C ' ' H ' ' B' ' 63' ' ' GLU . 61.4 tp -85.34 -18.38 33.99 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.642 ' O ' ' N ' ' B' ' 65' ' ' GLY . 17.0 t0 -91.35 45.81 1.26 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.585 ' H ' ' C ' ' B' ' 61' ' ' LEU . 51.2 tp10 -39.68 -19.53 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 111.602 -2.545 . . . . 0.0 110.511 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 62' ' ' ASP . 28.2 m120 -87.42 0.9 54.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.691 -1.256 . . . . 0.0 108.245 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.642 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 62.02 34.71 89.82 Favored Glycine 0 N--CA 1.493 2.492 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.871 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 4.0 p30 -100.97 -13.56 18.24 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.876 -1.367 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.26 -4.81 75.24 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 120.61 -1.306 . . . . 0.0 110.807 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.577 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.5 mt-10 -123.29 143.45 50.06 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.431 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 63.2 t -106.85 128.84 61.3 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 121.174 -0.954 . . . . 0.0 110.23 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.29 166.45 21.34 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.409 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 47.2 p90 -60.05 -36.51 77.47 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.042 -1.036 . . . . 0.0 110.969 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.409 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 60.7 tt0 -61.8 -41.59 97.93 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.444 -1.41 . . . . 0.0 110.815 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.25 -39.93 74.73 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.798 -1.189 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.419 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 64.8 t80 -67.05 -40.09 87.07 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.93 -31.86 26.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 O-C-N 121.412 -0.805 . . . . 0.0 111.178 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.5 t -69.85 -58.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.472 -0.767 . . . . 0.0 112.107 -177.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.55 -40.02 80.85 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.921 -1.112 . . . . 0.0 112.903 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.423 ' CG2' ' N ' ' B' ' 79' ' ' ALA . 14.3 m -66.3 -38.13 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.651 -1.281 . . . . 0.0 110.674 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.423 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -75.47 -26.79 58.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.575 -0.703 . . . . 0.0 111.042 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.519 ' CD2' ' HE1' ' D' ' 5' ' ' TRP . 52.1 mt -60.11 -35.61 75.62 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.229 0.538 . . . . 0.0 110.29 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.446 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 61.8 m -60.49 -54.92 39.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.983 -1.073 . . . . 0.0 111.551 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 42.4 t -73.64 -39.37 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.115 -0.991 . . . . 0.0 110.99 -179.1 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.22 85.19 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.103 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.595 ' SG ' ' CD1' ' B' ' 44' ' ' PHE . 52.3 t -62.92 -40.03 96.37 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.438 -0.789 . . . . 0.0 109.69 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.06 -40.19 88.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.313 -0.867 . . . . 0.0 110.537 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 95.0 m-20 -60.26 -42.16 94.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 0.0 110.296 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -69.95 -29.74 66.94 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 0.0 110.366 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 85.1 m-85 59.78 29.51 19.08 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -60.06 -39.98 87.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.685 -0.634 . . . . 0.0 110.495 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -57.43 -37.8 73.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.133 -0.979 . . . . 0.0 110.116 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -93.22 -12.31 30.54 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.894 -1.129 . . . . 0.0 109.278 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.555 -179.493 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.449 ' H2 ' ' H ' ' C' ' 2' ' ' LYS . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.449 ' H ' ' H2 ' ' C' ' 1' ' ' LYS . 70.9 mttt -60.12 -48.17 82.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.143 -0.973 . . . . 0.0 109.535 -179.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.75 91.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.627 -0.67 . . . . 0.0 110.021 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.21 -39.98 85.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.316 -0.865 . . . . 0.0 109.091 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -31.52 71.37 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.263 -0.898 . . . . 0.0 110.355 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -59.99 -42.69 94.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -0.879 . . . . 0.0 111.616 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . 0.454 ' CD ' ' HZ1' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -61.47 -40.16 93.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.592 -1.317 . . . . 0.0 111.024 -178.746 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' C' ' 12' ' ' GLN . 62.9 tp -60.35 -50.3 74.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.712 -1.243 . . . . 0.0 110.581 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.3 mp -63.86 -39.99 95.49 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 80.4 p -73.98 -20.61 60.29 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.21 -0.931 . . . . 0.0 108.534 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' C' ' 7' ' ' LYS . 6.7 tppt? -132.18 48.35 2.42 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.362 -0.837 . . . . 0.0 109.501 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' C' ' 8' ' ' LEU . 99.0 mt-30 . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.044 -1.035 . . . . 0.0 109.722 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -59.97 -48.45 81.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.1 -1.0 . . . . 0.0 109.583 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.76 90.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.556 -0.715 . . . . 0.0 109.877 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.92 -40.06 85.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.476 -0.765 . . . . 0.0 109.303 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -31.01 70.41 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.173 -0.954 . . . . 0.0 110.337 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -60.1 -43.42 95.59 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.195 -0.94 . . . . 0.0 111.618 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . 0.613 ' CE ' ' HZ1' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -61.49 -40.02 93.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.627 -1.295 . . . . 0.0 111.1 -178.513 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' D' ' 12' ' ' GLN . 60.0 tp -60.36 -50.1 74.94 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.753 -1.217 . . . . 0.0 110.307 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.9 mp -63.9 -39.81 95.05 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.301 -0.875 . . . . 0.0 108.912 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 78.3 p -74.39 -20.49 60.04 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.115 -0.99 . . . . 0.0 108.386 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' D' ' 7' ' ' LYS . 7.1 tppt? -132.1 48.34 2.43 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.428 -0.795 . . . . 0.0 109.586 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' D' ' 8' ' ' LEU . 98.2 mt-30 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.139 -0.975 . . . . 0.0 109.751 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.954 0 N-CA-C 119.323 2.489 . . . . 0.0 119.323 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -107.03 4.91 27.55 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.32 -53.91 50.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.73 -0.607 . . . . 0.0 110.362 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 91.8 mt -59.91 -39.63 86.09 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -178.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.47 -40.83 65.6 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.744 -1.223 . . . . 0.0 108.031 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.2 -30.47 64.98 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.812 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.9 -53.14 61.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.14 -0.975 . . . . 0.0 110.039 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.35 -40.15 93.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.24 -0.912 . . . . 0.0 111.143 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -39.53 93.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.433 ' HG1' ' H ' ' A' ' 11' ' ' LEU . 17.4 p -69.66 -45.49 68.25 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.73 -0.607 . . . . 0.0 111.108 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.433 ' H ' ' HG1' ' A' ' 10' ' ' THR . 83.5 mt -60.54 -40.16 90.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.627 -0.671 . . . . 0.0 111.972 -178.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.39 -32.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.819 -1.175 . . . . 0.0 112.172 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -61.67 -39.88 92.98 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.26 -1.525 . . . . 0.0 109.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 33.9 m -75.46 -34.82 30.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.624 -179.418 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.445 ' O ' ' OG ' ' A' ' 19' ' ' SER . 14.1 t80 -60.17 -54.83 41.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.055 -1.028 . . . . 0.0 111.074 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -73.18 -23.92 60.49 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.607 -0.683 . . . . 0.0 112.279 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.64 -60.16 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.394 -1.441 . . . . 0.0 111.493 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -76.31 -38.52 55.92 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.452 -1.405 . . . . 0.0 112.312 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' A' ' 15' ' ' PHE . 52.4 p -62.32 -21.26 65.13 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.945 -1.097 . . . . 0.0 112.551 -178.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.69 19.18 42.36 Favored Glycine 0 N--CA 1.503 3.141 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -76.15 -47.14 25.4 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.879 -1.365 . . . . 0.0 109.253 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -144.79 18.69 1.64 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.258 -0.901 . . . . 0.0 109.927 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.58 -159.69 24.88 Favored Glycine 0 N--CA 1.504 3.185 0 O-C-N 121.271 -0.893 . . . . 0.0 110.879 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 25' ' ' LYS . 95.2 m-20 -94.09 167.37 11.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.737 -0.861 . . . . 0.0 109.21 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 24' ' ' ASP . 34.6 ttpt -14.01 -100.74 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.541 0 C-N-CA 122.731 0.413 . . . . 0.0 111.352 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -127.17 81.69 2.04 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.696 -1.252 . . . . 0.0 110.317 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.403 ' HB2' ' HZ2' ' A' ' 27' ' ' LYS . 11.8 ttmm -142.66 143.16 32.23 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 8.6 tp -91.59 154.88 18.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.95 -1.094 . . . . 0.0 108.406 -179.372 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.417 ' HG ' ' H ' ' A' ' 30' ' ' LYS . 38.2 t -129.44 164.08 24.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.395 -0.816 . . . . 0.0 109.658 -178.359 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.417 ' H ' ' HG ' ' A' ' 29' ' ' SER . 33.1 ttmt -52.58 -47.05 67.12 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.175 179.905 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -73.59 -35.04 65.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.975 -1.078 . . . . 0.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.402 ' HB2' ' H ' ' A' ' 29' ' ' SER . 95.5 mt-10 -70.39 -31.91 69.33 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.352 -0.843 . . . . 0.0 110.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.439 ' CD1' ' C ' ' A' ' 33' ' ' LEU . 0.4 OUTLIER -82.08 -33.23 29.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 0.0 110.466 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.17 -43.99 95.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.161 -0.962 . . . . 0.0 110.904 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.65 -27.36 31.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.108 -0.995 . . . . 0.0 111.186 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.7 -40.48 76.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 112.085 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . 0.419 HD23 ' H ' ' A' ' 37' ' ' LEU . 1.1 pt? -83.88 -39.96 19.22 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.323 -0.86 . . . . 0.0 111.944 -177.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.539 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.7 pp0? -66.54 -38.4 87.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.606 -1.309 . . . . 0.0 110.205 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -66.09 -42.67 89.0 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.171 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -100.75 -19.66 15.92 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.706 -1.246 . . . . 0.0 111.068 -178.48 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -122.12 73.86 1.12 Allowed 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.007 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 43' ' ' SER . 73.2 p -85.64 141.0 30.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.424 0.631 . . . . 0.0 109.435 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER 73.75 -3.14 2.57 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.373 -0.83 . . . . 0.0 111.007 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.76 -61.14 1.69 Allowed 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -103.29 136.84 42.31 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 178.483 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 15.9 p-10 -118.79 150.52 39.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.076 -1.015 . . . . 0.0 108.868 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.448 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 10.8 m -154.27 -38.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 23.8 mt-30 -70.21 -52.04 26.33 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.201 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptpt -69.28 -41.04 77.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.077 -1.014 . . . . 0.0 110.749 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 49' ' ' LYS . 57.7 t0 -100.52 95.35 6.66 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.427 -0.796 . . . . 0.0 110.112 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.77 71.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.454 -0.779 . . . . 0.0 109.018 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -65.0 -38.35 90.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.342 -0.849 . . . . 0.0 110.967 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.93 -55.08 16.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 120.898 -1.126 . . . . 0.0 111.761 -177.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.34 -40.01 81.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.706 -1.246 . . . . 0.0 111.266 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.454 ' HZ1' ' CD ' ' C' ' 7' ' ' LYS . 0.7 OUTLIER -69.04 -40.0 78.83 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.976 -1.077 . . . . 0.0 111.473 -178.265 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -77.1 -54.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.212 -0.93 . . . . 0.0 110.607 -177.063 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.501 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -62.61 -45.28 93.6 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.674 -0.641 . . . . 0.0 112.084 -177.219 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' CB ' ' NZ ' ' A' ' 59' ' ' LYS . 8.8 mtmp? -65.53 -38.62 90.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.772 -1.205 . . . . 0.0 109.527 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -87.39 -16.21 35.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.134 -0.979 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.635 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.1 tp -90.79 -18.81 24.28 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.62 ' O ' ' N ' ' A' ' 65' ' ' GLY . 42.3 t0 -91.34 46.94 1.34 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 103.076 -2.935 . . . . 0.0 103.076 173.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.635 ' H ' ' C ' ' A' ' 61' ' ' LEU . 52.3 tp10 -39.16 -20.22 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 110.821 -2.899 . . . . 0.0 110.556 -177.486 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' ASP . 17.8 t-20 -85.44 -0.24 54.3 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.341 -1.474 . . . . 0.0 108.102 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 60.03 39.87 96.28 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -102.12 -11.05 19.12 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.002 -1.293 . . . . 0.0 110.952 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 87.07 -9.61 71.85 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 120.59 -1.319 . . . . 0.0 110.393 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 44.4 mt-10 -125.51 144.76 50.4 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 60.9 t -104.71 132.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 72' ' ' GLN . 94.6 m-20 -87.59 126.52 34.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.163 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.509 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 45.2 p90 -26.46 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.9 tt0 -60.2 -40.97 91.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.611 -1.306 . . . . 0.0 109.539 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.1 mt-10 -69.15 -40.01 78.46 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.22 -0.925 . . . . 0.0 109.951 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -62.05 -39.94 94.06 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -71.3 -34.15 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.091 -1.005 . . . . 0.0 110.726 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.75 -58.66 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.114 -0.991 . . . . 0.0 111.235 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 tt -70.1 -42.41 72.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.826 -1.171 . . . . 0.0 113.561 -176.471 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 53.1 t -61.14 -40.05 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.658 -1.276 . . . . 0.0 110.45 -179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.56 -28.12 37.32 Favored 'General case' 0 C--N 1.286 -2.167 0 O-C-N 121.219 -0.925 . . . . 0.0 112.412 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.81 -56.05 10.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 119.806 -1.809 . . . . 0.0 110.02 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.403 HD23 ' H ' ' A' ' 82' ' ' THR . 1.3 pt? -62.23 -39.1 91.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.026 -1.046 . . . . 0.0 111.051 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.428 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -61.92 -49.78 74.78 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.385 -0.822 . . . . 0.0 112.102 -177.488 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' N ' ' CG2' ' A' ' 82' ' ' THR . 19.4 m -74.05 -36.63 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.095 -1.628 . . . . 0.0 109.742 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.5 -32.17 72.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.789 -0.57 . . . . 0.0 110.744 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.506 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 93.0 m -69.93 -40.25 75.64 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.239 -0.913 . . . . 0.0 109.001 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.0 -39.95 91.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.496 -0.753 . . . . 0.0 109.994 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -60.63 -39.68 89.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.794 . . . . 0.0 110.873 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 20.1 m-85 -66.51 -62.15 1.61 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.679 -1.263 . . . . 0.0 110.61 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 9.0 m-85 -178.15 161.1 1.45 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.308 -0.87 . . . . 0.0 109.023 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -80.07 -12.92 59.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.176 -0.953 . . . . 0.0 108.879 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -79.97 -10.07 59.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.419 -0.801 . . . . 0.0 109.506 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 85' ' ' CYS . 50.2 p-10 -79.4 -0.2 31.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.983 -1.073 . . . . 0.0 109.004 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.567 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.913 0 N-CA-C 119.431 2.532 . . . . 0.0 119.431 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -107.32 5.23 27.31 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.4 -53.93 50.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.197 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 93.1 mt -59.83 -39.72 86.03 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.215 -0.928 . . . . 0.0 110.03 -178.353 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -53.48 -41.07 65.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.708 -1.245 . . . . 0.0 107.997 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -72.03 -28.88 63.66 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.829 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.439 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.85 -51.69 68.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.065 -1.022 . . . . 0.0 109.758 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.79 -40.14 94.17 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.462 -0.774 . . . . 0.0 110.82 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.73 -39.43 94.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.856 . . . . 0.0 110.051 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.439 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 18.0 p -69.97 -45.5 67.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.771 -0.581 . . . . 0.0 110.989 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.04 -40.6 89.96 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.663 -0.648 . . . . 0.0 112.131 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -82.82 -34.67 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 112.085 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.41 -40.1 89.78 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.462 -1.399 . . . . 0.0 109.044 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 34.0 m -75.7 -34.5 28.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.839 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.444 ' O ' ' OG ' ' B' ' 19' ' ' SER . 13.8 t80 -60.03 -54.93 40.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.945 -1.097 . . . . 0.0 111.079 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . 0.402 ' CD2' ' CD2' ' B' ' 15' ' ' PHE . 32.6 m170 -73.04 -23.88 60.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.558 -0.714 . . . . 0.0 112.31 -177.207 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.73 -60.0 2.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.424 -1.423 . . . . 0.0 111.595 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -76.73 -38.33 54.43 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.432 -1.417 . . . . 0.0 112.244 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 51.4 p -62.37 -21.51 65.39 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.983 -1.073 . . . . 0.0 112.564 -178.116 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.36 19.62 42.19 Favored Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -76.29 -47.41 23.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.819 -1.401 . . . . 0.0 109.228 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -144.65 18.51 1.66 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.292 -0.88 . . . . 0.0 109.836 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.34 -159.82 25.13 Favored Glycine 0 N--CA 1.501 3.003 0 O-C-N 121.223 -0.923 . . . . 0.0 110.852 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' B' ' 25' ' ' LYS . 95.6 m-20 -94.07 167.07 11.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.762 -0.846 . . . . 0.0 109.198 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' B' ' 24' ' ' ASP . 34.7 ttpt -13.85 -100.75 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.659 0 C-N-CA 122.792 0.437 . . . . 0.0 111.491 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -126.98 81.63 2.03 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 120.703 -1.248 . . . . 0.0 110.296 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.409 ' HZ1' ' HB2' ' B' ' 27' ' ' LYS . 12.2 ttmm -142.55 143.27 32.41 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.61 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 8.8 tp -91.83 154.23 19.04 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.915 -1.116 . . . . 0.0 108.19 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 48.3 t -129.49 163.7 25.34 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.315 -0.866 . . . . 0.0 109.68 -178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -51.67 -47.59 63.77 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.73 -34.81 64.94 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.942 -1.099 . . . . 0.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 92.7 mt-10 -70.4 -31.7 69.02 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 110.372 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.422 ' C ' ' CD1' ' B' ' 33' ' ' LEU . 0.4 OUTLIER -82.64 -32.81 28.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.405 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.46 -43.58 96.77 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 0.0 110.778 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.54 -27.88 31.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 111.247 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.73 -40.06 76.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.39 -0.819 . . . . 0.0 112.24 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . 0.413 HD22 ' H ' ' B' ' 37' ' ' LEU . 1.1 pt? -84.05 -40.61 18.14 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.24 -0.913 . . . . 0.0 111.995 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.55 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.8 pp0? -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 110.108 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.55 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.4 m -66.29 -42.87 87.76 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.151 -177.683 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -100.39 -19.75 16.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 -178.472 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -122.07 74.0 1.13 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.151 -0.968 . . . . 0.0 108.927 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' B' ' 43' ' ' SER . 74.7 p -85.82 140.93 30.01 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.0 OUTLIER 73.89 -3.63 2.46 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.503 -0.748 . . . . 0.0 110.93 179.093 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -109.21 -61.52 1.61 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -102.89 137.58 40.91 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.415 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 15.8 p-10 -119.55 150.87 39.55 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.056 -1.028 . . . . 0.0 108.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.45 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 14.3 m -154.72 -38.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.45 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 23.6 mt-30 -70.34 -52.75 20.39 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.214 -178.551 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' B' ' 50' ' ' ASP . 12.5 ptpt -68.63 -41.11 79.92 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.238 -0.914 . . . . 0.0 110.725 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' B' ' 49' ' ' LYS . 57.1 t0 -100.47 95.82 6.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.857 . . . . 0.0 110.083 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.61 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.933 . . . . 0.0 108.823 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.13 -36.72 78.12 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.289 -0.882 . . . . 0.0 108.633 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -66.33 -36.09 82.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.649 -0.657 . . . . 0.0 111.396 -179.74 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 48.6 t -71.22 -55.27 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.696 -1.252 . . . . 0.0 111.696 -178.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.18 -40.23 82.31 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.077 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.613 ' HZ1' ' CE ' ' D' ' 7' ' ' LYS . 0.7 OUTLIER -69.17 -40.03 78.37 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.03 -1.044 . . . . 0.0 111.484 -178.247 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.506 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -76.8 -54.69 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.195 -0.941 . . . . 0.0 110.548 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 58' ' ' MET . . . . . 0.486 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.72 -45.68 92.92 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.732 -0.605 . . . . 0.0 112.468 -177.267 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' B' ' 59' ' ' LYS . 8.9 mtmp? -65.67 -38.38 89.13 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.432 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -87.48 -16.19 35.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.086 -1.009 . . . . 0.0 109.14 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.622 ' C ' ' H ' ' B' ' 63' ' ' GLU . 43.8 tp -91.13 -18.71 24.07 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.598 ' O ' ' N ' ' B' ' 65' ' ' GLY . 43.8 t0 -91.23 46.71 1.33 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 173.791 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.622 ' H ' ' C ' ' B' ' 61' ' ' LEU . 52.2 tp10 -39.16 -19.9 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 110.901 -2.863 . . . . 0.0 110.524 -177.269 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 62' ' ' ASP . 18.8 t-20 -85.88 -0.03 54.33 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.405 -1.434 . . . . 0.0 108.229 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.38 37.76 93.65 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.523 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -100.3 -10.95 20.74 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.005 -1.291 . . . . 0.0 111.074 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 87.14 -9.94 70.67 Favored Glycine 0 N--CA 1.499 2.883 0 O-C-N 120.442 -1.411 . . . . 0.0 110.426 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.537 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 44.4 mt-10 -125.71 144.99 50.37 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . 0.47 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 62.0 t -104.21 132.69 50.17 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 O-C-N 121.575 -0.703 . . . . 0.0 109.813 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 72' ' ' GLN . 94.6 m-20 -87.47 126.67 35.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.142 -0.974 . . . . 0.0 109.049 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 46.3 p90 -26.81 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.7 tt0 -60.03 -41.25 91.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.597 -1.314 . . . . 0.0 109.459 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 70' ' ' ASP . 96.3 mt-10 -69.01 -39.9 79.03 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.179 -0.951 . . . . 0.0 109.806 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.41 -40.18 95.68 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p -70.99 -33.45 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.15 -0.969 . . . . 0.0 110.882 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.48 -58.62 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.962 -1.086 . . . . 0.0 111.316 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.2 tt -69.91 -43.07 72.46 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.94 -1.1 . . . . 0.0 113.238 -176.462 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 54.6 t -60.83 -39.73 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.601 -1.312 . . . . 0.0 110.28 -179.601 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.6 36.99 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 121.178 -0.952 . . . . 0.0 112.508 -178.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.69 -59.8 3.05 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 119.77 -1.831 . . . . 0.0 108.855 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -58.59 -39.44 80.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.33 -0.856 . . . . 0.0 111.055 -177.435 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.433 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -61.7 -50.01 74.16 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.124 -177.709 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 82' ' ' THR . 18.4 m -73.91 -36.49 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.251 -1.531 . . . . 0.0 109.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.55 -32.51 72.58 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.803 -0.561 . . . . 0.0 110.721 -179.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.501 ' O ' ' ND2' ' B' ' 92' ' ' ASN . 99.6 m -69.96 -40.19 75.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 108.922 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.79 -40.0 90.97 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.478 -0.764 . . . . 0.0 110.163 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -60.16 -39.86 87.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.387 -0.821 . . . . 0.0 111.035 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 19.9 m-85 -66.55 -61.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.75 -1.219 . . . . 0.0 110.587 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 8.3 m-85 -178.36 160.8 1.34 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.394 -0.816 . . . . 0.0 109.175 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -80.02 -13.01 59.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.081 -1.012 . . . . 0.0 108.88 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -79.97 -9.95 59.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.485 -0.759 . . . . 0.0 109.393 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' B' ' 85' ' ' CYS . 50.1 p-10 -79.33 -0.43 32.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.031 -1.043 . . . . 0.0 109.144 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.522 179.862 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' C' ' 2' ' ' LYS . 16.1 ptpt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' C' ' 1' ' ' LYS . 3.0 ttmp? 40.21 -129.34 0.37 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.515 -0.741 . . . . 0.0 109.869 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.66 77.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.022 -1.049 . . . . 0.0 109.874 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.29 -25.4 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.013 -1.055 . . . . 0.0 109.498 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.372 -0.83 . . . . 0.0 110.057 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -68.2 -23.46 64.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.682 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -59.97 -54.65 43.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.827 -1.171 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.53 -50.01 75.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 110.037 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 3.7 mm? -60.04 -39.62 86.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t -67.5 -40.1 85.16 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.046 -1.033 . . . . 0.0 110.475 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' C' ' 12' ' ' GLN . 38.7 mmtm -60.09 -39.94 87.85 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.04 -1.037 . . . . 0.0 110.963 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' C' ' 11' ' ' LYS . 6.6 pt20 . . . . . 0 N--CA 1.499 2.006 0 O-C-N 121.025 -1.047 . . . . 0.0 110.407 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' D' ' 2' ' ' LYS . 16.4 ptpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' D' ' 1' ' ' LYS . 2.9 ttmp? 40.5 -129.38 0.4 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.625 -0.672 . . . . 0.0 109.845 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.76 77.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.16 -0.962 . . . . 0.0 109.8 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -61.18 -25.48 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.177 -0.952 . . . . 0.0 109.527 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -59.86 -39.85 86.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.802 . . . . 0.0 110.263 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -68.34 -23.62 64.72 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.205 -0.934 . . . . 0.0 110.608 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 47.1 tttt -60.06 -54.77 42.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.826 -1.171 . . . . 0.0 110.509 -178.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.32 -50.04 75.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.627 -1.296 . . . . 0.0 110.105 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.438 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 3.7 mm? -59.96 -39.41 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.171 -0.956 . . . . 0.0 109.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t -67.8 -40.04 83.93 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.134 -0.979 . . . . 0.0 110.44 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' D' ' 12' ' ' GLN . 38.6 mmtm -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.046 -1.034 . . . . 0.0 110.977 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' D' ' 11' ' ' LYS . 6.8 pt20 . . . . . 0 N--CA 1.499 2.025 0 O-C-N 121.081 -1.012 . . . . 0.0 110.456 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.819 0 N-CA-C 119.503 2.561 . . . . 0.0 119.503 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -108.58 -0.4 20.31 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.447 -1.031 . . . . 0.0 109.606 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.506 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.8 mt-10 -60.32 -57.93 10.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.954 -1.091 . . . . 0.0 110.834 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 95.1 mt -60.0 -34.51 73.43 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.497 -1.377 . . . . 0.0 109.604 -178.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -57.33 -41.03 79.22 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.08 -1.012 . . . . 0.0 108.492 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 30.2 p -71.58 -31.83 67.39 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.294 -0.878 . . . . 0.0 109.304 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -55.54 -57.13 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.671 -0.643 . . . . 0.0 110.942 -177.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptm -59.98 -33.08 71.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.611 -1.306 . . . . 0.0 110.192 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.47 -40.04 92.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.2 -0.937 . . . . 0.0 110.246 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 7.2 p -68.59 -45.58 71.63 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.687 -0.633 . . . . 0.0 110.647 -178.535 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 84.8 mt -61.12 -40.12 92.59 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 111.751 -178.72 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.07 -39.56 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.94 -1.1 . . . . 0.0 112.625 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 3' ' ' GLU . 22.6 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.075 -1.64 . . . . 0.0 109.878 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.9 p -77.71 -34.35 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.892 -0.505 . . . . 0.0 110.542 -179.209 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 46.8 t80 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.173 -0.954 . . . . 0.0 110.973 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -74.12 -21.69 59.77 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.79 -0.569 . . . . 0.0 110.789 -178.263 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -60.55 2.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.126 . . . . 0.0 110.45 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -69.93 -40.03 75.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.447 -1.408 . . . . 0.0 110.705 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 p -68.97 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 111.263 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.79 11.58 66.24 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.146 -0.971 . . . . 0.0 110.923 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -84.97 -59.92 2.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.709 -1.465 . . . . 0.0 109.028 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.535 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 8.2 pt-20 -132.85 71.0 1.46 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.49 -0.756 . . . . 0.0 109.724 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.08 -151.44 7.61 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 28.0 t0 -91.0 158.92 16.42 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 93.5 mttt -55.32 -28.35 53.1 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.036 -1.04 . . . . 0.0 110.369 -178.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -146.96 48.05 1.15 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.574 -1.329 . . . . 0.0 112.532 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -138.69 137.85 37.2 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 tp -94.13 149.77 20.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.501 -1.374 . . . . 0.0 108.85 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 23.1 t -125.8 162.98 23.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.343 -0.848 . . . . 0.0 109.404 -178.628 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -53.34 -47.97 68.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.157 -0.965 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.535 ' NZ ' ' O ' ' A' ' 22' ' ' GLU . 19.4 pttp -70.93 -29.0 64.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.97 -1.081 . . . . 0.0 110.005 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 91.3 mt-10 -79.44 -35.15 40.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.01 -49.99 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.689 -0.632 . . . . 0.0 111.75 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -67.83 -35.18 78.13 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.763 -1.211 . . . . 0.0 111.581 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.26 -38.19 90.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.73 -1.231 . . . . 0.0 108.292 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 60.5 tp -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 86.7 mt -85.87 -33.69 21.2 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.477 -1.389 . . . . 0.0 113.566 -177.611 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.26 -20.86 63.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.249 -1.532 . . . . 0.0 110.226 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -74.89 -64.52 1.03 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.837 -0.54 . . . . 0.0 111.749 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 33.2 mp0 -89.95 -50.0 6.28 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.449 -1.407 . . . . 0.0 112.203 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.48 69.11 4.93 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.655 -1.278 . . . . 0.0 108.96 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -80.01 -22.08 42.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.784 -0.572 . . . . 0.0 111.416 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.2 p -110.24 6.34 22.49 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.116 -0.99 . . . . 0.0 111.56 -178.21 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.22 -82.07 0.64 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.032 -1.043 . . . . 0.0 108.522 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.552 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.8 mm? -70.02 139.87 52.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 92.4 m-20 -128.47 156.55 43.06 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 122.21 1.005 . . . . 0.0 109.505 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.7 m -159.25 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -82.12 -36.45 27.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.579 -0.701 . . . . 0.0 111.906 -178.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -61.33 -39.81 91.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.743 -1.223 . . . . 0.0 109.804 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -124.67 113.62 18.25 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 121.604 0.716 . . . . 0.0 110.623 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.96 -25.87 63.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.95 -39.91 91.32 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.93 95.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.515 -0.74 . . . . 0.0 111.029 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 21.6 t -69.04 -54.71 18.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 112.697 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.79 -40.02 91.52 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 120.522 -1.361 . . . . 0.0 110.928 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -69.61 -39.99 76.88 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.364 -0.835 . . . . 0.0 111.309 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.545 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -82.2 -55.81 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.736 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.2 -42.49 95.19 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.753 -0.592 . . . . 0.0 111.7 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.9 -36.84 75.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.963 -1.086 . . . . 0.0 109.558 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -87.83 -18.07 30.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.078 -1.013 . . . . 0.0 109.419 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.7 tp -83.33 -17.29 42.93 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.626 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.3 t0 -94.18 44.87 1.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 103.128 -2.916 . . . . 0.0 103.128 174.084 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.581 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.7 tt0 -37.9 -18.18 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 111.202 -2.726 . . . . 0.0 111.06 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 82.7 m-20 -86.71 0.06 55.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.534 -1.354 . . . . 0.0 108.088 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.626 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.98 36.45 90.31 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.741 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -99.4 -13.17 19.69 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.832 -1.393 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 88.64 -10.16 73.15 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.663 -1.273 . . . . 0.0 110.309 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 mt-10 -121.16 139.75 52.93 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -96.19 138.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 121.526 0.679 . . . . 0.0 109.178 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.556 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 41.8 t0 -95.04 117.82 30.81 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.2 p90 -24.65 -39.14 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 20.3 tm0? -59.99 -42.68 94.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.625 -1.297 . . . . 0.0 108.845 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 70' ' ' ASP . 99.4 mt-10 -64.14 -39.99 95.2 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.983 0.897 . . . . 0.0 109.223 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.423 ' CD1' ' C ' ' A' ' 74' ' ' PHE . 25.2 t80 -60.08 -39.96 87.91 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.883 -0.511 . . . . 0.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -70.0 -33.24 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.726 -1.234 . . . . 0.0 111.458 -177.85 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.34 -60.33 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.682 -1.261 . . . . 0.0 111.817 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.09 -42.59 72.52 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.943 -1.098 . . . . 0.0 112.695 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.15 -41.24 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.9 -1.125 . . . . 0.0 111.424 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.46 -24.26 59.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.072 -1.017 . . . . 0.0 109.469 -179.324 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.78 -52.16 47.37 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.54 -33.22 75.12 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.552 0.692 . . . . 0.0 110.042 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -53.93 52.03 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.503 -0.748 . . . . 0.0 111.417 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -80.18 -29.97 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.851 -1.155 . . . . 0.0 110.994 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.2 90.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.353 -0.842 . . . . 0.0 110.241 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.8 m -69.59 -40.05 76.92 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.29 -0.881 . . . . 0.0 109.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -60.01 -41.61 92.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.353 -0.842 . . . . 0.0 109.712 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -63.89 -39.95 95.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.945 . . . . 0.0 109.98 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.33 -19.53 64.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.261 -0.9 . . . . 0.0 109.876 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.48 139.95 56.66 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.099 -1.001 . . . . 0.0 109.113 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -60.01 -40.1 88.07 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.214 -0.929 . . . . 0.0 110.535 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.23 -9.99 59.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.112 -0.993 . . . . 0.0 109.887 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -105.65 19.33 20.73 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.47 -0.769 . . . . 0.0 109.236 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.649 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.879 0 N-CA-C 119.662 2.625 . . . . 0.0 119.662 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m -108.89 -0.23 19.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.459 -1.024 . . . . 0.0 109.591 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.508 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.8 mt-10 -60.38 -57.92 10.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.936 -1.103 . . . . 0.0 110.777 -177.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 96.1 mt -59.92 -35.01 73.98 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.518 -1.364 . . . . 0.0 109.623 -178.268 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.9 -41.15 77.57 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.05 -1.031 . . . . 0.0 108.518 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.508 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 30.7 p -71.56 -31.07 66.58 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.282 -0.886 . . . . 0.0 109.351 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.446 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -56.17 -56.66 18.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.695 -0.628 . . . . 0.0 110.94 -176.298 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.7 ptm -60.06 -33.1 71.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.9 -1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.68 -39.82 91.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.237 -0.915 . . . . 0.0 110.144 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 7.8 p -68.84 -45.74 70.34 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.437 0.637 . . . . 0.0 110.603 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.2 mt -60.65 -40.09 90.76 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.497 -0.752 . . . . 0.0 111.894 -178.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -82.22 -40.01 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.785 -1.197 . . . . 0.0 112.538 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' OE2' ' A' ' 3' ' ' GLU . 22.9 t-20 -60.06 -40.96 91.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.221 -1.549 . . . . 0.0 109.769 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 p -77.89 -34.24 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.912 -0.493 . . . . 0.0 110.585 -179.329 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 47.4 t80 -59.97 -50.12 75.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.025 -1.047 . . . . 0.0 110.903 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -74.1 -21.64 59.81 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.894 -0.504 . . . . 0.0 110.721 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.16 -60.64 2.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.848 -1.157 . . . . 0.0 110.522 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -69.81 -40.07 76.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.375 -1.453 . . . . 0.0 110.637 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -68.96 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.35 -0.844 . . . . 0.0 111.328 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.05 11.81 65.72 Favored Glycine 0 N--CA 1.497 2.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.829 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -84.89 -60.37 2.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.75 -1.441 . . . . 0.0 109.024 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.538 ' O ' ' NZ ' ' B' ' 31' ' ' LYS . 8.2 pt-20 -132.59 71.04 1.46 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.494 -0.754 . . . . 0.0 109.741 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.11 -151.58 7.7 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 27.8 t0 -90.81 158.87 16.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.089 -1.242 . . . . 0.0 107.798 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 93.0 mttt -55.38 -28.27 52.9 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.054 -1.028 . . . . 0.0 110.237 -178.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -146.99 47.99 1.15 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.589 -1.319 . . . . 0.0 112.637 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -138.54 137.91 37.5 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 11.9 tp -94.12 149.99 20.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.556 -1.34 . . . . 0.0 108.862 -178.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 23.3 t -126.07 162.35 25.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.384 -0.822 . . . . 0.0 109.393 -178.594 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -47.68 68.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.04 -1.037 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.538 ' NZ ' ' O ' ' B' ' 22' ' ' GLU . 19.6 pttp -71.23 -28.77 64.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.088 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -79.31 -35.41 41.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.95 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.861 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.64 -35.13 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.721 -1.237 . . . . 0.0 111.548 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.39 -38.32 90.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.702 -1.249 . . . . 0.0 108.312 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 63.2 tp -60.03 -39.97 87.75 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.1 mt -85.96 -33.2 21.19 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.672 -1.267 . . . . 0.0 113.613 -177.593 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.79 -20.66 62.57 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.276 -1.515 . . . . 0.0 110.164 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 90.5 m -74.9 -64.53 1.03 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.839 -0.538 . . . . 0.0 111.629 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 33.4 mp0 -89.93 -49.89 6.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.551 -1.343 . . . . 0.0 112.328 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 69.27 4.7 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.61 -1.306 . . . . 0.0 108.924 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -80.07 -22.16 42.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.906 -0.496 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -110.23 6.51 22.66 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.124 -0.985 . . . . 0.0 111.55 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -124.49 -81.83 0.64 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.988 -1.07 . . . . 0.0 108.448 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.555 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 2.9 mm? -70.17 140.0 52.47 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 92.9 m-20 -128.79 156.96 42.75 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 122.221 1.01 . . . . 0.0 109.476 -178.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.472 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 16.1 m -159.88 -34.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.4 pt20 -81.99 -36.54 27.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.602 -0.686 . . . . 0.0 111.939 -178.241 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -61.35 -39.7 91.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.68 -1.263 . . . . 0.0 109.856 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -124.65 113.43 18.01 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.636 0.731 . . . . 0.0 110.642 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -25.35 63.51 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -61.36 -39.64 91.38 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.39 90.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.592 -0.693 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 21.3 t -70.11 -54.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 112.727 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.46 -40.09 92.78 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 120.581 -1.325 . . . . 0.0 110.846 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 65.8 mmtt -69.89 -39.86 75.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.312 -0.867 . . . . 0.0 111.363 -177.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.7 mt -82.31 -55.74 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 110.762 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.01 -42.59 94.63 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.703 -0.623 . . . . 0.0 111.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -70.02 -36.94 75.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.963 -1.085 . . . . 0.0 109.412 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -87.64 -18.1 30.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.177 -0.952 . . . . 0.0 109.424 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.556 ' C ' ' H ' ' B' ' 63' ' ' GLU . 67.2 tp -83.37 -17.41 42.43 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.628 ' O ' ' N ' ' B' ' 65' ' ' GLY . 45.5 t0 -93.94 44.91 1.13 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 103.292 -2.855 . . . . 0.0 103.292 173.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.556 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.1 tt0 -37.99 -17.99 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 111.191 -2.731 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 82.7 m-20 -86.74 -0.09 55.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.481 -1.387 . . . . 0.0 107.994 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.628 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.08 33.76 85.36 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.849 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -97.54 -12.92 22.01 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.751 -1.441 . . . . 0.0 110.671 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.552 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 88.26 -10.21 72.09 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 120.703 -1.248 . . . . 0.0 110.411 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.567 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.9 mt-10 -120.79 141.12 50.81 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -96.86 138.63 21.41 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 121.468 -0.77 . . . . 0.0 109.072 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 41.9 t0 -94.86 118.05 31.14 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.481 -0.762 . . . . 0.0 109.16 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 55.0 p90 -24.9 -38.9 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.558 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 20.4 tm0? -59.98 -42.68 94.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.666 -1.271 . . . . 0.0 108.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.5 mt-10 -64.3 -40.03 95.12 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.941 0.877 . . . . 0.0 109.238 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.429 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 25.0 t80 -60.05 -39.89 87.5 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.02 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -69.86 -33.3 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.708 -1.245 . . . . 0.0 111.469 -177.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.27 -60.49 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.683 -1.261 . . . . 0.0 111.847 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.06 -42.66 72.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 112.713 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.68 -41.55 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.932 -1.105 . . . . 0.0 111.47 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.53 -24.2 58.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.212 -0.93 . . . . 0.0 109.641 -179.223 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.89 14.51 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.11 -33.76 72.56 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.378 0.609 . . . . 0.0 110.108 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -59.94 -54.01 51.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.342 -0.849 . . . . 0.0 111.416 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.11 -29.94 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.855 -1.153 . . . . 0.0 111.007 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.22 90.25 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.57 -39.89 77.08 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.275 -0.891 . . . . 0.0 109.149 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.07 -41.54 92.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.0 109.688 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -63.99 -40.02 95.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.843 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.33 -19.28 64.48 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.428 -0.795 . . . . 0.0 109.954 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.89 139.96 57.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.01 -1.056 . . . . 0.0 109.068 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -59.98 -40.06 87.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.263 -0.898 . . . . 0.0 110.567 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -71.3 -9.75 58.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.064 -1.022 . . . . 0.0 109.832 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -105.95 19.33 20.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.375 -0.828 . . . . 0.0 109.251 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.724 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -119.15 -49.79 2.38 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.37 -0.831 . . . . 0.0 109.614 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.5 -41.37 76.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.155 -0.966 . . . . 0.0 110.566 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.32 -46.72 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.94 -1.1 . . . . 0.0 109.258 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . 0.415 ' CH2' ' CD2' ' A' ' 81' ' ' LEU . 76.6 t-105 -59.93 -45.12 93.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.48 -0.762 . . . . 0.0 109.506 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -40.04 87.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.519 -0.738 . . . . 0.0 110.558 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.96 -50.04 75.3 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 111.179 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.98 -49.24 78.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.87 -1.144 . . . . 0.0 110.166 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' C' ' 9' ' ' LEU . 3.5 mm? -64.72 -40.83 96.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.914 -1.116 . . . . 0.0 109.057 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m -68.41 -41.35 80.56 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.074 -1.016 . . . . 0.0 109.589 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -60.46 -39.99 89.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.463 -0.773 . . . . 0.0 109.921 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.444 ' OE1' ' OD2' ' A' ' 50' ' ' ASP . 15.1 mm100 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.52 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -119.2 -49.68 2.38 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.481 -0.762 . . . . 0.0 109.597 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.61 -41.14 76.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.262 -0.899 . . . . 0.0 110.576 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.52 -46.9 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.997 -1.064 . . . . 0.0 109.194 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -60.09 -44.73 94.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.425 -0.797 . . . . 0.0 109.527 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.12 -39.99 88.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.493 -0.754 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.176 -0.952 . . . . 0.0 111.089 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 110.062 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 3.8 mm? -64.7 -40.89 96.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.014 -1.054 . . . . 0.0 109.111 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -68.44 -41.21 80.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.027 -1.045 . . . . 0.0 109.587 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -60.61 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 0.0 109.887 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.555 -179.698 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.832 0 N-CA-C 119.391 2.516 . . . . 0.0 119.391 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -105.75 -9.25 17.36 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.454 -1.027 . . . . 0.0 108.691 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.456 ' O ' ' OG1' ' A' ' 6' ' ' THR . 57.4 mm-40 -60.42 -56.81 16.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.404 -0.81 . . . . 0.0 109.88 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.5 tp -57.42 -38.05 73.75 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.6 -1.312 . . . . 0.0 109.623 -177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.85 -44.09 73.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.242 -0.911 . . . . 0.0 109.183 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 29.3 p -68.79 -33.05 73.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.44 -0.787 . . . . 0.0 110.112 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.437 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -58.32 -42.64 87.22 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 108.962 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 82' ' ' THR . 1.5 mtp -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.917 -1.114 . . . . 0.0 110.63 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -63.76 -39.65 94.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.151 -0.968 . . . . 0.0 109.936 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 16.7 p -68.34 -47.02 68.6 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.555 -0.716 . . . . 0.0 112.059 -177.56 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 31.2 mt -60.0 -43.81 94.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.289 -0.882 . . . . 0.0 111.74 -178.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.08 -35.5 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.956 -1.09 . . . . 0.0 112.252 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.04 -40.19 88.55 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 120.162 -1.586 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.17 -33.84 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.576 -0.703 . . . . 0.0 110.871 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.88 -50.04 75.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.169 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.32 -24.42 46.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.687 -0.633 . . . . 0.0 111.387 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.97 2.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.64 -1.288 . . . . 0.0 110.597 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.92 -39.89 87.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.828 -1.17 . . . . 0.0 111.0 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 21.9 t -61.2 -17.04 51.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 111.399 -178.191 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.61 17.22 10.29 Favored Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -67.52 -23.48 65.46 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.855 -1.379 . . . . 0.0 109.186 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.01 6.46 45.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.461 -0.775 . . . . 0.0 109.778 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.75 28.58 23.55 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 120.059 -1.067 . . . . 0.0 110.846 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 25' ' ' LYS . 92.6 m-20 -104.83 120.01 40.37 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' O ' ' O ' ' A' ' 24' ' ' ASP . 82.7 mttt -28.48 -107.17 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.837 0 CA-C-N 118.683 0.674 . . . . 0.0 110.188 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -136.16 71.82 1.43 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.748 -1.22 . . . . 0.0 110.203 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . 0.525 ' HZ1' ' CB ' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -139.19 141.78 37.94 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.678 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.01 150.52 20.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.969 -1.082 . . . . 0.0 110.52 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.48 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.1 p -125.87 164.08 21.53 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.677 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.12 -39.96 30.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.286 -1.366 . . . . 0.0 110.294 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 17.2 tptm -71.73 -32.0 67.3 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.936 -1.102 . . . . 0.0 112.243 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' A' ' 29' ' ' SER . 27.0 mt-10 -73.04 -38.12 66.63 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.734 -1.229 . . . . 0.0 108.495 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . 0.463 ' C ' ' CD2' ' A' ' 33' ' ' LEU . 2.5 tt -64.75 -44.1 91.19 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.052 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 79.0 tttt -66.33 -40.34 89.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.044 -1.035 . . . . 0.0 112.104 -176.633 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 31' ' ' LYS . 12.4 p-10 -77.14 -26.72 53.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.704 -1.247 . . . . 0.0 109.507 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.47 -40.09 85.3 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.539 -0.725 . . . . 0.0 112.547 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.94 -34.24 20.95 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.632 -1.293 . . . . 0.0 113.083 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' CD ' ' NE2' ' A' ' 48' ' ' GLN . 14.6 pt20 -69.3 -21.0 63.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.613 -1.305 . . . . 0.0 109.747 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -80.08 -70.02 0.55 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.19 -53.97 7.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 112.928 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.96 57.54 2.8 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.637 -1.29 . . . . 0.0 108.423 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 45.1 m -69.99 -25.26 63.52 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.263 -178.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 t -105.52 2.11 28.15 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.909 -1.119 . . . . 0.0 111.151 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -119.88 -80.01 0.61 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.268 -0.895 . . . . 0.0 109.101 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.463 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.5 mm? -77.23 130.46 37.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p-10 -112.32 155.79 23.52 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.431 ' CG2' ' N ' ' A' ' 48' ' ' GLN . 15.9 m -155.82 -37.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.476 ' NE2' ' CD ' ' A' ' 38' ' ' GLN . 87.5 mt-30 -69.93 -53.35 18.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.773 -0.579 . . . . 0.0 112.169 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -69.88 -35.46 74.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 111.485 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' OD2' ' OE1' ' C' ' 12' ' ' GLN . 89.8 m-20 -100.13 99.49 10.21 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.904 -1.122 . . . . 0.0 110.258 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.14 -37.47 75.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 93.6 m-20 -59.97 -33.23 71.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.378 -0.826 . . . . 0.0 108.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.57 77.12 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.688 -0.633 . . . . 0.0 110.993 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 53.3 t -69.35 -55.18 16.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.054 -1.029 . . . . 0.0 111.422 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 25.4 p-10 -65.43 -40.49 93.37 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.565 -1.334 . . . . 0.0 111.452 -177.362 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 3.7 ttpm? -70.03 -40.32 75.26 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.995 -1.066 . . . . 0.0 111.111 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.503 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -78.93 -55.49 9.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.47 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.08 -46.0 91.01 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.827 -0.546 . . . . 0.0 111.589 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -69.57 -38.26 77.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -84.92 -17.23 38.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.062 -1.024 . . . . 0.0 109.05 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.571 ' C ' ' H ' ' A' ' 63' ' ' GLU . 7.2 tt -86.68 -14.43 42.6 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.608 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 8.3 t70 -94.5 46.73 1.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 173.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.571 ' H ' ' C ' ' A' ' 61' ' ' LEU . 46.9 tp10 -44.25 -21.42 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 110.447 -3.07 . . . . 0.0 110.845 -177.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -85.67 -0.07 54.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.55 -1.344 . . . . 0.0 107.991 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 65.68 31.51 80.18 Favored Glycine 0 N--CA 1.493 2.465 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.408 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 4.4 p-10 -98.38 -11.5 22.38 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.719 -1.46 . . . . 0.0 109.96 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.608 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.06 0.16 88.37 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 46.7 mt-10 -124.74 141.45 52.1 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.8 t -97.04 134.38 35.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-O 122.052 0.93 . . . . 0.0 111.018 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 11.0 t70 -86.98 158.35 19.28 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.5 p90 -60.0 -38.08 81.57 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.1 -1.0 . . . . 0.0 110.305 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.552 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -65.18 -39.66 93.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.857 -1.152 . . . . 0.0 110.646 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.93 -39.94 79.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.39 -1.444 . . . . 0.0 110.154 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.21 -40.0 86.39 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.47 -0.769 . . . . 0.0 112.458 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.73 -31.91 47.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 120.767 -1.208 . . . . 0.0 111.088 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.73 -60.8 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.115 -0.99 . . . . 0.0 112.435 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tp -70.17 -40.01 74.94 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.853 -1.155 . . . . 0.0 112.615 -176.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 22.9 t -68.52 -39.93 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.886 -1.134 . . . . 0.0 109.991 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.72 -23.72 61.67 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.78 64.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 111.352 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' CD2' ' CH2' ' C' ' 5' ' ' TRP . 18.5 mt -91.76 -35.98 13.82 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.579 -1.326 . . . . 0.0 110.812 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -65.12 -44.34 89.04 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.622 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 16.0 t -75.61 -43.75 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 110.265 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.46 71.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.693 -0.63 . . . . 0.0 110.724 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -73.32 -42.78 61.95 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 111.189 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.22 -40.86 91.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 0.0 111.17 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.41 -31.98 32.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.229 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.69 -39.92 93.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.111 -0.993 . . . . 0.0 111.702 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 90' ' ' TRP . 2.8 p90 -83.11 23.87 0.83 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.516 -1.365 . . . . 0.0 110.813 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.474 ' O ' ' O ' ' A' ' 89' ' ' PHE . 35.6 t-105 -60.03 -139.96 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.256 -0.903 . . . . 0.0 109.334 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 90' ' ' TRP . 88.2 tt0 -70.41 -8.88 54.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.958 -1.088 . . . . 0.0 108.243 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . 0.401 ' O ' ' OXT' ' A' ' 93' ' ' SER . 32.0 p-10 -90.49 5.99 45.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.373 -0.829 . . . . 0.0 109.114 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . 0.401 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 41.3 t . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.667 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.817 0 N-CA-C 119.384 2.514 . . . . 0.0 119.384 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -105.5 -9.2 17.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.421 -1.047 . . . . 0.0 108.823 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' B' ' 6' ' ' THR . 57.3 mm-40 -60.33 -56.87 16.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.437 -0.79 . . . . 0.0 109.861 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.5 tp -57.98 -37.28 73.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.501 -1.374 . . . . 0.0 109.51 -177.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.38 -43.58 75.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.146 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 28.6 p -69.33 -31.94 70.72 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.45 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.745 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 82' ' ' THR . 1.4 mtp -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.143 -0.973 . . . . 0.0 110.441 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 9' ' ' GLU . 0.8 OUTLIER -63.62 -39.63 94.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.087 -1.008 . . . . 0.0 109.942 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.45 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.8 p -68.22 -47.1 68.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.578 -0.701 . . . . 0.0 112.038 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 32.1 mt -59.96 -43.72 94.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.295 -0.878 . . . . 0.0 111.836 -178.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mt -79.56 -36.48 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.06 -1.025 . . . . 0.0 112.034 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.87 -40.07 87.41 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.28 -1.513 . . . . 0.0 109.549 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.07 -33.78 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.719 . . . . 0.0 111.037 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.157 -0.965 . . . . 0.0 111.233 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -78.25 -24.17 47.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.587 -0.696 . . . . 0.0 111.445 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.0 -59.95 2.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.651 -1.28 . . . . 0.0 110.597 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -66.73 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.889 -1.132 . . . . 0.0 110.905 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 25.7 t -61.19 -16.99 50.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 111.486 -178.206 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.54 16.73 10.44 Favored Glycine 0 N--CA 1.501 2.969 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -67.11 -23.47 65.83 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.821 -1.4 . . . . 0.0 109.235 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.02 6.37 45.06 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.466 -0.771 . . . . 0.0 109.681 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.6 28.78 23.37 Favored Glycine 0 N--CA 1.496 2.694 0 C-N-CA 120.045 -1.074 . . . . 0.0 110.784 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.623 ' O ' ' O ' ' B' ' 25' ' ' LYS . 92.9 m-20 -104.86 120.0 40.36 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 177.518 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.623 ' O ' ' O ' ' B' ' 24' ' ' ASP . 83.6 mttt -28.73 -107.14 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.802 0 CA-C-N 118.599 0.636 . . . . 0.0 110.176 -178.813 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -136.16 71.71 1.43 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.702 -1.249 . . . . 0.0 110.133 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.507 ' HZ2' ' CB ' ' B' ' 27' ' ' LYS . 0.0 OUTLIER -139.24 141.87 37.85 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.1 mm? -97.17 150.15 21.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.027 -1.046 . . . . 0.0 110.539 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.466 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 89.9 p -125.27 164.24 20.77 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.06 -40.04 29.92 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.332 -1.347 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.439 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 17.5 tptm -72.29 -31.08 65.41 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.832 -1.167 . . . . 0.0 112.136 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.466 ' HB2' ' H ' ' B' ' 29' ' ' SER . 26.4 mt-10 -73.53 -38.07 65.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.47 -1.394 . . . . 0.0 108.267 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . 0.464 ' CD2' ' C ' ' B' ' 33' ' ' LEU . 2.5 tt -64.45 -44.52 90.87 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.18 -179.416 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -65.99 -40.41 91.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 112.214 -176.719 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 31' ' ' LYS . 12.4 p-10 -77.12 -26.65 53.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.6 -40.11 84.78 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.528 -0.733 . . . . 0.0 112.562 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -85.81 -35.2 20.83 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.525 -1.359 . . . . 0.0 112.971 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.474 ' CD ' ' NE2' ' B' ' 48' ' ' GLN . 14.5 pt20 -68.33 -21.19 64.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.748 -1.22 . . . . 0.0 109.764 -178.155 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 59.0 m -79.97 -69.76 0.56 Allowed 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.282 0.563 . . . . 0.0 111.896 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.46 -54.0 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 0.0 112.931 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -93.07 57.65 2.78 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.652 -1.28 . . . . 0.0 108.338 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 45.9 m -70.13 -24.98 63.27 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.224 -178.794 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -105.94 2.43 27.49 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.0 -1.063 . . . . 0.0 111.061 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.03 -79.96 0.61 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.277 -0.889 . . . . 0.0 109.051 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.471 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -77.29 130.61 37.41 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 33.5 p-10 -112.47 155.53 24.1 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.434 ' CG2' ' N ' ' B' ' 48' ' ' GLN . 15.9 m -155.81 -37.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.474 ' NE2' ' CD ' ' B' ' 38' ' ' GLN . 88.8 mt-30 -70.07 -53.79 15.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.849 -0.532 . . . . 0.0 112.036 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -69.17 -35.9 76.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.799 -1.188 . . . . 0.0 111.514 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 90.0 m-20 -100.06 99.52 10.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.967 -1.083 . . . . 0.0 110.101 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -37.18 75.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.419 -0.8 . . . . 0.0 109.057 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 92.9 m-20 -60.09 -33.46 72.13 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.929 0.871 . . . . 0.0 108.885 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -70.04 -37.05 75.47 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.673 -0.642 . . . . 0.0 111.499 -179.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 56.9 t -71.3 -55.22 14.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 111.384 -178.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 25.2 p-10 -65.22 -40.75 94.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.575 -1.328 . . . . 0.0 111.355 -177.327 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 3.7 ttpm? -70.05 -40.58 75.01 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.984 -1.072 . . . . 0.0 111.096 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.0 mt -78.53 -55.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.231 -0.918 . . . . 0.0 110.509 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.05 -45.6 92.29 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.797 -0.564 . . . . 0.0 111.691 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.95 -37.97 76.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.852 -1.155 . . . . 0.0 110.04 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 56' ' ' LYS . 0.9 OUTLIER -85.02 -17.48 37.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.077 -1.014 . . . . 0.0 109.05 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.579 ' C ' ' H ' ' B' ' 63' ' ' GLU . 7.1 tt -86.61 -14.29 43.19 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.607 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 8.6 t70 -94.61 46.71 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 173.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.579 ' H ' ' C ' ' B' ' 61' ' ' LEU . 46.9 tp10 -44.27 -21.46 0.05 OUTLIER 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 110.485 -3.052 . . . . 0.0 110.861 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.69 -0.13 54.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.543 -1.348 . . . . 0.0 108.02 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.82 31.3 79.31 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.284 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.559 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 4.5 p-10 -97.95 -11.97 22.52 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.711 -1.464 . . . . 0.0 109.889 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.607 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.36 0.05 88.48 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 46.4 mt-10 -124.38 141.99 51.64 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.11 134.74 33.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 122.171 0.986 . . . . 0.0 110.997 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.469 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 11.0 t70 -87.22 158.41 19.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.4 p90 -60.05 -38.37 82.62 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.37 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -64.97 -39.61 93.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.834 -1.166 . . . . 0.0 110.63 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -68.96 -40.02 79.16 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.376 -1.452 . . . . 0.0 110.162 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 29.8 t80 -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.537 -0.727 . . . . 0.0 112.446 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.2 p -70.65 -32.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 120.86 -1.15 . . . . 0.0 111.098 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.39 -60.99 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.987 -1.071 . . . . 0.0 112.488 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tp -70.18 -40.05 74.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.897 -1.127 . . . . 0.0 112.487 -176.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 23.7 t -68.26 -40.01 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.801 -1.187 . . . . 0.0 110.038 -178.029 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.26 61.89 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.55 62.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.09 -36.28 11.58 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.673 -1.267 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -65.08 -44.32 89.26 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 118.064 -1.455 . . . . 0.0 109.634 -178.868 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 18.2 t -75.65 -43.96 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.944 -1.097 . . . . 0.0 110.283 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.38 71.71 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.655 -0.653 . . . . 0.0 110.792 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.443 -0.786 . . . . 0.0 111.121 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -60.12 -40.86 91.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 0.0 111.26 -178.053 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.41 -31.77 33.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 110.311 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -61.84 -40.04 93.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.958 . . . . 0.0 111.653 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' B' ' 90' ' ' TRP . 2.8 p90 -83.17 24.06 0.82 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.501 -1.374 . . . . 0.0 110.878 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.483 ' O ' ' O ' ' B' ' 89' ' ' PHE . 36.0 t-105 -60.09 -139.96 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.238 -0.914 . . . . 0.0 109.319 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -70.13 -9.25 54.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.966 -1.084 . . . . 0.0 108.31 179.464 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.405 ' O ' ' OXT' ' B' ' 93' ' ' SER . 32.2 p-10 -90.29 6.21 43.95 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.37 -0.831 . . . . 0.0 109.095 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 93' ' ' SER . . . . . 0.405 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 41.8 t . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.55 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -60.15 -41.93 93.79 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.828 -0.545 . . . . 0.0 109.722 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.41 -42.56 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.195 -0.94 . . . . 0.0 109.28 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.11 -39.89 87.77 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.419 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -39.08 84.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.341 -0.85 . . . . 0.0 110.451 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -59.82 -49.81 76.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.77 -1.206 . . . . 0.0 110.033 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . 0.525 ' O ' ' N ' ' C' ' 12' ' ' GLN . 59.7 tp -67.64 -51.19 52.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.739 -1.225 . . . . 0.0 109.998 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 1.0 OUTLIER -61.05 -40.21 92.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.149 -0.969 . . . . 0.0 110.12 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.7 p -78.52 -51.28 10.2 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.912 -1.118 . . . . 0.0 109.879 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' C' ' 12' ' ' GLN . 9.0 tppt? -69.96 -40.09 75.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.145 -0.972 . . . . 0.0 109.473 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . 0.525 ' N ' ' O ' ' C' ' 8' ' ' LEU . 63.5 tt0 . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.223 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -60.2 -41.48 93.05 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.73 98.45 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.723 -0.61 . . . . 0.0 109.819 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.18 -42.78 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.301 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -39.96 87.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.221 -0.925 . . . . 0.0 108.606 179.563 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -39.13 84.42 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.409 -0.807 . . . . 0.0 110.484 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . 0.465 ' HZ2' ' CG ' ' B' ' 56' ' ' LYS . 38.2 ttpt -59.95 -49.35 78.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.779 -1.201 . . . . 0.0 110.101 -178.701 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . 0.52 ' O ' ' N ' ' D' ' 12' ' ' GLN . 60.0 tp -67.94 -50.71 54.41 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.755 -1.216 . . . . 0.0 109.894 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 1.4 mm? -61.13 -40.58 94.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 110.016 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 95.8 p -78.9 -50.84 10.54 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.956 -1.09 . . . . 0.0 109.808 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' D' ' 12' ' ' GLN . 8.8 tppt? -70.02 -40.3 75.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.951 . . . . 0.0 109.424 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' D' ' 8' ' ' LEU . 63.4 tt0 . . . . . 0 N--CA 1.499 2.005 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.12 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 119.531 2.572 . . . . 0.0 119.531 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -106.38 -5.17 19.19 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.556 -0.967 . . . . 0.0 108.755 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 6' ' ' THR . 72.6 mm-40 -69.34 -51.12 40.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.297 -0.877 . . . . 0.0 109.789 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 11.1 tp -59.26 -39.88 84.23 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.191 -0.943 . . . . 0.0 109.726 -177.384 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.46 -49.53 64.46 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 122.252 1.025 . . . . 0.0 109.036 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 42.4 p -63.4 -34.25 77.31 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 121.661 -0.649 . . . . 0.0 110.518 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -49.36 -51.44 34.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 110.034 -179.062 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.583 ' CE ' HD22 ' B' ' 86' ' ' ASN . 28.0 ttt -59.98 -40.15 88.15 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.804 -1.185 . . . . 0.0 109.313 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.33 -40.97 92.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.253 -0.905 . . . . 0.0 112.065 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.47 ' OG1' ' C ' ' B' ' 3' ' ' GLU . 0.0 OUTLIER -72.74 -43.08 63.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.855 -1.153 . . . . 0.0 111.093 -177.81 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 88.4 mt -56.52 -41.27 76.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.534 -0.729 . . . . 0.0 109.86 -178.341 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.4 mt -78.94 -27.15 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.454 -0.779 . . . . 0.0 111.649 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.5 -40.18 95.9 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.241 -1.537 . . . . 0.0 109.443 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.46 -33.27 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 120.361 -0.535 . . . . 0.0 111.607 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -54.79 41.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 110.633 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -73.78 -23.12 59.67 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.852 -0.53 . . . . 0.0 111.32 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.17 -61.64 1.83 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.462 -1.398 . . . . 0.0 111.514 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.614 -1.304 . . . . 0.0 112.118 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 57.7 m -57.72 -20.88 37.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 111.578 -177.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.32 20.88 15.71 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.78 -46.66 52.15 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.748 -1.443 . . . . 0.0 108.406 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -145.84 13.47 1.32 Allowed 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.22 -161.2 34.9 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' TYR . 88.2 m-20 -96.55 178.12 5.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.557 -0.967 . . . . 0.0 109.82 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -46.52 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.697 0.76 . . . . 0.0 111.159 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' ASP . 57.1 m-85 41.4 65.03 0.9 Allowed 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.909 0.861 . . . . 0.0 111.325 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 31.3 tptt -139.38 139.44 37.18 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.499 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.79 152.59 19.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.499 -1.375 . . . . 0.0 109.866 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.48 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.7 p -130.9 163.18 28.02 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' SER . 62.6 tttt -47.1 -39.91 14.21 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.938 -1.102 . . . . 0.0 109.706 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -70.06 -38.81 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.425 -0.797 . . . . 0.0 111.84 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.48 ' HB2' ' H ' ' A' ' 29' ' ' SER . 31.8 mt-10 -70.12 -38.3 75.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.917 -1.114 . . . . 0.0 108.433 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.12 -50.87 71.97 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -69.16 -35.18 76.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.741 -1.224 . . . . 0.0 112.522 -176.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.29 -35.91 71.48 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.31 -1.494 . . . . 0.0 108.621 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 tp -65.96 -40.09 90.98 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.804 -0.56 . . . . 0.0 112.116 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 94.0 mt -85.02 -39.86 17.54 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.504 -1.373 . . . . 0.0 113.11 -177.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.3 pp0? -63.9 -38.83 92.53 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.803 -1.185 . . . . 0.0 110.169 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 95.6 m -72.43 -49.66 31.93 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.408 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 22.4 mp0 -82.21 -52.02 7.37 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.173 -0.954 . . . . 0.0 111.278 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -102.63 77.81 1.64 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 38' ' ' GLN . 40.3 m -86.24 -21.9 27.16 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.0 t -117.31 2.51 12.53 Favored 'General case' 0 N--CA 1.512 2.638 0 O-C-N 120.627 -1.296 . . . . 0.0 112.52 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -120.05 -45.5 2.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.826 -1.171 . . . . 0.0 109.555 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 137.65 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -122.85 157.35 32.69 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.886 -1.134 . . . . 0.0 110.292 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 30.8 m -156.53 -36.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.8 pt20 -88.11 -29.46 20.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.905 -1.122 . . . . 0.0 110.893 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.34 -40.0 92.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.818 -1.176 . . . . 0.0 108.969 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -123.55 113.25 18.47 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.261 0.553 . . . . 0.0 110.371 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.58 77.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.063 -1.023 . . . . 0.0 108.636 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -60.67 -36.74 79.47 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.49 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.918 -1.114 . . . . 0.0 110.396 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 32.9 t -69.82 -57.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.371 -0.831 . . . . 0.0 111.936 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 t0 -60.11 -42.54 94.92 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 120.581 -1.325 . . . . 0.0 111.579 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -70.14 -37.34 75.25 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.038 -1.038 . . . . 0.0 111.592 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.486 ' O ' ' N ' ' A' ' 61' ' ' LEU . 82.2 mt -81.08 -53.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.809 -1.182 . . . . 0.0 110.748 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.94 -49.19 78.66 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.78 -0.575 . . . . 0.0 111.475 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.28 -39.94 93.23 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.905 -1.122 . . . . 0.0 110.439 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -86.55 -16.9 35.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.822 -1.174 . . . . 0.0 109.54 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.629 ' C ' ' H ' ' A' ' 63' ' ' GLU . 59.7 tp -83.47 -22.12 32.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' A' ' 65' ' ' GLY . 39.0 t0 -87.88 47.54 1.52 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 173.815 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.629 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.8 tt0 -39.19 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 111.516 -2.583 . . . . 0.0 110.547 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.6 m-20 -86.73 0.76 54.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.737 -1.227 . . . . 0.0 108.189 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.5 37.35 92.0 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.916 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.483 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.7 p30 -104.15 -8.59 19.32 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.94 -1.33 . . . . 0.0 110.607 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . 0.551 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.59 -10.44 55.87 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 120.668 -1.27 . . . . 0.0 110.618 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 95.5 mt-10 -116.01 145.21 43.16 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.5 t -103.83 130.46 54.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.216 -0.928 . . . . 0.0 110.406 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -80.99 160.12 24.68 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 52.9 p90 -59.97 -38.85 83.71 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.97 -1.081 . . . . 0.0 110.023 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.497 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.0 tt0 -63.55 -40.18 96.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.012 -1.055 . . . . 0.0 111.379 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -68.55 -39.77 80.94 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.581 -1.324 . . . . 0.0 110.462 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.452 ' O ' ' CG2' ' A' ' 78' ' ' VAL . 37.9 t80 -63.77 -52.89 58.32 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.59 -0.694 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -33.89 54.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.839 -0.538 . . . . 0.0 111.826 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.9 -59.12 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.043 -1.035 . . . . 0.0 112.206 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.61 -39.91 80.63 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.648 -1.282 . . . . 0.0 112.845 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . 0.452 ' CG2' ' O ' ' A' ' 74' ' ' PHE . 21.4 m -65.02 -39.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.885 -1.135 . . . . 0.0 111.3 -177.415 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . 0.411 ' N ' ' CG2' ' A' ' 78' ' ' VAL . . . -76.07 -24.98 55.11 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.417 -0.802 . . . . 0.0 109.86 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.81 65.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.856 -1.152 . . . . 0.0 109.896 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.486 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 56.5 mt -88.19 -36.14 16.97 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.043 . . . . 0.0 110.191 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 5.3 t -66.07 -48.42 71.07 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.858 -1.151 . . . . 0.0 109.804 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.445 ' N ' ' CG2' ' A' ' 82' ' ' THR . 46.1 t -70.53 -41.59 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.768 -1.207 . . . . 0.0 109.905 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.31 -31.01 71.56 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.381 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.486 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.7 m -63.89 -40.12 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.224 -0.922 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . 0.638 HD22 ' CE ' ' B' ' 8' ' ' MET . 82.3 m-20 -70.0 -30.25 67.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.47 -0.769 . . . . 0.0 109.602 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.7 . . . . 0.0 111.027 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -80.18 -69.82 0.56 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.816 -1.178 . . . . 0.0 110.48 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 p90 177.85 27.07 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.364 -0.835 . . . . 0.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -60.0 -40.08 87.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.926 -1.109 . . . . 0.0 109.229 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.05 -16.96 64.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.85 . . . . 0.0 109.829 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.46 -18.19 63.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.224 -0.923 . . . . 0.0 108.545 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.349 179.64 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.864 0 N-CA-C 119.506 2.562 . . . . 0.0 119.506 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -106.24 -5.23 19.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.555 -0.968 . . . . 0.0 108.86 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.493 ' O ' ' OG1' ' B' ' 6' ' ' THR . 72.4 mm-40 -69.25 -51.25 39.44 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.323 -0.861 . . . . 0.0 109.612 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.9 tp -59.57 -39.62 84.67 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.77 -177.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.74 -49.04 66.24 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 122.295 1.045 . . . . 0.0 109.015 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.493 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 41.8 p -63.77 -32.61 74.17 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.63 -0.669 . . . . 0.0 110.447 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.04 61.43 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.683 0.754 . . . . 0.0 109.992 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.638 ' CE ' HD22 ' A' ' 86' ' ' ASN . 27.9 ttt -60.09 -40.1 88.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.921 -1.112 . . . . 0.0 108.938 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.06 -41.82 93.2 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.315 -0.866 . . . . 0.0 111.879 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.478 ' OG1' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -72.33 -43.45 64.11 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.889 -1.132 . . . . 0.0 111.171 -177.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 88.2 mt -56.06 -41.06 74.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.609 -0.682 . . . . 0.0 110.119 -178.271 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.2 mt -78.38 -29.67 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 0.0 111.233 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.34 -40.02 89.18 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 120.486 -1.384 . . . . 0.0 109.521 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 m -84.98 -33.46 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.692 -0.63 . . . . 0.0 111.361 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -54.57 44.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 110.522 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.9 -22.61 59.64 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -61.8 1.79 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.454 -1.404 . . . . 0.0 111.409 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.98 -39.93 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.62 -1.3 . . . . 0.0 112.074 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 60.1 m -57.82 -20.35 35.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.992 . . . . 0.0 111.582 -177.809 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.42 20.52 15.83 Favored Glycine 0 N--CA 1.5 2.915 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.67 -46.96 51.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.697 -1.472 . . . . 0.0 108.442 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -145.44 13.5 1.39 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.72 -161.26 35.41 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' B' ' 26' ' ' TYR . 88.6 m-20 -96.59 178.55 5.3 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.607 -0.937 . . . . 0.0 109.756 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -46.87 94.36 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.707 0.765 . . . . 0.0 111.005 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' B' ' 24' ' ' ASP . 57.7 m-85 41.32 65.19 0.87 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.941 0.877 . . . . 0.0 111.316 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.502 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 31.6 tptt -139.47 139.77 37.09 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 176.705 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.3 mm? -98.24 152.33 19.52 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.542 -1.349 . . . . 0.0 109.864 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.472 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 79.3 p -130.39 163.6 26.55 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -47.69 -40.17 19.39 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 109.713 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.459 ' HZ3' ' CB ' ' B' ' 31' ' ' LYS . 8.3 ttpm? -70.04 -38.05 75.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.855 . . . . 0.0 112.008 -179.496 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.472 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.0 mt-10 -70.21 -38.76 75.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.82 -1.175 . . . . 0.0 108.473 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.99 -51.06 71.29 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -68.82 -35.52 77.09 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.644 -1.285 . . . . 0.0 112.607 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -71.0 -35.54 72.11 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.342 -1.474 . . . . 0.0 108.888 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 56.4 tp -66.34 -40.06 89.61 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.783 -0.573 . . . . 0.0 112.104 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 95.9 mt -84.8 -40.21 17.47 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.601 -1.312 . . . . 0.0 113.081 -177.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.483 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.3 pp0? -63.72 -38.59 91.66 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 110.238 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.483 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.4 m -72.67 -50.0 27.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.243 -177.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 22.8 mp0 -81.91 -52.01 7.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.129 -0.982 . . . . 0.0 111.3 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.6 77.8 1.65 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.164 -0.96 . . . . 0.0 108.912 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.455 ' OG ' ' O ' ' B' ' 38' ' ' GLN . 47.5 m -86.14 -21.73 27.43 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.063 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -118.1 3.22 12.08 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.748 -1.22 . . . . 0.0 112.392 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -120.38 -45.17 2.44 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.778 -1.201 . . . . 0.0 109.582 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.14 137.7 47.53 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -123.09 156.76 34.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.746 -1.221 . . . . 0.0 110.224 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.531 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 29.1 m -155.87 -36.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -88.39 -29.41 20.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.92 -179.035 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.62 -39.97 93.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.799 -1.188 . . . . 0.0 108.869 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -123.35 113.32 18.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.252 0.549 . . . . 0.0 110.295 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.05 75.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.077 -1.015 . . . . 0.0 108.63 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -61.09 -36.33 79.38 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.3 79.56 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.914 -1.116 . . . . 0.0 110.75 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 25.8 t -71.75 -57.63 6.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.153 -0.967 . . . . 0.0 111.823 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -60.26 -42.49 95.48 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.663 -1.273 . . . . 0.0 111.438 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.465 ' CG ' ' HZ2' ' D' ' 7' ' ' LYS . 6.0 mptp? -70.27 -37.05 74.79 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.153 -0.967 . . . . 0.0 111.774 -177.779 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' B' ' 61' ' ' LEU . 81.6 mt -81.16 -53.91 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.675 -1.266 . . . . 0.0 110.704 -177.389 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.93 -48.8 80.2 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.675 -0.641 . . . . 0.0 111.483 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -65.9 -39.6 90.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.961 -1.087 . . . . 0.0 110.429 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.63 -17.05 34.82 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.822 -1.174 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.655 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.8 tp -83.36 -21.98 32.94 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.643 ' O ' ' N ' ' B' ' 65' ' ' GLY . 38.8 t0 -88.27 47.88 1.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.655 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.9 tt0 -39.52 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 111.222 -2.717 . . . . 0.0 110.544 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' B' ' 62' ' ' ASP . 87.5 m-20 -86.77 0.74 54.19 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.732 -1.23 . . . . 0.0 108.203 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.643 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.87 36.21 89.3 Favored Glycine 0 N--CA 1.496 2.658 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.061 177.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.7 p30 -103.08 -8.48 20.5 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.994 -1.298 . . . . 0.0 110.557 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . 0.555 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.15 -10.05 55.11 Favored Glycine 0 N--CA 1.496 2.675 0 O-C-N 120.672 -1.268 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.571 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 95.0 mt-10 -116.42 144.25 44.54 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -101.9 130.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 O-C-N 121.231 -0.918 . . . . 0.0 110.704 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.502 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 94.9 m-20 -81.27 160.11 24.32 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.2 p90 -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 110.06 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.487 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -63.52 -40.21 96.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.026 -1.046 . . . . 0.0 111.473 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -68.41 -40.05 81.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.6 -1.313 . . . . 0.0 110.343 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.436 ' O ' ' CG2' ' B' ' 78' ' ' VAL . 36.2 t80 -63.83 -52.54 59.67 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.574 -0.704 . . . . 0.0 112.466 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.01 -34.58 56.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.694 -0.629 . . . . 0.0 111.641 -177.332 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.48 -59.44 3.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 120.968 -1.083 . . . . 0.0 112.238 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.07 -40.09 82.81 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.664 -1.272 . . . . 0.0 112.927 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . 0.436 ' CG2' ' O ' ' B' ' 74' ' ' PHE . 18.6 m -65.54 -38.24 81.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 120.84 -1.162 . . . . 0.0 111.458 -177.342 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . 0.41 ' N ' ' CG2' ' B' ' 78' ' ' VAL . . . -76.69 -25.19 53.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.303 -0.873 . . . . 0.0 109.839 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.78 -1.2 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.495 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 63.2 mt -94.02 -35.44 12.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.913 -1.117 . . . . 0.0 109.354 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.445 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 5.2 t -66.46 -48.09 71.02 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.609 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.445 ' N ' ' CG2' ' B' ' 82' ' ' THR . 46.3 t -71.05 -41.68 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.832 -1.167 . . . . 0.0 109.919 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.26 71.72 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.385 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.495 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 57.1 m -63.61 -40.11 96.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.917 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . 0.583 HD22 ' CE ' ' A' ' 8' ' ' MET . 82.3 m-20 -70.01 -30.38 67.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.609 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -59.98 -40.09 87.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.638 -0.664 . . . . 0.0 110.927 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -79.95 -70.01 0.55 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.782 -1.199 . . . . 0.0 110.439 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 p90 177.62 27.17 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.368 -0.832 . . . . 0.0 109.987 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -59.94 -39.95 87.27 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.979 -1.075 . . . . 0.0 109.301 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.43 -16.87 64.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.346 -0.846 . . . . 0.0 109.566 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -69.42 -18.48 63.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 108.531 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 118.15 -0.928 . . . . 0.0 109.29 179.795 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . 0.41 ' H2 ' ' H ' ' C' ' 2' ' ' LYS . 93.9 mttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . 0.41 ' H ' ' H2 ' ' C' ' 1' ' ' LYS . 46.0 mttm -60.65 -41.53 95.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.131 -0.98 . . . . 0.0 108.802 -179.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.24 99.04 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.856 -0.527 . . . . 0.0 109.877 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.61 -44.83 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.725 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -67.1 -35.26 79.4 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.855 . . . . 0.0 109.805 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -60.04 -39.93 87.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.065 -1.022 . . . . 0.0 110.223 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -64.5 -49.03 72.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.85 -1.156 . . . . 0.0 110.196 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 56.3 tp -70.06 -42.78 72.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.365 -0.835 . . . . 0.0 110.957 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.74 -39.99 84.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.997 -1.065 . . . . 0.0 109.13 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -66.45 -40.4 89.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 0.0 109.326 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -67.18 -40.01 86.52 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.449 -0.782 . . . . 0.0 109.637 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.543 -179.327 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -60.04 -41.74 92.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.157 -0.965 . . . . 0.0 108.915 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.61 99.2 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.294 0.568 . . . . 0.0 109.928 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.31 -44.87 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.724 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -67.3 -35.28 79.12 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.307 -0.871 . . . . 0.0 109.692 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -59.99 -40.05 87.82 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.191 -0.943 . . . . 0.0 110.19 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.4 -49.21 72.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.767 -1.208 . . . . 0.0 110.134 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.04 -42.77 72.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.392 -0.818 . . . . 0.0 110.856 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.64 -39.94 84.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.998 -1.063 . . . . 0.0 109.189 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 14.5 t -66.45 -40.28 89.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -67.4 -40.0 85.57 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.419 -0.8 . . . . 0.0 109.63 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.466 -179.373 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.469 2.547 . . . . 0.0 119.469 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -109.17 -1.85 18.44 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.404 -1.056 . . . . 0.0 109.45 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 68.5 mm-40 -63.87 -57.54 9.51 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.05 -1.031 . . . . 0.0 111.109 -178.262 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 17.6 tp -59.92 -34.22 72.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.19 -0.944 . . . . 0.0 109.606 -178.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.93 -44.47 94.32 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.895 0.855 . . . . 0.0 108.809 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 26.7 p -67.49 -30.41 70.09 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.521 -0.737 . . . . 0.0 109.28 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -55.09 -47.74 74.53 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.556 -0.715 . . . . 0.0 109.503 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.454 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 27.9 ttt -59.96 -39.95 87.37 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.968 -1.082 . . . . 0.0 108.97 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.93 -39.97 93.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.426 -0.796 . . . . 0.0 110.563 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 14.9 p -67.69 -44.86 76.77 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.483 -0.76 . . . . 0.0 111.212 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 89.8 mt -59.91 -40.06 87.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 110.379 -179.117 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.79 -30.68 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.341 -0.849 . . . . 0.0 112.636 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -65.21 -39.92 93.45 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.95 -1.719 . . . . 0.0 108.799 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 24.2 m -78.05 -38.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.134 -179.672 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -60.06 -49.49 77.44 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.167 -0.958 . . . . 0.0 110.658 -179.292 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -76.46 -24.62 53.87 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.472 -0.768 . . . . 0.0 111.742 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.19 -63.7 1.36 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.399 -1.438 . . . . 0.0 110.896 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.535 -1.353 . . . . 0.0 110.169 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 17.0 m -66.24 -7.81 20.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.492 -0.755 . . . . 0.0 110.901 -178.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.0 15.21 60.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -76.06 0.48 Allowed 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 85.5 tt0 -127.97 70.88 1.35 Allowed 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.98 -168.4 24.85 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -87.06 156.17 19.85 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -51.88 -35.71 46.13 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 118.671 -1.212 . . . . 0.0 108.835 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.75 17.68 12.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.8 -1.187 . . . . 0.0 113.926 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -141.56 148.05 38.69 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 121.161 1.801 . . . . 0.0 110.169 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.7 mm? -96.09 165.01 12.45 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.931 0.872 . . . . 0.0 110.662 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.409 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 98.8 p -127.4 160.49 31.26 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -49.46 -40.64 37.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.801 -1.187 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 18.4 tptm -70.64 -30.4 67.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.2 -0.938 . . . . 0.0 111.192 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.458 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 94.3 mt-10 -77.19 -35.36 55.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.73 -1.232 . . . . 0.0 108.887 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.99 -43.96 94.13 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.65 -0.656 . . . . 0.0 110.981 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.537 ' CB ' ' HZ1' ' A' ' 34' ' ' LYS . 9.2 mtpm? -65.21 -42.49 93.46 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -0.88 . . . . 0.0 112.453 -177.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 12.2 p-10 -75.36 -27.38 59.13 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 109.612 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.1 -40.09 94.08 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.54 -0.725 . . . . 0.0 112.226 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 mt -86.28 -35.09 20.15 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.646 -1.284 . . . . 0.0 113.218 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' CD ' ' NE2' ' A' ' 48' ' ' GLN . 6.8 pt20 -69.19 -36.89 77.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.418 -1.426 . . . . 0.0 110.569 -177.658 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.9 m -72.43 -49.91 30.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.654 -0.654 . . . . 0.0 112.077 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -86.02 -47.88 9.18 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.01 -1.056 . . . . 0.0 111.001 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -105.38 70.83 0.9 Allowed 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.6 p -80.02 -23.55 41.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.792 -0.568 . . . . 0.0 112.323 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -105.75 4.16 29.64 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.872 -1.142 . . . . 0.0 111.897 -177.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -125.57 -66.67 0.93 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.892 -1.13 . . . . 0.0 109.902 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.539 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.5 mm? -83.64 134.53 34.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.183 -0.948 . . . . 0.0 108.775 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -115.5 150.05 37.13 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.905 ' H ' ' HZ2' ' A' ' 49' ' ' LYS . 2.8 m -151.52 -36.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . 0.597 ' H ' ' NZ ' ' A' ' 49' ' ' LYS . 64.7 mt-30 -77.87 -51.81 9.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.873 -0.517 . . . . 0.0 111.86 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . 0.905 ' HZ2' ' H ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -67.76 -39.97 84.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.667 -1.271 . . . . 0.0 109.88 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -100.09 94.54 6.3 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.129 -0.982 . . . . 0.0 109.987 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.0 75.39 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.01 -40.08 88.01 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.9 -54.54 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.859 . . . . 0.0 112.043 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 61.4 t0 -60.08 -40.04 88.17 Favored 'General case' 0 C--N 1.288 -2.084 0 O-C-N 120.402 -1.436 . . . . 0.0 110.766 -177.363 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 6.0 mptp? -70.23 -36.23 74.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.089 -1.007 . . . . 0.0 111.938 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.529 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.3 pp -82.37 -53.36 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 119.974 -1.704 . . . . 0.0 109.654 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -59.93 -48.24 82.51 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.354 -0.841 . . . . 0.0 112.317 -176.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.74 -40.01 84.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.471 -1.393 . . . . 0.0 110.766 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 25.0 mp0 -89.51 -16.9 29.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.796 -1.19 . . . . 0.0 110.494 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.598 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.2 tp -78.73 -18.27 54.52 Favored 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.546 ' O ' ' N ' ' A' ' 65' ' ' GLY . 11.4 m-20 -91.27 40.32 1.03 Allowed 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 174.682 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.598 ' H ' ' C ' ' A' ' 61' ' ' LEU . 83.0 tt0 -39.11 -19.74 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 112.167 -2.288 . . . . 0.0 110.505 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 62' ' ' ASP . 96.9 m-20 -87.59 -5.35 58.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.669 -1.269 . . . . 0.0 108.669 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.546 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 84.24 33.15 21.09 Favored Glycine 0 N--CA 1.482 1.718 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.664 ' C ' ' H ' ' A' ' 68' ' ' GLU . 65.7 m-20 -106.31 115.94 31.08 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.74 9.02 0.46 Allowed Glycine 0 C--N 1.281 -2.495 0 C-N-CA 117.642 -2.218 . . . . 0.0 109.035 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.664 ' H ' ' C ' ' A' ' 66' ' ' ASP . 36.8 mp0 -120.07 139.98 51.71 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.05 130.01 51.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 122.209 1.004 . . . . 0.0 111.339 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -79.92 162.39 25.0 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 47.0 p90 -60.02 -39.35 85.57 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.098 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.465 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 61.1 tt0 -66.42 -40.0 89.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 0.0 110.281 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.39 -40.12 74.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.712 -1.242 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -70.49 -39.68 74.05 Favored 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.252 -0.905 . . . . 0.0 111.797 -178.226 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 10.5 p -69.83 -33.62 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.254 -0.904 . . . . 0.0 111.004 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.3 t -68.93 -59.43 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.908 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.71 -50.71 48.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.872 -1.143 . . . . 0.0 112.355 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -60.1 -39.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.844 -1.16 . . . . 0.0 110.897 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.63 27.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.4 mt -63.84 -25.87 68.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.407 -0.808 . . . . 0.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.471 ' CG2' ' SD ' ' B' ' 8' ' ' MET . 86.9 m -63.04 -55.34 26.44 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.598 -0.689 . . . . 0.0 110.932 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -80.45 -37.87 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.009 -1.057 . . . . 0.0 110.824 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' ' 87' ' ' ASN . . . -59.93 -39.78 86.69 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.435 0.636 . . . . 0.0 110.307 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 91.3 m -70.31 -39.97 74.49 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.1 -50.06 75.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.14 -0.975 . . . . 0.0 111.763 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 20.3 p-10 -71.42 -33.72 69.67 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.93 -1.106 . . . . 0.0 110.449 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 90' ' ' TRP . 66.9 t80 -60.03 -39.97 87.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.08 -1.012 . . . . 0.0 110.079 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.45 94.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.153 -0.967 . . . . 0.0 108.794 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' PHE . 86.5 t90 -68.75 -33.92 74.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.604 -0.685 . . . . 0.0 109.861 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.502 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 8.4 pm0 -64.15 -0.82 1.3 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 110.655 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -79.13 4.56 14.34 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.038 -1.039 . . . . 0.0 109.0 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.639 -179.769 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.298 2.479 . . . . 0.0 119.298 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -109.27 -2.2 18.07 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.328 -1.101 . . . . 0.0 109.31 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.466 ' O ' ' OG1' ' B' ' 6' ' ' THR . 67.7 mm-40 -63.45 -57.64 9.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.971 -1.08 . . . . 0.0 111.163 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 19.0 tp -59.99 -34.31 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 -178.069 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.64 -44.78 93.39 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.96 0.886 . . . . 0.0 108.96 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.466 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.3 p -67.34 -28.99 68.43 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.468 -0.77 . . . . 0.0 109.233 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.457 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -57.12 -46.51 82.58 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.36 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 82' ' ' THR . 28.0 ttt -60.09 -39.74 87.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.97 -40.07 94.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.369 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.5 p -67.93 -44.63 76.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.246 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 87.6 mt -59.95 -40.08 87.75 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.266 -0.896 . . . . 0.0 110.41 -179.078 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.56 -34.42 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.441 -0.787 . . . . 0.0 112.134 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -62.13 -39.94 94.25 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 120.174 -1.579 . . . . 0.0 108.913 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 24.0 m -78.88 -37.59 20.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.133 -179.381 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . 0.453 ' O ' ' OG ' ' B' ' 19' ' ' SER . 64.9 t80 -60.0 -49.65 76.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.945 . . . . 0.0 110.608 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -76.54 -24.53 53.64 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.69 . . . . 0.0 111.62 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.94 1.3 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.422 -1.424 . . . . 0.0 110.863 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -60.06 -39.92 87.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.63 -1.293 . . . . 0.0 110.143 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.453 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 18.7 m -66.12 -7.97 20.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.498 -0.751 . . . . 0.0 110.987 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.01 15.29 60.76 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -76.05 0.48 Allowed 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . 0.428 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 85.7 tt0 -127.84 70.91 1.34 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.24 -168.57 25.39 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -86.91 156.07 19.98 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -51.65 -35.76 43.53 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.717 -1.193 . . . . 0.0 108.847 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -119.81 17.7 12.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.937 -1.102 . . . . 0.0 113.955 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -141.46 148.16 39.04 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 119.871 -1.768 . . . . 0.0 110.131 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . 0.473 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.7 mm? -96.28 164.72 12.54 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.989 0.899 . . . . 0.0 110.661 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.421 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 95.6 p -127.04 160.61 30.61 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -49.69 -40.32 39.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.78 -1.2 . . . . 0.0 110.346 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . 0.419 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 19.1 tptm -71.1 -29.98 65.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.044 -1.035 . . . . 0.0 111.254 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.464 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 94.1 mt-10 -77.4 -34.94 54.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.636 -1.29 . . . . 0.0 108.851 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.47 -43.63 93.6 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.686 -0.634 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . 0.4 ' HB3' ' HZ2' ' B' ' 34' ' ' LYS . 9.0 mtpm? -65.47 -42.16 92.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.213 -0.929 . . . . 0.0 112.545 -177.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 12.2 p-10 -75.49 -27.49 58.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.579 -1.326 . . . . 0.0 109.542 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.03 -40.0 94.2 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.541 -0.724 . . . . 0.0 112.163 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -86.12 -35.96 19.88 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.615 -1.303 . . . . 0.0 113.17 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.465 ' CD ' ' NE2' ' B' ' 48' ' ' GLN . 6.7 pt20 -68.27 -37.11 80.38 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.543 -1.348 . . . . 0.0 110.57 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -72.48 -49.97 29.31 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.629 -0.669 . . . . 0.0 112.28 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -86.05 -47.68 9.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.058 -1.027 . . . . 0.0 110.91 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -105.53 70.78 0.89 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -80.06 -23.34 41.44 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -105.75 3.87 29.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.91 -1.119 . . . . 0.0 111.927 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.45 -66.5 0.95 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.995 -1.066 . . . . 0.0 109.929 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.5 mm? -83.7 134.45 34.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.142 -0.974 . . . . 0.0 108.707 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -115.46 150.01 37.16 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.838 ' H ' ' HZ1' ' B' ' 49' ' ' LYS . 2.8 m -151.54 -36.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . 0.586 ' H ' ' NZ ' ' B' ' 49' ' ' LYS . 65.6 mt-30 -77.86 -51.59 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.787 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.838 ' HZ1' ' H ' ' B' ' 47' ' ' VAL . 0.0 OUTLIER -67.81 -40.1 83.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.726 -1.234 . . . . 0.0 109.851 -179.196 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -99.95 94.58 6.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.181 -0.95 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -36.79 74.96 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.35 -39.97 89.05 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.85 81.04 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.381 -0.824 . . . . 0.0 110.97 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.04 -54.33 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 111.786 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 61.5 t0 -59.98 -40.07 87.83 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.512 -1.367 . . . . 0.0 110.745 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.447 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 5.9 mptp? -70.25 -36.58 74.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 0.0 111.779 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.4 pp -82.05 -53.4 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 119.969 -1.707 . . . . 0.0 109.698 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.06 -48.16 82.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.251 -0.906 . . . . 0.0 112.255 -176.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -67.63 -39.99 84.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.458 -1.401 . . . . 0.0 110.767 -178.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 25.2 mp0 -89.6 -16.91 29.51 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.708 -1.245 . . . . 0.0 110.485 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.584 ' C ' ' H ' ' B' ' 63' ' ' GLU . 69.4 tp -78.6 -18.45 54.55 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 105.901 -1.888 . . . . 0.0 105.901 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 64' ' ' ASN . 11.3 m-20 -91.06 40.0 1.01 Allowed 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 174.715 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.584 ' H ' ' C ' ' B' ' 61' ' ' LEU . 80.2 tt0 -38.9 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 62' ' ' ASP . 96.6 m-20 -87.53 -5.53 58.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.62 -1.3 . . . . 0.0 108.724 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.38 31.08 23.15 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.706 -1.357 . . . . 0.0 109.706 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.653 ' C ' ' H ' ' B' ' 68' ' ' GLU . 66.4 m-20 -104.76 116.08 31.42 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.04 9.25 0.49 Allowed Glycine 0 C--N 1.281 -2.516 0 C-N-CA 117.573 -2.251 . . . . 0.0 108.865 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.653 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.8 mp0 -120.01 140.77 50.46 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.144 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.41 130.37 51.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 122.158 0.98 . . . . 0.0 111.221 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -80.08 162.39 24.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.47 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 47.0 p90 -59.96 -39.42 85.53 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.393 -0.817 . . . . 0.0 110.07 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.47 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 61.3 tt0 -66.37 -40.07 89.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.878 -1.139 . . . . 0.0 110.273 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.43 -40.04 74.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.569 -1.332 . . . . 0.0 111.082 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -70.35 -39.99 74.34 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.234 -0.916 . . . . 0.0 111.816 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . 0.449 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 9.6 p -69.9 -33.11 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.188 -0.945 . . . . 0.0 111.019 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.13 -59.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.236 -0.915 . . . . 0.0 110.968 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.99 -49.76 54.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.953 -1.092 . . . . 0.0 112.488 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.68 -40.0 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.88 -1.138 . . . . 0.0 110.736 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.59 -24.41 60.07 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -58.41 6.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.049 -1.032 . . . . 0.0 108.253 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.4 -26.74 65.4 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.584 0.707 . . . . 0.0 109.759 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.454 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 87.2 m -63.21 -55.29 26.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.437 -0.79 . . . . 0.0 111.081 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -80.48 -37.72 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.083 -1.011 . . . . 0.0 110.793 -178.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . 0.44 ' O ' ' OD1' ' B' ' 87' ' ' ASN . . . -60.06 -39.52 86.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.412 0.625 . . . . 0.0 110.236 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 77.1 m -70.5 -39.97 73.82 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.21 -50.05 75.21 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.192 -0.942 . . . . 0.0 111.773 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' B' ' 84' ' ' ALA . 20.2 p-10 -71.36 -33.83 69.92 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.937 -1.102 . . . . 0.0 110.425 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' B' ' 90' ' ' TRP . 64.7 t80 -59.96 -39.99 87.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.12 -0.987 . . . . 0.0 110.194 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.34 94.86 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.065 -1.022 . . . . 0.0 108.875 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' B' ' 88' ' ' PHE . 86.3 t90 -68.67 -34.03 75.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.605 -0.684 . . . . 0.0 109.859 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . 0.505 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 8.5 pm0 -63.99 -0.89 1.25 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 110.636 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . 0.401 ' H ' ' C ' ' B' ' 90' ' ' TRP . 52.0 p-10 -79.12 4.65 14.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.885 -1.134 . . . . 0.0 109.011 -179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 118.047 -0.977 . . . . 0.0 109.612 -179.769 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 66.3 mttm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -59.98 -43.55 95.07 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.01 78.12 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 71.6 t -70.58 -29.67 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.676 -0.64 . . . . 0.0 109.902 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.26 -42.75 77.92 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.305 -0.872 . . . . 0.0 110.229 -178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -59.96 -42.92 95.12 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.947 -1.096 . . . . 0.0 110.101 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -60.3 -45.9 91.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.196 -0.94 . . . . 0.0 110.846 -179.746 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 tp -68.98 -56.73 6.89 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.977 -1.077 . . . . 0.0 111.17 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.36 -39.53 90.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.071 . . . . 0.0 110.107 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 37.9 t -60.03 -58.79 7.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.817 -1.177 . . . . 0.0 110.206 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.97 -39.99 72.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.968 -1.082 . . . . 0.0 109.924 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.563 179.478 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 66.7 mttm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -60.04 -43.9 95.02 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.76 77.07 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.2 -29.59 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.454 -0.779 . . . . 0.0 109.804 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 1.9 t-105 -56.54 -42.78 79.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.266 -0.896 . . . . 0.0 110.044 -178.174 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -60.09 -42.62 95.03 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.884 -1.135 . . . . 0.0 110.018 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -45.36 94.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 110.996 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 tp -69.43 -56.68 6.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 111.198 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.89 -39.75 90.47 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.071 -178.094 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 34.3 t -60.06 -59.22 5.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.166 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.58 -40.03 73.53 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.923 -1.111 . . . . 0.0 109.829 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.689 179.646 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.913 0 N-CA-C 119.67 2.628 . . . . 0.0 119.67 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -105.79 -10.76 16.55 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.434 -1.039 . . . . 0.0 108.69 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.494 ' O ' ' OG1' ' A' ' 6' ' ' THR . 59.1 mp0 -64.43 -50.92 65.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 12.5 tp -60.08 -40.02 88.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.335 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.08 -47.79 74.41 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.025 0.917 . . . . 0.0 108.846 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . 0.494 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.3 p -65.98 -30.13 70.63 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.474 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -59.95 -46.72 88.5 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.089 -178.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt -60.27 -43.65 96.01 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.709 -1.244 . . . . 0.0 109.785 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.64 -40.18 96.23 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.483 -0.761 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 14.3 p -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.578 -0.701 . . . . 0.0 109.934 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 56.5 mt -58.37 -35.43 71.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.368 -0.832 . . . . 0.0 110.575 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 3.2 mm -79.98 -29.35 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 120.348 -1.47 . . . . 0.0 111.342 -178.689 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -64.29 -40.49 96.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.027 -1.671 . . . . 0.0 109.635 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.0 m -81.19 -38.13 16.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.581 -0.699 . . . . 0.0 111.013 -179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.86 -50.18 74.78 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.885 -1.134 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.524 -0.735 . . . . 0.0 110.744 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.35 -64.72 1.12 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.706 -1.246 . . . . 0.0 111.048 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -65.41 -40.08 92.94 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.597 -1.314 . . . . 0.0 111.431 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 5.6 m -68.4 -14.4 62.97 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.282 -0.886 . . . . 0.0 111.141 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.46 14.09 56.66 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -84.53 -66.24 0.92 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.548 -1.56 . . . . 0.0 107.624 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -120.23 6.84 10.71 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.5 178.33 51.91 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -91.22 177.52 6.23 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -1.152 . . . . 0.0 108.062 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' C ' ' CG ' ' A' ' 26' ' ' TYR . 67.4 mttm -64.95 95.61 0.16 Allowed 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.717 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' TYR . . . . . 0.455 ' CG ' ' C ' ' A' ' 25' ' ' LYS . 4.6 m-85 75.2 29.94 0.9 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -133.34 138.71 46.47 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.266 -1.521 . . . . 0.0 107.032 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 7.4 tp -95.0 157.42 15.9 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' SER . . . . . 0.453 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 45.9 t -136.54 165.77 25.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.467 -0.77 . . . . 0.0 109.865 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -47.72 -47.91 29.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.308 -0.87 . . . . 0.0 111.66 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 pttm -70.86 -26.02 63.07 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.414 -1.429 . . . . 0.0 111.629 -178.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.453 ' HB2' ' H ' ' A' ' 29' ' ' SER . 33.1 mt-10 -74.61 -39.03 62.41 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.936 -1.102 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.08 -36.67 58.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 111.0 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.15 -41.32 92.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.625 -1.297 . . . . 0.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 54.1 t0 -79.39 -31.91 42.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.269 -0.894 . . . . 0.0 110.97 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 47.4 tp -66.21 -39.96 89.99 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.428 -0.795 . . . . 0.0 112.944 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp -86.05 -40.11 16.1 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.568 -1.333 . . . . 0.0 113.166 -178.19 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' CG ' ' N ' ' A' ' 39' ' ' THR . 2.9 pt20 -64.81 -40.98 96.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.425 -1.422 . . . . 0.0 110.823 -177.598 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -70.74 -40.38 72.77 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.294 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 26.7 mp0 -95.02 -15.41 23.51 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.028 -1.045 . . . . 0.0 111.482 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.81 75.55 1.58 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.126 -0.984 . . . . 0.0 108.801 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 43' ' ' SER . 58.3 p -85.25 141.58 30.01 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.35 0.595 . . . . 0.0 109.395 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.7 OUTLIER 73.17 -2.77 2.63 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.466 -0.771 . . . . 0.0 110.929 179.016 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -109.14 -67.09 1.0 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.135 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.492 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.4 mm? -97.93 140.2 32.63 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -124.87 153.3 42.81 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 109.098 -179.05 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.3 m -158.21 -35.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -86.8 -20.96 26.8 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.315 -0.865 . . . . 0.0 110.198 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.61 -38.93 81.0 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -128.64 118.84 23.61 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.701 -0.624 . . . . 0.0 110.207 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -26.69 64.42 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.1 m-20 -68.41 -26.12 65.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 108.779 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.11 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.114 -0.991 . . . . 0.0 110.412 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 10.5 t -69.65 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 112.331 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 20.8 p-10 -63.74 -40.06 95.82 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 120.7 -1.25 . . . . 0.0 111.05 -177.304 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 68.3 mttm -70.02 -38.84 76.01 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.198 -0.939 . . . . 0.0 111.655 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ILE . . . . . 0.525 ' O ' ' N ' ' A' ' 61' ' ' LEU . 80.2 mt -82.04 -55.61 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.149 -0.969 . . . . 0.0 110.496 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' MET . . . . . 0.408 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.1 tmt? -60.39 -43.99 96.09 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.731 -0.606 . . . . 0.0 112.029 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.42 -36.37 78.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.401 -1.437 . . . . 0.0 109.136 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.99 -16.29 36.19 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.428 -0.795 . . . . 0.0 109.501 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.634 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.7 tp -85.07 -18.03 35.58 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 65' ' ' GLY . 6.9 m-20 -91.81 40.57 1.04 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.266 -2.864 . . . . 0.0 103.266 173.775 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.634 ' H ' ' C ' ' A' ' 61' ' ' LEU . 11.5 pt-20 -36.87 -20.59 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 111.705 -2.498 . . . . 0.0 110.939 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 62' ' ' ASP . 97.5 m-20 -85.02 5.88 27.55 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.03 35.95 78.97 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ASP . . . . . 0.442 ' C ' ' H ' ' A' ' 68' ' ' GLU . 42.7 p-10 -101.73 -16.42 16.66 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.079 -1.247 . . . . 0.0 110.595 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.9 -13.63 13.03 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLU . . . . . 0.442 ' H ' ' C ' ' A' ' 66' ' ' ASP . 99.4 mt-10 -107.86 133.64 51.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.13 139.71 21.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 O-C-N 121.461 -0.774 . . . . 0.0 110.581 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' GLN . 91.5 m-20 -97.62 122.73 41.03 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.365 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.4 p90 -27.43 -37.18 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLN . . . . . 0.555 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.1 tt0 -60.17 -42.08 94.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.87 -1.144 . . . . 0.0 109.813 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.5 mt-10 -66.51 -40.11 89.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.054 -1.029 . . . . 0.0 109.79 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.12 -40.14 88.67 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.37 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -71.53 -36.27 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.952 -1.092 . . . . 0.0 111.514 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.03 -58.46 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.061 . . . . 0.0 111.233 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.06 -44.26 69.52 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.064 -1.023 . . . . 0.0 113.017 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.07 -39.79 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 120.564 -1.335 . . . . 0.0 110.616 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.91 -26.67 49.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.109 -0.994 . . . . 0.0 110.227 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.07 67.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.768 -1.207 . . . . 0.0 109.137 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.504 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 24.6 mt -93.15 -25.12 18.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.587 -0.695 . . . . 0.0 109.977 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -69.7 -53.03 20.49 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.016 -178.561 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' N ' ' CG2' ' A' ' 82' ' ' THR . 2.2 t -73.86 -39.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.8 -1.187 . . . . 0.0 109.611 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.14 76.32 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.465 -0.772 . . . . 0.0 109.593 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.8 m -63.41 -40.02 96.06 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.167 -0.958 . . . . 0.0 109.383 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -60.9 -40.04 91.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.34 -0.85 . . . . 0.0 109.379 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.19 -42.91 96.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.277 -0.889 . . . . 0.0 110.571 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -73.95 -23.45 59.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.987 -1.071 . . . . 0.0 109.975 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 51.4 78.24 0.12 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.994 -1.066 . . . . 0.0 109.683 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -58.29 -20.18 40.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.132 -0.98 . . . . 0.0 109.274 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -68.3 -6.42 23.94 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -78.76 -13.19 59.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.415 -0.803 . . . . 0.0 108.992 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.2 p . . . . . 0 C--N 1.301 -1.517 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.551 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.82 0 N-CA-C 119.397 2.519 . . . . 0.0 119.397 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -105.56 -11.09 16.51 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.593 -0.945 . . . . 0.0 108.737 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.498 ' O ' ' OG1' ' B' ' 6' ' ' THR . 58.9 mp0 -64.25 -50.86 66.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.6 tp -60.64 -39.51 88.54 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.566 -0.709 . . . . 0.0 109.827 -179.194 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.53 -47.74 75.8 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 122.172 0.987 . . . . 0.0 108.584 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' THR . . . . . 0.498 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.0 p -66.17 -29.56 69.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.75 -0.594 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ALA . . . . . 0.483 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -60.21 -45.83 91.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.344 -0.847 . . . . 0.0 109.895 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.13 -43.84 95.39 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.069 -1.019 . . . . 0.0 109.735 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.93 -40.11 95.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 110.579 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' THR . . . . . 0.483 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 12.7 p -61.63 -44.59 96.7 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 109.854 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 74.6 mt -57.7 -35.88 71.23 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.585 -0.697 . . . . 0.0 110.394 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 3.0 mm -79.61 -30.53 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 O-C-N 120.31 -1.494 . . . . 0.0 111.505 -178.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -63.11 -40.23 97.02 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.122 -1.611 . . . . 0.0 109.655 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 2.4 m -81.96 -37.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.46 -0.775 . . . . 0.0 110.896 -179.221 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 110.852 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -72.46 -22.39 61.08 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.588 -0.695 . . . . 0.0 110.559 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -65.0 1.06 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.671 -1.268 . . . . 0.0 111.062 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -65.15 -39.9 93.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.655 -1.278 . . . . 0.0 111.424 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 m -68.55 -14.35 62.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -0.915 . . . . 0.0 111.013 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.36 13.54 56.93 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -84.23 -65.92 0.95 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.543 -1.563 . . . . 0.0 107.679 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -120.62 7.02 10.51 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.56 178.7 51.64 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.126 -1.189 . . . . 0.0 110.126 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -91.26 177.9 6.12 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.226 -1.161 . . . . 0.0 108.013 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' C ' ' CG ' ' B' ' 26' ' ' TYR . 68.0 mttm -65.04 95.4 0.16 Allowed 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.074 -1.016 . . . . 0.0 109.639 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' CG ' ' C ' ' B' ' 25' ' ' LYS . 4.6 m-85 74.95 30.04 0.95 Allowed 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' LYS . . . . . 0.485 ' HZ2' ' CB ' ' B' ' 68' ' ' GLU . 3.0 tptp -133.3 138.51 46.44 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.257 -1.527 . . . . 0.0 107.073 176.626 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -94.98 157.68 15.79 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' SER . . . . . 0.438 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 42.0 t -137.13 165.05 26.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.416 -0.802 . . . . 0.0 109.926 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -46.65 -48.32 19.98 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.287 -0.883 . . . . 0.0 111.757 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 23.8 pttm -71.22 -24.97 62.3 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.368 -1.458 . . . . 0.0 111.746 -178.309 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' GLU . . . . . 0.438 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.6 mt-10 -75.18 -38.89 60.67 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -75.81 -36.98 59.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.424 -0.798 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.755 -1.216 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.3 t0 -79.78 -31.67 40.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.291 -0.88 . . . . 0.0 110.789 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.473 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.7 tp -66.27 -40.0 89.81 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 112.912 -177.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 2.7 pp -86.05 -40.05 16.16 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.413 -1.429 . . . . 0.0 113.12 -178.076 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLN . . . . . 0.437 ' CG ' ' N ' ' B' ' 39' ' ' THR . 3.0 pt20 -64.77 -40.94 96.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.605 -1.31 . . . . 0.0 110.724 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -70.79 -40.04 72.8 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.541 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 26.2 mp0 -95.29 -15.65 23.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.074 -1.016 . . . . 0.0 111.399 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -134.77 75.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.949 -1.095 . . . . 0.0 108.983 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 43' ' ' SER . 52.3 p -85.51 141.4 29.92 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.39 0.614 . . . . 0.0 109.524 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.7 OUTLIER 73.38 -2.86 2.62 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.66 -0.65 . . . . 0.0 110.777 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -109.05 -67.43 0.98 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.185 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -97.77 140.08 32.69 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 -124.55 153.7 41.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.874 -1.141 . . . . 0.0 109.27 -179.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 15.3 m -158.47 -36.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -86.88 -20.53 27.29 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.76 -39.13 80.41 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -128.83 119.4 24.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.503 -0.748 . . . . 0.0 109.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.25 64.08 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.78 -25.71 64.84 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 108.911 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -38.63 66.4 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.267 -0.896 . . . . 0.0 110.726 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 54' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 11.5 t -70.75 -55.57 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.895 . . . . 0.0 112.02 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 55' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 20.4 p-10 -63.9 -40.05 95.6 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 120.805 -1.184 . . . . 0.0 111.09 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 56' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 68.7 mttm -69.94 -38.62 76.22 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 111.836 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 57' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' B' ' 61' ' ' LEU . 85.3 mt -82.21 -55.37 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.195 -0.94 . . . . 0.0 110.399 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -45.06 94.05 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.693 -0.629 . . . . 0.0 112.102 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.9 -36.22 79.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.647 -1.283 . . . . 0.0 109.087 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -87.28 -16.2 35.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.372 -0.83 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 61' ' ' LEU . . . . . 0.629 ' C ' ' H ' ' B' ' 63' ' ' GLU . 52.3 tp -84.93 -18.44 34.62 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 62' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' B' ' 65' ' ' GLY . 7.9 m-20 -91.55 40.72 1.04 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 103.38 -2.822 . . . . 0.0 103.38 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 63' ' ' GLU . . . . . 0.629 ' H ' ' C ' ' B' ' 61' ' ' LEU . 11.5 pt-20 -37.0 -20.55 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 111.688 -2.505 . . . . 0.0 110.907 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 64' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 62' ' ' ASP . 97.7 m-20 -84.83 5.23 29.55 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 65' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 58.75 34.92 79.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 66' ' ' ASP . . . . . 0.437 ' C ' ' H ' ' B' ' 68' ' ' GLU . 43.0 p-10 -100.7 -16.64 17.3 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.008 -1.289 . . . . 0.0 110.402 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.98 -12.54 11.23 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 68' ' ' GLU . . . . . 0.485 ' CB ' ' HZ2' ' B' ' 27' ' ' LYS . 99.4 mt-10 -107.52 135.86 48.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.1 t -102.24 140.14 21.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 O-C-N 121.249 -0.907 . . . . 0.0 110.381 -177.67 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.4 m-20 -97.88 122.79 41.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.525 -0.734 . . . . 0.0 109.332 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.8 p90 -27.21 -37.45 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 72' ' ' GLN . . . . . 0.55 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.3 tt0 -60.04 -41.88 93.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.912 -1.118 . . . . 0.0 110.013 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 73' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.6 mt-10 -66.79 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.965 . . . . 0.0 109.698 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.58 -36.4 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.006 -1.059 . . . . 0.0 111.352 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.94 -58.47 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.877 -1.139 . . . . 0.0 111.27 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 tt -70.01 -44.47 69.25 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.896 -1.127 . . . . 0.0 112.878 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.33 -39.35 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.612 -1.305 . . . . 0.0 110.579 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.15 -26.69 47.89 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.044 -1.035 . . . . 0.0 110.227 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -21.71 66.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.744 -1.223 . . . . 0.0 109.702 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 81' ' ' LEU . . . . . 0.487 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 23.6 mt -96.16 -25.05 15.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.419 -0.8 . . . . 0.0 109.701 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 82' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -69.76 -52.66 23.38 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.91 -178.33 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 83' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 82' ' ' THR . 2.2 t -74.41 -39.14 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.812 -1.18 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.73 75.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.21 -0.931 . . . . 0.0 109.738 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 85' ' ' CYS . . . . . 0.487 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 56.1 m -63.19 -39.82 95.74 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.463 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -61.12 -40.09 92.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.398 -0.814 . . . . 0.0 109.595 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -59.91 -43.52 94.83 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.528 -0.732 . . . . 0.0 110.528 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -73.79 -23.46 59.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.972 -1.08 . . . . 0.0 109.996 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 51.16 78.62 0.11 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.128 -0.982 . . . . 0.0 109.747 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -58.48 -20.06 42.23 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.006 -1.059 . . . . 0.0 109.333 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -68.79 -6.25 25.56 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -78.69 -13.22 59.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.302 -1.49 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.531 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.274 0.559 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.61 -50.17 74.93 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 110.271 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.462 HD22 HD11 ' A' ' 57' ' ' ILE . 55.9 tp -61.17 -49.98 75.03 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 110.973 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.1 mp -68.66 -39.96 80.42 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.155 -0.966 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 N--CA 1.489 1.48 0 O-C-N 120.99 -1.069 . . . . 0.0 109.075 179.427 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.265 0.555 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -59.84 -49.98 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.184 -0.947 . . . . 0.0 110.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.427 HD22 HD11 ' B' ' 57' ' ' ILE . 54.9 tp -61.3 -49.99 74.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.097 -1.002 . . . . 0.0 110.887 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 9' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.1 mp -68.6 -39.98 80.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.187 -0.945 . . . . 0.0 109.561 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.106 179.379 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 6' ' ' THR . 96.9 mt-10 -64.87 -54.99 22.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.758 -0.589 . . . . 0.0 111.055 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.441 ' CG ' HG11 ' B' ' 14' ' ' VAL . 78.5 mt -58.0 -39.66 78.82 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.873 -1.142 . . . . 0.0 111.019 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -53.72 -44.42 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.715 -1.24 . . . . 0.0 108.592 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.5 p -70.58 -34.88 72.68 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.403 -0.811 . . . . 0.0 110.115 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.36 -52.7 60.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.347 -0.846 . . . . 0.0 110.44 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 ttt -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.768 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.41 -40.02 92.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.303 -0.873 . . . . 0.0 110.507 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 4.0 p -69.43 -46.1 67.58 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.812 0.815 . . . . 0.0 110.725 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.14 -49.68 76.67 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.762 -0.586 . . . . 0.0 112.305 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.2 mt -76.37 -39.81 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 0.0 112.438 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 119.984 -1.697 . . . . 0.0 109.895 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG11 ' CG ' ' B' ' 4' ' ' LEU . 9.8 p -80.42 -29.92 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.366 -0.834 . . . . 0.0 110.318 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.03 -53.35 58.9 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.257 -0.902 . . . . 0.0 111.361 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -80.34 -20.83 43.29 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.972 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.38 3.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.574 -1.329 . . . . 0.0 110.696 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -80.38 -25.57 39.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.681 -1.262 . . . . 0.0 111.261 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' HD21 ' A' ' 28' ' ' LEU . 20.4 m -60.38 -22.99 63.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.661 -1.274 . . . . 0.0 110.818 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.21 28.02 10.15 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.7 tptt . . . . . 0 C--N 1.304 -1.376 0 O-C-N 121.02 -1.282 . . . . 0.0 109.151 -179.454 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.7 p90 . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 141.53 35.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 175.117 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -98.05 154.36 17.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.762 -1.211 . . . . 0.0 110.651 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.456 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 70.9 m -127.59 160.97 29.95 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' SER . 34.4 ttmt -47.95 -41.16 24.28 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.213 -1.395 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -70.88 -32.6 69.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.117 -0.989 . . . . 0.0 112.193 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.3 mt-10 -76.47 -38.26 55.63 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.481 -1.387 . . . . 0.0 108.857 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.0 -50.02 75.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.723 -0.611 . . . . 0.0 112.36 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -68.99 -30.0 68.31 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.815 -1.178 . . . . 0.0 112.26 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -76.25 -35.18 59.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.621 -1.299 . . . . 0.0 109.346 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.92 -36.3 83.0 Favored 'General case' 0 C--N 1.287 -2.122 0 O-C-N 120.881 -1.137 . . . . 0.0 110.593 -178.59 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.36 -39.93 27.58 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.716 -1.24 . . . . 0.0 112.162 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -68.98 -18.3 64.04 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.647 -1.283 . . . . 0.0 108.192 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.1 m -67.74 -70.23 0.27 Allowed 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.814 -0.554 . . . . 0.0 111.064 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -107.78 -31.86 7.87 Favored 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 120.325 1.42 . . . . 0.0 113.046 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -92.84 66.04 4.24 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.209 -1.557 . . . . 0.0 108.92 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 44' ' ' PHE . 95.7 p -84.01 144.17 29.29 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.024 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.9 p 68.92 -7.0 0.8 Allowed 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.097 -1.002 . . . . 0.0 110.571 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.457 ' C ' HD22 ' A' ' 45' ' ' LEU . 97.4 m-85 -103.72 -61.19 1.46 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.7 mm? -105.82 136.03 46.19 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -118.9 152.17 36.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.671 -1.268 . . . . 0.0 109.049 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 48' ' ' GLN . 34.0 m -159.36 -34.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.492 ' N ' HG23 ' A' ' 47' ' ' VAL . 12.7 pt20 -75.85 -55.44 5.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.188 -0.945 . . . . 0.0 111.981 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -70.05 -32.61 70.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.704 -1.248 . . . . 0.0 110.575 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 14.9 p-10 -99.78 94.66 6.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.101 -0.999 . . . . 0.0 109.505 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.95 75.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.48 -0.762 . . . . 0.0 110.373 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -38.31 82.19 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.113 -0.992 . . . . 0.0 108.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.15 90.14 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.641 -0.662 . . . . 0.0 111.277 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 60.1 t -69.59 -55.68 14.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.912 -1.117 . . . . 0.0 112.189 -177.546 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -65.84 -40.43 91.75 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.314 -1.491 . . . . 0.0 111.133 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -70.16 -40.07 74.95 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.082 -1.011 . . . . 0.0 111.723 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.539 ' O ' ' N ' ' A' ' 61' ' ' LEU . 91.3 mt -80.96 -52.32 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.062 -1.024 . . . . 0.0 110.916 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -62.4 -44.43 96.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.654 -0.654 . . . . 0.0 111.214 -177.853 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -69.41 -35.84 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.917 -1.114 . . . . 0.0 109.831 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.89 -18.65 25.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.122 -0.986 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.2 tp -75.87 -24.76 55.74 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.0 m-20 -86.97 43.51 1.1 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 175.13 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.575 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.3 tt0 -38.34 -19.13 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 111.878 -2.419 . . . . 0.0 110.639 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 95.3 m-20 -88.43 -4.82 58.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.59 -1.319 . . . . 0.0 108.627 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 83.18 36.62 14.34 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' A' ' 68' ' ' GLU . 16.2 t0 -109.87 110.2 21.09 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.19 8.36 0.1 OUTLIER Glycine 0 N--CA 1.495 2.616 0 O-C-N 119.067 -2.271 . . . . 0.0 110.198 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.626 ' H ' ' C ' ' A' ' 66' ' ' ASP . 96.9 mt-10 -120.35 143.5 48.37 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.99 136.54 38.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 122.077 0.941 . . . . 0.0 110.975 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.07 163.05 18.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.386 -0.821 . . . . 0.0 108.866 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 53.9 p90 -59.91 -40.05 87.5 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 110.303 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -63.0 -39.95 96.31 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.067 -1.02 . . . . 0.0 111.153 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -68.92 -39.97 79.34 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.477 -1.389 . . . . 0.0 109.769 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.77 -40.04 94.62 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.75 -38.41 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.967 -1.083 . . . . 0.0 111.548 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.38 -58.83 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 112.114 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -39.99 72.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.692 -1.255 . . . . 0.0 112.348 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.0 t -68.87 -38.72 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.811 -1.181 . . . . 0.0 109.961 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.71 -24.75 62.71 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.443 -0.786 . . . . 0.0 109.278 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 -53.04 57.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.965 -1.085 . . . . 0.0 108.62 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -65.09 -25.1 67.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.462 -0.774 . . . . 0.0 109.652 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 88.2 m -64.52 -55.53 19.98 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.69 -177.486 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 83' ' ' VAL . 1.4 t -79.48 -32.56 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.989 -1.07 . . . . 0.0 110.605 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.98 -52.46 56.1 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.562 -0.711 . . . . 0.0 110.453 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.08 -39.96 87.87 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 109.922 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 21.4 m120 -60.1 -40.05 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.242 -0.911 . . . . 0.0 110.476 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 N--CA 1.494 1.772 0 O-C-N 120.955 -1.09 . . . . 0.0 110.507 -178.728 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.63 -54.78 26.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.742 -0.599 . . . . 0.0 111.011 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.431 ' CG ' HG11 ' A' ' 14' ' ' VAL . 79.2 mt -58.2 -39.7 79.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.871 -1.143 . . . . 0.0 110.906 -177.227 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -53.25 -45.08 68.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.686 -1.259 . . . . 0.0 108.58 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -70.48 -33.26 71.04 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.452 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -56.23 -51.77 66.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.878 . . . . 0.0 110.279 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.8 ttt -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.41 -0.806 . . . . 0.0 109.711 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.5 -40.01 93.04 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.318 -0.864 . . . . 0.0 110.435 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 3.6 p -69.35 -46.24 67.49 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.715 0.769 . . . . 0.0 110.632 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.04 -49.59 77.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.763 -0.586 . . . . 0.0 112.456 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.31 -39.97 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.126 -0.983 . . . . 0.0 112.389 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.409 ' OD1' ' OE2' ' A' ' 3' ' ' GLU . 24.1 t-20 -60.08 -39.93 87.79 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.117 -1.614 . . . . 0.0 109.804 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.441 HG11 ' CG ' ' A' ' 4' ' ' LEU . 8.7 p -80.31 -30.03 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.338 -0.851 . . . . 0.0 110.344 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.04 -53.35 58.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 111.428 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.3 -20.94 43.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 122.022 -0.424 . . . . 0.0 111.972 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.25 3.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.56 -1.337 . . . . 0.0 110.695 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -80.36 -25.52 39.15 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.682 -1.261 . . . . 0.0 111.285 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.423 ' OG ' HD11 ' B' ' 28' ' ' LEU . 20.6 m -60.35 -23.05 63.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.627 -1.296 . . . . 0.0 110.824 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 28.33 9.79 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt . . . . . 0 C--N 1.304 -1.382 0 O-C-N 121.052 -1.264 . . . . 0.0 109.078 -179.622 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 p90 . . . . . 0 N--CA 1.504 2.265 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.406 ' C ' HD22 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -140.49 141.59 35.37 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 175.072 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -98.26 154.28 17.91 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.644 -1.285 . . . . 0.0 110.708 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 73.8 m -127.33 161.05 29.54 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -48.03 -40.93 24.32 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.237 -1.385 . . . . 0.0 109.998 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -71.83 -31.75 66.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.095 -1.003 . . . . 0.0 112.009 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.457 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.0 mt-10 -76.6 -38.28 55.08 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.405 -1.435 . . . . 0.0 108.865 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.95 -50.03 75.35 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.747 -0.596 . . . . 0.0 112.455 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -69.21 -29.75 67.78 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.764 -1.21 . . . . 0.0 112.289 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -76.29 -35.27 58.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.647 -1.283 . . . . 0.0 109.358 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 36' ' ' LEU . 0.7 OUTLIER -65.88 -36.22 82.83 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 120.902 -1.124 . . . . 0.0 110.666 -178.622 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.64 -39.23 27.72 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.619 -1.301 . . . . 0.0 112.174 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.61 -18.17 63.59 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.649 -1.282 . . . . 0.0 108.22 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.0 m -67.81 -70.33 0.26 Allowed 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.904 -0.497 . . . . 0.0 111.007 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -107.56 -31.94 7.9 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.26 1.391 . . . . 0.0 113.101 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.4 mt -92.85 66.22 4.26 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.15 -1.594 . . . . 0.0 109.002 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.427 ' C ' ' H ' ' B' ' 44' ' ' PHE . 96.4 p -84.01 144.45 29.11 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.993 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' B' ' 42' ' ' SER . 2.8 p 68.66 -7.28 0.74 Allowed 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.179 -0.951 . . . . 0.0 110.569 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.44 ' C ' HD22 ' B' ' 45' ' ' LEU . 96.9 m-85 -103.3 -61.46 1.41 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 2.6 mm? -105.68 136.38 45.4 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -119.02 152.05 37.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.659 -1.276 . . . . 0.0 109.014 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.511 HG23 ' N ' ' B' ' 48' ' ' GLN . 33.9 m -159.25 -34.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.511 ' N ' HG23 ' B' ' 47' ' ' VAL . 12.4 pt20 -75.85 -55.42 5.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.175 -0.953 . . . . 0.0 111.983 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -70.03 -32.7 70.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.708 -1.245 . . . . 0.0 110.566 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' B' ' 50' ' ' ASP . 14.6 p-10 -99.73 94.66 6.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.097 -1.002 . . . . 0.0 109.573 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.98 -38.17 75.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.532 -0.73 . . . . 0.0 110.399 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -37.78 80.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.108 -0.995 . . . . 0.0 108.383 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.26 82.71 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.668 -0.645 . . . . 0.0 111.785 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 62.4 t -71.46 -55.6 13.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.897 -1.127 . . . . 0.0 112.085 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.84 -40.23 91.55 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.397 -1.439 . . . . 0.0 111.116 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -40.0 74.13 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.091 -1.006 . . . . 0.0 111.677 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' LEU . 92.0 mt -80.99 -52.41 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.5 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.685 -0.634 . . . . 0.0 111.364 -177.911 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -69.2 -36.01 76.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.913 -1.117 . . . . 0.0 109.844 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.8 -18.63 25.91 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.987 . . . . 0.0 109.718 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' GLU . 44.0 tp -75.89 -24.8 55.68 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' B' ' 64' ' ' ASN . 15.1 m-20 -86.9 43.38 1.09 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' LEU . 84.0 tt0 -38.2 -19.24 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 112.016 -2.356 . . . . 0.0 110.6 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' B' ' 62' ' ' ASP . 94.3 m-20 -88.3 -4.94 58.61 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.65 -1.281 . . . . 0.0 108.758 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 84.15 34.31 18.02 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' B' ' 68' ' ' GLU . 18.2 t0 -107.92 110.33 22.05 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.64 8.61 0.12 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 118.999 -2.313 . . . . 0.0 110.118 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.608 ' H ' ' C ' ' B' ' 66' ' ' ASP . 96.8 mt-10 -120.38 143.36 48.47 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.39 136.75 36.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 CA-C-O 122.038 0.923 . . . . 0.0 110.96 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.2 163.07 18.01 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.7 p90 -59.98 -39.99 87.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.12 -0.988 . . . . 0.0 110.248 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.535 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.5 tt0 -62.91 -40.02 96.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.081 -1.012 . . . . 0.0 111.134 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.458 -1.401 . . . . 0.0 109.767 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -64.79 -39.96 94.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.74 -38.2 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.863 -1.148 . . . . 0.0 111.584 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.54 -58.81 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.07 -1.019 . . . . 0.0 112.131 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.69 -40.05 73.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.644 -1.285 . . . . 0.0 112.26 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.11 -38.55 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.812 -1.18 . . . . 0.0 109.87 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -24.33 62.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.437 -0.789 . . . . 0.0 109.419 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.53 -57.37 10.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.14 -26.15 66.06 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.543 0.687 . . . . 0.0 109.771 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 91.1 m -64.51 -55.63 19.37 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.069 -1.019 . . . . 0.0 110.834 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.4 -32.21 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.88 -1.138 . . . . 0.0 110.704 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.18 51.3 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.572 0.701 . . . . 0.0 110.339 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.6 m -60.01 -40.05 87.9 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.643 -0.661 . . . . 0.0 109.771 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 82' ' ' THR . 21.8 m120 -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.154 -0.966 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.2 t30 . . . . . 0 N--CA 1.495 1.78 0 O-C-N 120.983 -1.073 . . . . 0.0 110.525 -178.699 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -60.04 -48.91 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.427 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.574 HD13 HD11 ' A' ' 57' ' ' ILE . 34.8 tp -60.0 -50.13 74.95 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.915 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.74 -39.98 95.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.0 110.136 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.077 -1.015 . . . . 0.0 110.992 -178.951 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -59.96 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.531 HD13 HD11 ' B' ' 57' ' ' ILE . 33.9 tp -60.08 -50.15 74.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.31 -0.868 . . . . 0.0 110.899 -178.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.65 -39.95 95.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.94 . . . . 0.0 110.896 -178.822 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.498 1.956 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.13 -56.93 15.54 Favored 'General case' 0 C--O 1.2 -1.5 0 O-C-N 121.305 -0.872 . . . . 0.0 110.783 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' B' ' 40' ' ' GLU . 84.2 mt -58.2 -38.64 77.15 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.887 -1.133 . . . . 0.0 110.296 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -54.62 -45.36 73.67 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.962 -1.086 . . . . 0.0 108.287 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.6 p -70.0 -36.38 75.1 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.487 -0.758 . . . . 0.0 110.052 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -51.46 -51.78 52.03 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.334 -0.854 . . . . 0.0 109.872 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ttt -60.04 -36.16 76.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.45 -39.94 94.78 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.211 -0.931 . . . . 0.0 110.464 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 15.0 p -68.25 -46.74 69.64 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.83 0.824 . . . . 0.0 110.553 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -45.31 93.23 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mt -80.7 -36.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.754 -1.216 . . . . 0.0 112.274 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -59.98 -40.22 88.35 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.197 -1.564 . . . . 0.0 109.911 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -80.62 -34.69 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.357 -0.839 . . . . 0.0 110.682 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.347 -0.846 . . . . 0.0 112.446 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -82.56 -21.07 35.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.514 -0.742 . . . . 0.0 111.675 -177.317 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.86 -59.96 2.71 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.569 -1.332 . . . . 0.0 110.47 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -71.66 -36.36 70.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.728 -1.232 . . . . 0.0 111.138 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -57.53 -20.03 28.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.955 -1.091 . . . . 0.0 111.328 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.74 19.94 12.16 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB2' ' HZ2' ' A' ' 21' ' ' LYS . 1.5 tppp? . . . . . 0 N--CA 1.49 1.537 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.503 2.193 0 CA-C-O 121.867 0.842 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.4 145.65 27.07 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -97.01 152.11 19.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.77 -1.206 . . . . 0.0 110.104 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.475 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 23.4 t -129.21 164.07 24.23 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -49.44 -42.3 42.48 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.489 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -71.59 -31.5 67.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.838 -1.164 . . . . 0.0 111.968 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.7 mt-10 -74.32 -37.26 63.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.262 -1.524 . . . . 0.0 108.269 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.09 -51.57 69.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.864 -0.522 . . . . 0.0 112.088 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.814 -1.179 . . . . 0.0 112.52 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -71.08 -32.13 68.71 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.944 -1.097 . . . . 0.0 109.895 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.1 tp -64.61 -40.06 94.83 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.606 -0.684 . . . . 0.0 112.751 -177.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.89 -33.75 21.15 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.316 -1.49 . . . . 0.0 113.215 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.98 -19.63 63.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.627 -1.295 . . . . 0.0 109.782 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -77.77 -67.25 0.74 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.613 -0.679 . . . . 0.0 112.119 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.645 ' HB2' HD12 ' B' ' 4' ' ' LEU . 26.4 mp0 -86.89 -48.25 8.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.367 -1.458 . . . . 0.0 111.144 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.87 66.89 5.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.17 . . . . 0.0 108.253 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.0 m -79.9 -23.55 41.75 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.119 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -108.15 4.06 24.46 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.053 -1.029 . . . . 0.0 111.675 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -119.94 -80.7 0.62 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.043 -1.035 . . . . 0.0 108.91 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.565 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -70.89 137.45 49.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.53 151.77 34.25 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 32.9 m -155.24 -34.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.75 -17.96 24.61 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.927 -1.108 . . . . 0.0 110.466 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -68.24 -39.98 82.14 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.245 -0.91 . . . . 0.0 108.924 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -129.96 116.8 19.12 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.341 0.591 . . . . 0.0 109.909 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.26 -30.79 71.69 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.43 -39.99 89.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.489 -0.757 . . . . 0.0 109.002 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.414 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.237 -0.914 . . . . 0.0 110.655 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 27.2 t -69.98 -56.44 11.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 112.594 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.15 -40.1 95.43 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.592 -1.317 . . . . 0.0 111.54 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -72.37 -39.91 67.68 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 111.267 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.574 HD11 HD13 ' C' ' 8' ' ' LEU . 96.5 mt -74.75 -53.67 16.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.05 -1.031 . . . . 0.0 109.867 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.9 tmt? -60.49 -46.09 91.39 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.166 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.37 -38.27 81.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 0.0 109.811 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -89.01 -17.04 30.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 0.0 109.832 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 57' ' ' ILE . 56.8 tp -82.23 -13.61 56.81 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.7 m-20 -96.78 34.19 1.73 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 175.543 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.6 pt-20 -36.08 -20.66 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 111.984 -2.371 . . . . 0.0 111.275 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 62' ' ' ASP . 83.5 m-20 -84.35 0.68 48.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.568 -1.332 . . . . 0.0 107.909 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 74.44 29.54 61.73 Favored Glycine 0 N--CA 1.478 1.475 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.633 ' C ' ' H ' ' A' ' 68' ' ' GLU . 19.9 p-10 -109.2 110.95 22.29 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.2 12.81 0.04 OUTLIER Glycine 0 N--CA 1.493 2.447 0 O-C-N 119.504 -1.997 . . . . 0.0 111.018 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.633 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.7 mt-10 -120.01 139.61 52.23 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.16 127.96 53.88 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 CA-C-O 122.156 0.979 . . . . 0.0 110.533 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.2 159.31 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.9 p90 -59.96 -36.33 76.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.127 -0.983 . . . . 0.0 110.135 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.3 tt0 -62.33 -40.14 95.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.771 -1.206 . . . . 0.0 110.484 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.12 -42.14 73.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.872 -1.143 . . . . 0.0 111.201 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.729 ' O ' HG22 ' A' ' 78' ' ' VAL . 43.7 t80 -64.5 -50.11 68.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.28 -0.888 . . . . 0.0 111.989 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.32 -35.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.877 -0.514 . . . . 0.0 111.77 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.07 -58.98 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.051 -1.031 . . . . 0.0 111.577 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.74 -43.63 92.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.043 -1.036 . . . . 0.0 113.236 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 74' ' ' PHE . 32.6 m -61.45 -35.33 65.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.967 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.453 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -76.14 -27.44 57.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.141 -0.975 . . . . 0.0 109.627 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -61.53 -30.29 70.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.002 -1.061 . . . . 0.0 109.445 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.69 -24.07 19.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.148 -0.97 . . . . 0.0 109.877 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -65.23 -53.44 44.45 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.76 -179.059 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 82' ' ' THR . 3.6 m -82.3 -37.49 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.734 -1.229 . . . . 0.0 111.05 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -65.93 -40.05 91.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.959 -1.088 . . . . 0.0 110.71 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.2 t -71.42 -39.02 71.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.258 -0.902 . . . . 0.0 110.119 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -60.01 -46.16 90.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.82 . . . . 0.0 110.7 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.6 t30 . . . . . 0 C--N 1.299 -1.605 0 O-C-N 121.107 -0.995 . . . . 0.0 110.9 -179.194 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.9 mt-10 -59.95 -56.86 16.48 Favored 'General case' 0 C--O 1.201 -1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 110.705 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 40' ' ' GLU . 84.6 mt -58.32 -38.7 77.64 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.82 -1.175 . . . . 0.0 110.318 -177.491 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.41 -45.42 72.94 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.986 -1.071 . . . . 0.0 108.329 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 32.2 p -70.08 -35.24 74.06 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.456 -0.777 . . . . 0.0 110.022 179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -50.87 63.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.717 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.7 ttt -59.93 -36.17 76.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 0.0 109.662 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.47 -40.04 94.95 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.203 -0.936 . . . . 0.0 110.321 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.0 p -68.29 -46.47 70.25 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.15 -45.2 93.88 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.7 -36.54 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.683 -1.261 . . . . 0.0 112.091 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.01 -40.18 88.4 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.225 -1.547 . . . . 0.0 109.875 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.401 HG11 HD21 ' A' ' 4' ' ' LEU . 9.0 p -80.59 -34.39 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.333 -0.854 . . . . 0.0 110.739 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.06 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.424 -0.798 . . . . 0.0 112.399 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -82.7 -20.85 35.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.503 -0.748 . . . . 0.0 111.769 -177.305 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.539 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.12 -59.89 2.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.613 -1.305 . . . . 0.0 110.4 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -71.81 -36.39 70.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.756 -1.215 . . . . 0.0 111.059 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -57.26 -19.9 24.45 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.966 -1.084 . . . . 0.0 111.387 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.83 19.55 12.22 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 21' ' ' LYS . . . . . 0.505 ' HB2' ' HZ2' ' B' ' 21' ' ' LYS . 1.5 tppp? . . . . . 0 N--CA 1.49 1.527 0 O-C-N 120.839 -1.389 . . . . 0.0 108.864 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 N--CA 1.502 2.13 0 CA-C-O 121.821 0.82 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.46 145.88 27.14 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.35 151.93 19.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.879 -1.138 . . . . 0.0 110.103 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 26.7 t -129.2 163.64 25.14 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.08 -42.02 37.36 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 118.59 -1.244 . . . . 0.0 110.557 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.7 -30.25 64.07 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.721 -1.237 . . . . 0.0 111.789 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.47 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.4 mt-10 -74.84 -37.13 62.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.191 -1.568 . . . . 0.0 108.24 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.06 -51.86 67.83 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.317 0.58 . . . . 0.0 112.037 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.699 -1.251 . . . . 0.0 112.468 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -71.15 -31.96 68.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.974 -1.079 . . . . 0.0 109.864 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.463 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 tp -64.74 -40.06 94.68 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.75 -33.82 21.35 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.244 -1.535 . . . . 0.0 113.264 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.96 -19.78 63.35 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.677 -1.264 . . . . 0.0 109.859 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -77.53 -67.28 0.74 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.761 -0.587 . . . . 0.0 112.152 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.579 ' HB2' HD12 ' A' ' 4' ' ' LEU . 25.9 mp0 -87.11 -47.98 8.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.367 -1.458 . . . . 0.0 111.23 -177.541 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.9 66.83 5.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.765 -1.209 . . . . 0.0 108.205 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -80.01 -23.32 41.6 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.208 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -108.49 4.48 24.26 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.01 -1.056 . . . . 0.0 111.512 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.02 -80.71 0.62 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.027 -1.045 . . . . 0.0 108.776 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.558 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.3 mm? -71.03 137.61 49.15 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.237 -0.985 . . . . 0.0 108.407 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.57 151.69 34.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 31.4 m -155.11 -34.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.52 -18.08 24.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 110.487 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -68.2 -40.0 82.3 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.189 -0.945 . . . . 0.0 109.067 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -130.04 116.46 18.58 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.286 0.565 . . . . 0.0 109.802 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.69 70.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.2 -40.0 92.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.456 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -60.63 -37.36 81.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.376 -0.827 . . . . 0.0 111.172 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 35.4 t -72.16 -56.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 112.589 -178.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.31 -39.97 94.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.767 -1.208 . . . . 0.0 111.567 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -72.46 -40.03 67.3 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.097 -1.002 . . . . 0.0 111.266 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.531 HD11 HD13 ' D' ' 8' ' ' LEU . 96.6 mt -74.7 -53.45 16.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.968 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.46 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.9 tmt? -60.5 -46.0 91.74 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.188 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.69 -37.96 79.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.924 -1.11 . . . . 0.0 109.885 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.19 -17.07 29.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.093 -1.004 . . . . 0.0 109.837 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' B' ' 57' ' ' ILE . 56.4 tp -82.18 -13.47 57.1 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' B' ' 65' ' ' GLY . 5.6 m-20 -96.91 34.33 1.73 Allowed 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.6 pt-20 -36.16 -20.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 111.862 -2.426 . . . . 0.0 111.289 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 62' ' ' ASP . 83.7 m-20 -84.33 0.71 48.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.599 -1.313 . . . . 0.0 107.987 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 74.39 29.28 62.23 Favored Glycine 0 C--N 1.299 -1.527 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.623 ' C ' ' H ' ' B' ' 68' ' ' GLU . 20.0 p-10 -108.77 110.98 22.49 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.13 12.71 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 O-C-N 119.493 -2.004 . . . . 0.0 111.002 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.623 ' H ' ' C ' ' B' ' 66' ' ' ASP . 95.6 mt-10 -119.95 140.03 51.55 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.95 127.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 CA-C-O 122.132 0.968 . . . . 0.0 110.624 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.08 159.43 29.83 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 47.9 p90 -59.97 -36.4 77.07 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.542 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.4 tt0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.784 -1.198 . . . . 0.0 110.472 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.11 -42.13 73.06 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.841 -1.162 . . . . 0.0 111.335 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.713 ' O ' HG22 ' B' ' 78' ' ' VAL . 45.1 t80 -64.57 -50.16 68.35 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.356 -0.84 . . . . 0.0 112.044 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.1 -36.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.863 -0.523 . . . . 0.0 111.704 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.96 -59.0 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.031 -1.043 . . . . 0.0 111.531 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.57 -43.54 93.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 113.159 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.713 HG22 ' O ' ' B' ' 74' ' ' PHE . 30.1 m -62.16 -34.45 63.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 O-C-N 120.707 -1.246 . . . . 0.0 110.988 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.425 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -76.4 -27.52 56.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.024 . . . . 0.0 109.602 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 80' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' B' ' 84' ' ' ALA . . . -64.02 -23.69 67.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.893 -1.129 . . . . 0.0 109.988 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -96.39 -24.42 16.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -65.23 -53.27 46.99 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.886 -179.02 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' B' ' 82' ' ' THR . 4.1 m -82.63 -37.61 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.838 -1.164 . . . . 0.0 110.977 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 80' ' ' ALA . . . -65.91 -39.82 90.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.987 -1.071 . . . . 0.0 110.717 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.1 t -71.41 -39.17 71.29 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.177 -0.952 . . . . 0.0 110.227 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -60.0 -46.0 90.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.424 -0.798 . . . . 0.0 110.787 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.128 -0.983 . . . . 0.0 110.93 -179.371 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 84.1 t60 . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -42.19 94.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.797 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.09 -53.11 27.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.426 -0.796 . . . . 0.0 111.245 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.85 -40.01 76.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.972 -1.08 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.494 1.727 0 O-C-N 120.817 -1.177 . . . . 0.0 110.193 -179.263 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 83.9 t60 . . . . . 0 N--CA 1.486 1.374 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -64.9 -42.28 94.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.145 -0.972 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -68.28 -52.8 29.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.374 -0.829 . . . . 0.0 111.274 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -69.89 -40.07 75.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.826 -1.171 . . . . 0.0 110.454 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.493 1.721 0 O-C-N 120.841 -1.162 . . . . 0.0 110.248 -179.169 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 6' ' ' THR . 95.9 mt-10 -64.3 -51.02 65.53 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.643 0.735 . . . . 0.0 110.041 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.47 HD21 HD12 ' B' ' 41' ' ' LEU . 25.5 tp -60.16 -38.28 82.69 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.725 -177.355 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.78 -46.42 81.53 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 122.223 1.011 . . . . 0.0 108.828 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 37.2 p -67.41 -35.05 78.5 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.62 -0.675 . . . . 0.0 110.457 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.589 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -52.29 -54.93 25.18 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.942 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.7 ppp? -59.87 -33.51 71.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.322 -1.486 . . . . 0.0 109.138 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.27 -35.12 80.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.803 . . . . 0.0 110.28 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.587 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 21.1 p -73.67 -47.36 40.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 111.131 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 70.7 mt -57.71 -41.23 81.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 111.069 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.11 -26.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.106 -0.996 . . . . 0.0 111.48 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.99 -40.04 94.28 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.35 -1.469 . . . . 0.0 109.28 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 m -79.8 -34.21 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.875 -0.516 . . . . 0.0 110.939 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.438 ' O ' ' OG ' ' A' ' 19' ' ' SER . 16.3 m-30 -60.06 -49.82 76.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.112 -0.992 . . . . 0.0 111.057 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' HIS . . . . . 0.5 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 1.5 p80 -81.03 -20.11 42.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 112.093 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -74.04 -60.26 2.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.398 -1.439 . . . . 0.0 111.966 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 2.0 p-80 -74.97 -38.86 61.57 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.152 -1.593 . . . . 0.0 110.676 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.495 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 7.3 m -61.13 -12.64 13.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 0.0 110.208 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.58 15.63 62.9 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.8 mttm . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.064 -1.257 . . . . 0.0 108.531 178.536 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 17.4 p90 . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.836 0.827 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -141.0 142.28 34.27 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 5.3 tp -98.92 150.92 21.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.788 -1.195 . . . . 0.0 110.149 -177.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.5 m -130.92 165.09 23.86 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -53.22 -44.46 68.08 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.149 -0.97 . . . . 0.0 111.574 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.68 -27.29 62.94 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.621 -1.299 . . . . 0.0 110.834 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 99.1 mt-10 -75.83 -40.05 55.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 33' ' ' LEU . 1.9 tt -60.03 -45.85 91.45 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.495 0.664 . . . . 0.0 111.33 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.656 ' N ' HD23 ' A' ' 33' ' ' LEU . 80.1 tttt -63.1 -40.0 96.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.406 -0.809 . . . . 0.0 112.301 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -75.74 -27.45 58.12 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.673 -1.267 . . . . 0.0 109.893 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD23 ' CZ ' ' A' ' 74' ' ' PHE . 48.5 tp -68.11 -39.87 82.7 Favored 'General case' 0 C--N 1.291 -1.963 0 O-C-N 121.149 -0.969 . . . . 0.0 111.852 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' A' ' 74' ' ' PHE . 26.1 mt -83.53 -37.28 23.24 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.624 -1.297 . . . . 0.0 112.467 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.1 pp0? -69.81 -33.22 72.05 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.78 -1.2 . . . . 0.0 109.832 -178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.497 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 53.4 m -86.35 -65.07 1.05 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.058 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 57.2 mp0 -69.66 -55.4 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.263 -0.898 . . . . 0.0 111.875 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.633 HD13 HD22 ' A' ' 45' ' ' LEU . 1.8 mt -96.07 48.84 1.12 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 122.598 1.19 . . . . 0.0 108.105 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.3 p -65.77 -17.96 65.0 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.209 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.4 p -89.2 -8.47 53.51 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.795 -1.191 . . . . 0.0 113.382 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.85 -59.81 0.5 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.363 -1.461 . . . . 0.0 111.129 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.633 HD22 HD13 ' A' ' 41' ' ' LEU . 2.6 mp -71.38 134.76 46.9 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.801 -1.187 . . . . 0.0 108.885 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -122.24 156.03 34.63 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 48' ' ' GLN . 27.3 m -158.37 -35.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.51 ' N ' HG23 ' A' ' 47' ' ' VAL . 13.1 pt20 -73.58 -45.57 52.44 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.97 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -70.06 -34.58 73.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.658 -1.276 . . . . 0.0 109.85 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -108.83 97.78 7.37 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.494 -0.754 . . . . 0.0 110.233 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.29 70.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.925 . . . . 0.0 108.999 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.5 -40.07 90.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.051 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.09 93.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.622 -0.674 . . . . 0.0 110.852 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.406 HG22 ' HB ' ' A' ' 47' ' ' VAL . 46.9 t -67.47 -52.86 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 112.011 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -60.27 -39.71 87.81 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.761 -1.212 . . . . 0.0 110.236 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -69.25 -38.95 78.69 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.137 -0.977 . . . . 0.0 112.367 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -82.09 -51.64 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.167 -1.583 . . . . 0.0 109.929 -179.44 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.495 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 7.0 tpt -60.04 -49.74 76.47 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.194 -0.941 . . . . 0.0 112.071 -177.644 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -70.8 -36.39 72.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.544 -1.348 . . . . 0.0 109.932 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.61 -15.92 35.96 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.502 -0.749 . . . . 0.0 110.007 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 57' ' ' ILE . 62.4 tp -83.45 -14.12 53.22 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' A' ' 65' ' ' GLY . 14.9 m-20 -92.59 41.94 1.09 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 174.479 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.0 tp10 -42.2 -23.16 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.194 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -86.14 -11.12 53.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.725 -1.234 . . . . 0.0 108.153 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 90.13 32.22 9.98 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' A' ' 68' ' ' GLU . 17.4 p-10 -110.46 113.76 26.65 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.69 9.54 0.06 OUTLIER Glycine 0 N--CA 1.494 2.546 0 O-C-N 119.438 -2.039 . . . . 0.0 110.599 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.626 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.6 mt-10 -118.28 138.23 52.51 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.53 130.07 61.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 72' ' ' GLN . 66.1 t0 -87.77 126.41 34.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.939 -1.1 . . . . 0.0 109.107 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' ASP . 45.6 m-85 -23.59 -38.5 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -60.74 -41.38 95.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.364 -1.46 . . . . 0.0 110.094 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.6 mt-10 -70.98 -43.15 68.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.813 -1.179 . . . . 0.0 110.82 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.769 ' O ' HG22 ' A' ' 78' ' ' VAL . 17.4 t80 -61.03 -50.4 73.47 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 76' ' ' VAL . 10.0 p -59.97 -40.03 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-O 121.086 0.47 . . . . 0.0 111.615 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.474 ' N ' HG13 ' A' ' 75' ' ' VAL . 26.4 t -61.44 -59.46 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 111.421 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.6 -50.74 62.05 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.573 -1.33 . . . . 0.0 112.665 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 74' ' ' PHE . 16.6 m -59.98 -39.16 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 112.452 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.553 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.36 -25.96 63.51 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.304 -0.873 . . . . 0.0 110.193 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.03 94.53 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.02 -37.25 87.0 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.865 -0.522 . . . . 0.0 110.113 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -52.64 64.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.971 -1.08 . . . . 0.0 110.738 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -68.07 -39.36 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.222 -0.924 . . . . 0.0 110.651 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-O 121.454 0.645 . . . . 0.0 110.462 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.2 m -60.06 -40.03 88.07 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.12 -39.94 87.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 110.552 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.496 1.869 0 O-C-N 120.785 -1.197 . . . . 0.0 110.847 -179.379 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.839 0.828 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.474 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.5 mt-10 -64.3 -51.07 65.3 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.555 0.693 . . . . 0.0 110.126 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 41' ' ' LEU . 25.6 tp -60.08 -38.37 82.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.684 -0.635 . . . . 0.0 109.85 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.74 -46.32 81.45 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 122.211 1.005 . . . . 0.0 108.801 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 36.8 p -67.47 -33.87 76.01 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.638 -0.663 . . . . 0.0 110.517 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.587 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.94 -53.76 48.33 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.339 -0.851 . . . . 0.0 110.776 -175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.6 ppp? -60.07 -33.73 72.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.601 -1.312 . . . . 0.0 109.006 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.03 -35.4 81.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.548 -0.72 . . . . 0.0 110.242 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.589 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 21.7 p -73.52 -47.19 42.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 111.161 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 68.5 mt -58.32 -40.38 81.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.343 -0.848 . . . . 0.0 111.117 -178.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mt -78.91 -28.64 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.078 -1.014 . . . . 0.0 111.134 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.3 -39.96 88.79 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.586 -1.321 . . . . 0.0 109.496 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.455 ' H ' HG22 ' B' ' 14' ' ' VAL . 7.8 m -80.27 -34.01 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.871 -0.518 . . . . 0.0 111.029 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 16.0 m-30 -60.0 -49.87 75.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.104 -0.997 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.493 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 1.6 p80 -80.89 -20.35 42.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.956 -1.09 . . . . 0.0 112.131 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' ALA . . . . . 0.474 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -73.77 -60.25 2.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.441 -1.412 . . . . 0.0 112.053 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 2.0 p-80 -75.04 -38.6 61.38 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.139 -1.601 . . . . 0.0 110.781 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 8.2 m -61.39 -12.8 15.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.168 -0.958 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.45 15.73 62.63 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.489 1.476 0 O-C-N 121.113 -1.228 . . . . 0.0 108.509 178.332 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.555 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 16.9 p90 . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 121.867 0.841 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -140.91 142.46 34.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.502 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 5.4 tp -99.02 151.14 21.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.81 -1.182 . . . . 0.0 110.158 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 69.6 m -131.94 163.36 28.53 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.638 -0.664 . . . . 0.0 109.435 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -51.61 -44.58 62.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.055 -1.028 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.31 -26.73 62.06 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.464 -1.398 . . . . 0.0 110.705 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.534 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 99.1 mt-10 -75.82 -39.97 55.8 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.697 HD23 ' C ' ' B' ' 33' ' ' LEU . 1.7 tt -60.39 -45.17 94.5 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.305 0.574 . . . . 0.0 111.246 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.656 ' N ' HD23 ' B' ' 33' ' ' LEU . 80.3 tttt -63.75 -40.01 95.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.465 -0.772 . . . . 0.0 112.25 -177.193 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.49 -27.67 58.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.75 -1.218 . . . . 0.0 109.928 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' B' ' 74' ' ' PHE . 50.5 tp -67.99 -39.7 83.21 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 121.184 -0.947 . . . . 0.0 111.839 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.477 HD22 HD23 ' B' ' 45' ' ' LEU . 27.4 mt -83.63 -37.27 23.08 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.633 -1.292 . . . . 0.0 112.422 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.1 pp0? -69.99 -33.02 71.51 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.687 -1.258 . . . . 0.0 109.774 -178.248 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.504 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 52.7 m -86.55 -65.38 1.02 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.423 -0.798 . . . . 0.0 112.013 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 57.1 mp0 -69.33 -55.63 9.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.341 -0.849 . . . . 0.0 111.785 -177.329 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.619 HD13 HD22 ' B' ' 45' ' ' LEU . 1.8 mt -95.91 49.03 1.14 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.776 -1.203 . . . . 0.0 108.025 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 77.4 p -65.95 -17.82 64.92 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.233 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 92.8 p -89.35 -8.23 53.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.797 -1.189 . . . . 0.0 113.279 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -141.08 -59.54 0.5 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.317 -1.489 . . . . 0.0 111.185 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.619 HD22 HD13 ' B' ' 41' ' ' LEU . 2.6 mp -71.7 135.38 46.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.694 -1.253 . . . . 0.0 108.781 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.76 156.31 34.72 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.506 HG23 ' N ' ' B' ' 48' ' ' GLN . 27.5 m -158.87 -34.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.506 ' N ' HG23 ' B' ' 47' ' ' VAL . 13.2 pt20 -73.91 -45.02 53.27 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.827 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -70.66 -34.81 72.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.658 -1.276 . . . . 0.0 109.686 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -108.57 97.82 7.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.463 -0.773 . . . . 0.0 110.262 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.16 71.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.233 -0.917 . . . . 0.0 108.985 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.64 -40.03 90.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.37 -0.831 . . . . 0.0 108.962 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.38 88.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.693 -0.629 . . . . 0.0 111.245 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.41 HG22 ' HB ' ' B' ' 47' ' ' VAL . 44.3 t -69.15 -52.7 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 111.927 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.96 -40.02 87.62 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 120.805 -1.184 . . . . 0.0 110.273 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.11 -39.16 79.11 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.03 -1.044 . . . . 0.0 112.388 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -81.93 -52.11 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 120.184 -1.572 . . . . 0.0 109.775 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 7.2 tpt -59.9 -49.54 77.31 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.087 -1.008 . . . . 0.0 112.033 -177.552 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -70.66 -36.63 73.45 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.482 -1.386 . . . . 0.0 109.901 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.45 -16.03 35.99 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.462 -0.774 . . . . 0.0 110.055 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' B' ' 57' ' ' ILE . 63.7 tp -83.23 -14.14 53.86 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' B' ' 65' ' ' GLY . 14.5 m-20 -92.6 41.88 1.09 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.0 tp10 -42.16 -23.21 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 111.934 -2.394 . . . . 0.0 110.273 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -86.03 -11.25 53.38 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.793 -1.192 . . . . 0.0 108.131 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 90.25 31.61 10.51 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.613 ' C ' ' H ' ' B' ' 68' ' ' GLU . 16.8 p-10 -109.87 114.02 27.23 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.76 9.47 0.06 OUTLIER Glycine 0 N--CA 1.491 2.302 0 O-C-N 119.449 -2.032 . . . . 0.0 110.448 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.613 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.9 mt-10 -117.9 139.16 51.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.68 130.35 61.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' B' ' 72' ' ' GLN . 66.2 t0 -87.69 126.62 35.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.829 -1.169 . . . . 0.0 108.973 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' B' ' 70' ' ' ASP . 44.4 m-85 -23.86 -38.65 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -60.28 -41.86 94.23 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.344 -1.472 . . . . 0.0 110.016 179.572 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 70' ' ' ASP . 98.7 mt-10 -70.84 -43.35 68.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.801 -1.187 . . . . 0.0 110.797 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.783 ' O ' HG22 ' B' ' 78' ' ' VAL . 19.6 t80 -60.32 -50.7 72.6 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.475 HG13 ' N ' ' B' ' 76' ' ' VAL . 9.8 p -59.97 -39.98 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 CA-C-O 121.033 0.444 . . . . 0.0 111.676 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.475 ' N ' HG13 ' B' ' 75' ' ' VAL . 25.1 t -61.53 -59.21 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.029 -1.044 . . . . 0.0 111.395 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.71 -50.76 61.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.655 -1.278 . . . . 0.0 112.691 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.783 HG22 ' O ' ' B' ' 74' ' ' PHE . 17.6 m -60.08 -39.34 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.141 -0.974 . . . . 0.0 112.428 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.558 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.06 -26.13 63.87 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.339 -0.851 . . . . 0.0 110.519 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.53 87.02 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.97 -38.82 83.62 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.325 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -60.16 -52.73 64.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.84 -1.163 . . . . 0.0 110.881 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -39.25 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.14 -0.975 . . . . 0.0 110.761 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.02 88.48 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.471 0.653 . . . . 0.0 110.497 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.291 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.19 -39.94 88.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.451 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.498 1.949 0 O-C-N 120.934 -1.104 . . . . 0.0 110.757 -179.306 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 56.1 m80 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -60.01 -49.05 79.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.98 -48.66 75.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.727 -0.608 . . . . 0.0 110.614 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.417 ' N ' HD23 ' C' ' 9' ' ' LEU . 5.8 mt -69.39 -38.81 78.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.884 -1.135 . . . . 0.0 109.545 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.309 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 56.8 m80 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.0 -48.93 79.7 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.84 -48.86 75.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.634 -0.667 . . . . 0.0 110.631 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 9' ' ' LEU . . . . . 0.404 ' N ' HD23 ' D' ' 9' ' ' LEU . 6.0 mt -69.28 -38.84 78.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 109.568 -178.547 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.127 -0.983 . . . . 0.0 110.491 -179.263 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 52.2 mp0 -59.87 -52.32 65.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.12 -36.64 77.91 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.176 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -56.43 -49.13 75.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.046 -1.034 . . . . 0.0 108.847 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.4 p -64.02 -32.96 74.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.71 -0.619 . . . . 0.0 110.865 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -56.98 -49.19 76.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.249 -0.907 . . . . 0.0 110.719 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ttt -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.715 -1.24 . . . . 0.0 109.225 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.2 mm-40 -61.09 -39.8 91.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.715 . . . . 0.0 110.314 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.536 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 11.4 p -69.2 -45.86 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.658 -0.651 . . . . 0.0 111.355 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.07 -40.89 91.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.311 -0.868 . . . . 0.0 111.215 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mt -81.97 -36.57 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.359 -0.838 . . . . 0.0 112.487 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 16.0 m120 -60.13 -39.92 87.97 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.362 -1.461 . . . . 0.0 109.189 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 p -80.03 -32.75 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.81 -0.556 . . . . 0.0 110.571 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -60.04 -56.25 23.99 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.093 -1.004 . . . . 0.0 111.232 -179.289 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.01 -23.51 63.14 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.818 -0.551 . . . . 0.0 111.1 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.24 -60.28 2.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.77 -1.206 . . . . 0.0 110.834 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' NE2' ' OE2' ' A' ' 40' ' ' GLU . 56.4 m-70 -70.56 -40.08 73.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.403 -1.435 . . . . 0.0 111.521 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.613 ' OG ' HD11 ' A' ' 28' ' ' LEU . 51.2 m -64.88 -12.04 44.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.993 -1.067 . . . . 0.0 110.256 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.27 12.96 60.25 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.252 -1.146 . . . . 0.0 108.973 178.992 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CE1' ' CZ ' ' A' ' 71' ' ' PHE . 26.4 t80 . . . . . 0 N--CA 1.5 2.07 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 140.44 36.16 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.613 HD11 ' OG ' ' A' ' 19' ' ' SER . 3.6 mm? -98.41 152.4 19.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.68 -1.263 . . . . 0.0 110.779 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.1 p -126.41 161.66 27.36 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -46.57 -44.09 17.72 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.001 -1.062 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -69.95 -29.56 66.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.009 -1.057 . . . . 0.0 111.749 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' A' ' 29' ' ' SER . 47.6 mt-10 -76.59 -35.51 58.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.629 -1.294 . . . . 0.0 107.678 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 47.1 tp -59.95 -49.55 77.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.671 -0.643 . . . . 0.0 110.793 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.26 -35.68 72.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.121 -0.987 . . . . 0.0 110.253 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 48.4 t0 -70.0 -28.8 65.81 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.266 -0.896 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 32' ' ' GLU . 1.1 mm? -66.93 -43.11 84.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.118 -0.989 . . . . 0.0 112.675 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.915 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -87.56 -32.01 19.58 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 120.519 -1.363 . . . . 0.0 113.293 -177.839 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.2 pt20 -77.65 -39.98 43.23 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.643 -1.286 . . . . 0.0 111.693 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 27.1 m -85.54 -50.53 7.18 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.302 -0.874 . . . . 0.0 112.375 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' A' ' 18' ' ' HIS . 71.3 mm-40 -87.18 -49.73 7.09 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.17 35.74 0.99 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.726 -1.234 . . . . 0.0 111.394 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 43' ' ' SER . 47.5 t -50.02 132.24 23.12 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.6 t 154.33 -41.89 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 118.89 0.768 . . . . 0.0 110.608 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -164.0 -40.77 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.777 -1.202 . . . . 0.0 110.849 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' N ' HD22 ' A' ' 45' ' ' LEU . 4.0 mm? -56.9 129.51 41.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.534 -1.266 . . . . 0.0 107.716 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -118.09 146.87 43.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.844 -1.16 . . . . 0.0 108.622 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 48' ' ' GLN . 4.7 m -152.47 -37.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 47' ' ' VAL . 26.8 mt-30 -70.05 -60.26 2.4 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.04 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -70.37 -32.7 70.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.846 -1.159 . . . . 0.0 110.454 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 12.1 p-10 -88.41 84.28 6.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.457 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.06 94.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.661 -0.649 . . . . 0.0 109.862 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.99 87.74 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 109.09 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.22 91.86 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.419 -0.8 . . . . 0.0 111.453 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.68 -56.25 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.956 -1.09 . . . . 0.0 111.529 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.313 -1.492 . . . . 0.0 111.401 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.04 -39.92 75.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 112.468 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -78.23 -50.04 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.862 -1.149 . . . . 0.0 110.396 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.6 tpt -61.84 -43.43 98.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.436 -0.79 . . . . 0.0 111.524 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.78 -35.22 72.49 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.949 -1.094 . . . . 0.0 110.341 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -93.01 -27.05 17.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 0.0 109.97 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' ILE . 39.4 tp -71.11 -35.08 71.66 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.547 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 18.7 t0 -76.91 57.05 1.27 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 103.617 -2.734 . . . . 0.0 103.617 174.541 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' A' ' 61' ' ' LEU . 21.9 pt-20 -50.03 -19.91 0.83 Allowed 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 111.241 -2.709 . . . . 0.0 110.438 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -85.49 2.32 45.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.37 37.08 86.64 Favored Glycine 0 N--CA 1.497 2.703 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.22 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.456 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 4.0 p-10 -100.89 -10.61 20.5 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.756 -1.438 . . . . 0.0 110.425 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.77 -5.68 73.81 Favored Glycine 0 N--CA 1.499 2.866 0 O-C-N 120.576 -1.328 . . . . 0.0 110.25 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 97.9 mt-10 -119.99 143.99 47.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.15 133.13 47.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 O-C-N 121.107 -0.995 . . . . 0.0 111.211 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.8 t0 -78.73 154.38 30.09 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CZ ' ' CE1' ' A' ' 26' ' ' TYR . 13.0 m-85 -59.6 -39.22 83.49 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.972 -1.08 . . . . 0.0 108.673 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -40.05 87.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.16 -0.963 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -68.21 -40.05 82.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.512 -1.368 . . . . 0.0 110.554 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.739 ' O ' HG22 ' A' ' 78' ' ' VAL . 44.2 t80 -64.41 -53.3 50.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.593 -0.692 . . . . 0.0 112.432 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.32 -32.01 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.87 -0.518 . . . . 0.0 111.65 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.03 -58.15 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.145 -0.972 . . . . 0.0 111.749 -178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tt -67.39 -43.3 81.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.915 -1.116 . . . . 0.0 112.551 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 74' ' ' PHE . 29.7 m -64.21 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 120.954 -1.091 . . . . 0.0 111.367 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.546 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -78.57 -27.14 45.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.154 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -24.97 65.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.018 -1.051 . . . . 0.0 109.665 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.0 mt -92.31 -38.67 11.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.239 -0.913 . . . . 0.0 109.775 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.5 t -61.6 -47.04 87.25 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.02 -1.05 . . . . 0.0 110.095 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.5 p -76.91 -40.71 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 110.563 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.471 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -60.06 -33.25 71.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 109.975 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.4 t -67.55 -39.93 84.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 109.671 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.04 -40.15 92.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.17 -0.957 . . . . 0.0 110.648 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.9 t30 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.073 -1.017 . . . . 0.0 111.074 -179.185 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.498 1.967 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 51.7 mp0 -60.01 -52.24 66.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.352 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.05 -36.85 78.23 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.536 -0.727 . . . . 0.0 110.238 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.35 -48.91 75.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.038 -1.039 . . . . 0.0 108.954 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 22.8 p -64.3 -31.74 73.06 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 110.736 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.536 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -58.35 -48.38 80.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.211 -0.931 . . . . 0.0 110.568 -176.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.045 -1.034 . . . . 0.0 109.119 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.0 mm-40 -61.09 -39.96 91.89 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.595 0.712 . . . . 0.0 110.275 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 10.8 p -68.94 -45.99 69.38 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.599 -0.688 . . . . 0.0 111.341 -177.767 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.03 -41.12 91.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.387 -0.821 . . . . 0.0 111.318 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mt -81.28 -37.39 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 112.353 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.8 m120 -59.93 -40.08 87.72 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.324 -1.485 . . . . 0.0 109.178 -178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.69 -32.88 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.793 -0.567 . . . . 0.0 110.565 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.457 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -59.88 -56.28 23.66 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.016 -1.053 . . . . 0.0 111.345 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -69.94 -23.34 63.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.818 -0.551 . . . . 0.0 111.174 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 -60.11 2.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.732 -1.23 . . . . 0.0 110.802 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.517 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 55.8 m-70 -70.59 -40.04 73.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.429 -1.419 . . . . 0.0 111.56 -178.308 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.604 ' OG ' HD11 ' B' ' 28' ' ' LEU . 51.6 m -64.98 -11.87 43.65 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.068 -1.02 . . . . 0.0 110.283 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.4 12.55 59.99 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp . . . . . 0 N--CA 1.488 1.467 0 O-C-N 121.211 -1.17 . . . . 0.0 109.047 179.116 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.609 ' CE1' ' CZ ' ' B' ' 71' ' ' PHE . 26.8 t80 . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.107 0.48 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 140.58 36.37 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 105.963 -1.865 . . . . 0.0 105.963 175.346 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.604 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.6 mm? -98.61 152.22 19.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.764 -1.21 . . . . 0.0 110.863 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.481 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 78.6 p -126.23 161.31 28.03 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.973 -1.079 . . . . 0.0 110.513 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.03 -28.94 65.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.935 -1.103 . . . . 0.0 111.659 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.481 ' HB2' ' H ' ' B' ' 29' ' ' SER . 47.1 mt-10 -76.85 -35.44 57.49 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 118.339 -1.344 . . . . 0.0 107.666 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' B' ' 37' ' ' LEU . 50.6 tp -59.93 -49.69 76.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.731 -0.606 . . . . 0.0 110.885 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.18 -35.62 71.87 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.024 -1.047 . . . . 0.0 110.182 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 48.6 t0 -70.03 -28.78 65.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 32' ' ' GLU . 1.1 mm? -66.89 -43.22 83.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.054 -1.029 . . . . 0.0 112.727 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.941 HD22 ' H ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -87.69 -30.85 20.07 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.646 -1.284 . . . . 0.0 113.405 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' B' ' 39' ' ' THR . 13.4 pt20 -78.61 -39.94 35.86 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.486 -1.384 . . . . 0.0 111.678 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 30.0 m -85.38 -50.45 7.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.366 -0.834 . . . . 0.0 112.241 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 71.1 mm-40 -87.47 -49.53 7.15 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -175.365 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.37 35.78 1.01 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.708 -1.245 . . . . 0.0 111.295 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 47.6 t -50.0 132.3 23.06 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 176.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.6 t 154.21 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 118.899 0.772 . . . . 0.0 110.561 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -164.21 -40.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.85 -1.156 . . . . 0.0 110.918 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 45' ' ' LEU . 4.0 mm? -57.19 129.57 42.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.635 -1.291 . . . . 0.0 107.679 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -118.27 146.84 43.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.79 -1.194 . . . . 0.0 108.62 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 48' ' ' GLN . 4.9 m -152.53 -37.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.467 ' N ' HG23 ' B' ' 47' ' ' VAL . 26.8 mt-30 -70.02 -60.27 2.39 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.019 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -70.39 -32.7 70.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.812 -1.18 . . . . 0.0 110.541 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 11.3 p-10 -88.23 83.94 6.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 0.0 109.448 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.96 93.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.632 -0.667 . . . . 0.0 109.897 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.04 -40.0 87.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.256 -0.903 . . . . 0.0 109.026 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.47 83.74 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.425 -0.797 . . . . 0.0 111.955 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -56.06 11.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.78 -1.2 . . . . 0.0 111.446 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.35 -43.69 96.98 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.491 -1.381 . . . . 0.0 111.351 -176.697 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -70.02 -40.06 75.45 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.464 -0.772 . . . . 0.0 112.445 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.1 mt -78.04 -50.12 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.806 -1.183 . . . . 0.0 110.411 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 7.1 tpt -62.33 -42.97 99.82 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.319 -0.863 . . . . 0.0 111.43 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.91 -34.82 71.91 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.932 -1.105 . . . . 0.0 110.383 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -93.36 -27.14 16.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.15 -0.968 . . . . 0.0 109.912 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' B' ' 57' ' ' ILE . 39.7 tp -70.97 -35.14 72.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 18.2 t0 -76.89 56.98 1.25 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.599 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.547 ' H ' ' C ' ' B' ' 61' ' ' LEU . 21.9 pt-20 -49.93 -20.03 0.83 Allowed 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 111.229 -2.714 . . . . 0.0 110.45 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -85.22 1.8 46.59 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.69 34.78 83.56 Favored Glycine 0 N--CA 1.498 2.77 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.287 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.1 p-10 -99.33 -10.83 21.82 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.779 -1.424 . . . . 0.0 110.507 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.85 -5.58 74.69 Favored Glycine 0 N--CA 1.497 2.753 0 O-C-N 120.703 -1.248 . . . . 0.0 110.251 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.02 143.43 48.08 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.5 t -101.95 133.16 46.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 O-C-N 121.048 -1.033 . . . . 0.0 111.408 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.3 t0 -78.86 154.27 29.92 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CE1' ' B' ' 26' ' ' TYR . 12.8 m-85 -59.58 -39.15 83.18 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.12 -0.987 . . . . 0.0 108.67 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.21 -40.0 88.59 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.115 -0.991 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -68.32 -39.98 81.8 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.598 -1.314 . . . . 0.0 110.572 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.73 ' O ' HG22 ' B' ' 78' ' ' VAL . 41.6 t80 -64.35 -53.67 45.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.576 -0.703 . . . . 0.0 112.236 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.03 -32.06 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.858 -0.527 . . . . 0.0 111.741 -177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.0 -58.19 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.081 -1.012 . . . . 0.0 111.784 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.1 -43.17 83.2 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.994 -1.066 . . . . 0.0 112.558 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.73 HG22 ' O ' ' B' ' 74' ' ' PHE . 28.8 m -64.75 -38.16 81.98 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 O-C-N 120.858 -1.152 . . . . 0.0 111.402 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.553 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -78.61 -27.39 45.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.452 -0.78 . . . . 0.0 110.141 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.15 63.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.96 -1.087 . . . . 0.0 110.107 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.15 -39.2 10.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.369 -0.832 . . . . 0.0 109.454 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.5 t -61.47 -46.84 88.34 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.062 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.483 HG13 ' N ' ' B' ' 84' ' ' ALA . 7.7 p -77.04 -40.92 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.018 -1.051 . . . . 0.0 110.503 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.483 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -59.98 -33.36 71.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.248 -0.908 . . . . 0.0 110.048 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.36 -40.02 85.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.403 -0.81 . . . . 0.0 109.721 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -60.85 -40.12 91.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 110.656 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.029 -1.045 . . . . 0.0 111.151 -179.184 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 6' ' ' HIS . . . . . 0.425 ' O ' ' OG ' ' C' ' 10' ' ' SER . 81.3 t60 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.077 0.465 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.88 -49.91 75.86 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.61 -1.306 . . . . 0.0 111.262 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 50.7 tp -73.27 -53.54 10.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.981 -1.075 . . . . 0.0 111.627 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 2.6 mp -70.03 -40.02 75.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.993 -1.067 . . . . 0.0 111.774 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 10' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' C' ' 6' ' ' HIS . 24.0 p . . . . . 0 N--CA 1.497 1.876 0 O-C-N 120.402 -1.436 . . . . 0.0 109.662 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 6' ' ' HIS . . . . . 0.411 ' O ' ' CB ' ' D' ' 10' ' ' SER . 81.4 t60 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 120.995 0.426 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -60.04 -49.6 77.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.611 -1.306 . . . . 0.0 111.265 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 51.5 tp -73.39 -53.56 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.007 -1.058 . . . . 0.0 111.594 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 9' ' ' LEU . . . . . 0.544 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.7 mp -70.04 -40.0 75.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.946 -1.096 . . . . 0.0 111.781 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 10' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' D' ' 6' ' ' HIS . 23.4 p . . . . . 0 N--CA 1.494 1.774 0 O-C-N 120.33 -1.481 . . . . 0.0 109.579 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.499 1.976 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.77 -54.86 36.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 110.383 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.559 ' CG ' HG21 ' B' ' 14' ' ' VAL . 82.6 mt -59.39 -40.06 85.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.374 -0.829 . . . . 0.0 110.585 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -42.48 66.4 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.707 HG22 HG21 ' B' ' 10' ' ' THR . 0.3 OUTLIER -71.54 -33.84 69.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.646 179.084 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.09 -52.8 59.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 109.761 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.262 -0.899 . . . . 0.0 111.009 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 74.8 mm-40 -62.18 -40.02 94.62 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.966 -1.084 . . . . 0.0 110.547 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.691 HG21 HG22 ' B' ' 6' ' ' THR . 2.3 p -69.92 -44.63 69.23 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.661 0.743 . . . . 0.0 110.479 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 94.6 mt -60.03 -41.91 93.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.85 -0.531 . . . . 0.0 112.131 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mt -82.47 -26.48 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.904 -1.123 . . . . 0.0 111.289 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 -62.48 -40.01 95.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.453 -1.404 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 m -83.57 -35.13 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.788 -0.57 . . . . 0.0 111.275 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.1 m-30 -59.9 -52.62 64.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.883 -1.136 . . . . 0.0 110.73 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -77.27 -24.95 50.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.392 -0.817 . . . . 0.0 111.539 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.28 -60.46 2.22 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.49 -1.381 . . . . 0.0 110.816 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -70.41 -39.69 74.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.833 -1.167 . . . . 0.0 111.436 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 35.0 t -57.08 -18.36 14.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.071 -1.018 . . . . 0.0 110.833 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.99 20.06 9.97 Favored Glycine 0 N--CA 1.504 3.169 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.066 -1.256 . . . . 0.0 109.712 -179.42 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 25.6 p90 . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 122.46 1.124 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' A' ' 19' ' ' SER . 48.7 tptt -143.27 142.39 31.35 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 28' ' ' LEU . 34.0 tp -94.05 148.18 22.42 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 28.7 t -131.38 165.59 23.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.521 -0.737 . . . . 0.0 109.414 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -57.19 -41.11 78.71 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.726 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -74.46 -32.05 62.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.507 -1.371 . . . . 0.0 109.937 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -75.61 -40.78 55.87 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.695 ' C ' HD23 ' A' ' 33' ' ' LEU . 2.4 tt -59.99 -45.81 91.5 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.583 0.706 . . . . 0.0 111.364 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.611 ' N ' HD23 ' A' ' 33' ' ' LEU . 83.2 tttt -62.56 -44.41 96.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.546 -0.721 . . . . 0.0 112.266 -177.251 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 56.9 t0 -72.13 -28.77 63.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.358 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.9 tp -62.03 -39.98 94.16 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.548 -0.72 . . . . 0.0 111.513 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.89 -35.26 22.28 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.674 -1.266 . . . . 0.0 113.648 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 39' ' ' THR . 3.5 pt20 -70.03 -40.05 75.4 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.394 -1.441 . . . . 0.0 110.998 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 69.1 m -78.04 -58.07 3.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.478 -177.185 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.59 ' CB ' HD12 ' B' ' 4' ' ' LEU . 57.4 mp0 -73.46 -51.24 17.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.295 -0.878 . . . . 0.0 111.089 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -101.8 66.22 1.04 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.081 -1.012 . . . . 0.0 108.712 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.9 t -79.82 -20.85 45.13 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -103.03 -5.22 23.58 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 120.699 -1.251 . . . . 0.0 112.845 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.09 -93.41 0.47 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.629 -1.294 . . . . 0.0 110.073 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.04 130.6 47.53 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.192 -0.943 . . . . 0.0 108.521 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.83 166.88 14.85 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 54' ' ' VAL . 7.5 m -154.82 -38.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.478 ' N ' HG23 ' A' ' 47' ' ' VAL . 27.5 mt-30 -70.13 -35.98 74.46 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.663 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' NZ ' ' OD2' ' A' ' 50' ' ' ASP . 18.9 pttp -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.533 -1.354 . . . . 0.0 110.724 -177.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 86.5 m-20 -123.67 120.31 32.37 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.397 -0.814 . . . . 0.0 110.18 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.89 -32.25 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 3.3 p30 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.96 -39.95 94.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.283 -0.886 . . . . 0.0 110.836 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 47' ' ' VAL . 54.6 t -69.99 -56.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.309 -0.87 . . . . 0.0 112.281 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 65.8 t0 -64.74 -41.51 95.89 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 120.661 -1.274 . . . . 0.0 111.311 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.01 -38.77 76.05 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.905 -1.122 . . . . 0.0 111.639 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 88.7 mt -76.28 -53.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.181 -0.949 . . . . 0.0 110.288 -178.219 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -44.46 96.85 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 112.665 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -70.03 -37.71 75.66 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.642 -1.286 . . . . 0.0 109.895 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -86.94 -15.96 37.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.047 -1.033 . . . . 0.0 108.904 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' C ' ' H ' ' A' ' 63' ' ' GLU . 54.0 tp -89.88 -15.61 31.81 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.579 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 10.2 t70 -92.13 51.14 1.75 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 102.695 -3.076 . . . . 0.0 102.695 174.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.2 tt0 -49.42 -26.03 2.98 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 110.472 -3.058 . . . . 0.0 111.032 -177.255 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -82.44 -2.36 52.96 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.34 32.35 83.89 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.108 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 15.6 p-10 -99.02 -11.91 21.07 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.845 -1.385 . . . . 0.0 109.785 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.579 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.92 -11.63 46.87 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.816 -1.177 . . . . 0.0 110.549 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 96.9 mt-10 -126.91 141.2 51.87 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.939 HG12 ' H ' ' A' ' 71' ' ' PHE . 53.3 t -102.27 143.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.605 -0.684 . . . . 0.0 109.962 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 48.7 t0 -90.68 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.939 ' H ' HG12 ' A' ' 69' ' ' VAL . 38.3 m-85 101.92 -25.27 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.25 -40.14 74.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.576 -1.327 . . . . 0.0 108.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HB2' HG13 ' A' ' 69' ' ' VAL . 96.0 mt-10 -72.09 -41.52 67.2 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.703 0.763 . . . . 0.0 110.703 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 78' ' ' VAL . 35.6 t80 -65.74 -51.6 57.92 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.581 -0.7 . . . . 0.0 112.442 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 76' ' ' VAL . 7.9 p -60.22 -39.92 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.821 -0.549 . . . . 0.0 112.203 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.485 ' N ' HG13 ' A' ' 75' ' ' VAL . 42.5 t -66.18 -59.16 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.33 -0.857 . . . . 0.0 111.849 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 tp -66.51 -42.69 86.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.037 -1.039 . . . . 0.0 113.172 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 74' ' ' PHE . 17.4 m -64.24 -39.96 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -0.962 . . . . 0.0 111.663 -177.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.581 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.8 -28.94 63.94 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.467 -0.771 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.23 -26.81 66.71 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.46 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 84.9 mt -87.86 -23.01 24.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.235 -0.915 . . . . 0.0 108.787 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -65.82 -53.89 34.1 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.99 -1.084 . . . . 0.0 109.663 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.35 -40.29 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.404 -0.81 . . . . 0.0 110.619 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.459 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 90.5 m -65.31 -39.99 93.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.339 -0.851 . . . . 0.0 109.574 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 9.4 m120 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.27 -0.894 . . . . 0.0 110.614 -179.044 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.61 -54.74 38.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.416 -0.802 . . . . 0.0 110.4 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.59 HD12 ' CB ' ' A' ' 40' ' ' GLU . 83.7 mt -59.83 -39.98 86.96 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.263 -0.898 . . . . 0.0 110.37 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -52.94 -43.06 66.02 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.691 HG22 HG21 ' A' ' 10' ' ' THR . 0.3 OUTLIER -71.07 -32.63 69.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.461 178.996 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -55.79 -51.82 66.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.841 -1.162 . . . . 0.0 109.532 -176.082 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.58 -0.7 . . . . 0.0 110.928 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.505 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.8 mm-40 -62.24 -40.07 94.92 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.917 -1.115 . . . . 0.0 110.446 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.707 HG21 HG22 ' A' ' 6' ' ' THR . 2.8 p -69.96 -44.61 69.16 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.577 0.703 . . . . 0.0 110.407 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.0 mt -60.03 -41.63 92.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.855 -0.528 . . . . 0.0 112.165 -178.02 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.92 -28.92 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.746 -1.221 . . . . 0.0 110.963 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.2 m-20 -60.33 -40.05 89.24 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.66 -1.275 . . . . 0.0 109.904 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.568 HG22 ' O ' ' B' ' 10' ' ' THR . 2.1 m -84.14 -34.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.2 m-30 -59.94 -52.28 66.08 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.011 -1.055 . . . . 0.0 110.709 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -77.56 -24.66 49.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.383 -0.823 . . . . 0.0 111.551 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.59 -60.77 2.07 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.559 -1.338 . . . . 0.0 110.708 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -70.1 -39.78 75.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.746 -1.221 . . . . 0.0 111.412 -178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 34.8 t -56.88 -18.42 13.08 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.026 -1.046 . . . . 0.0 110.859 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.01 19.79 10.04 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.128 -1.219 . . . . 0.0 109.839 -179.387 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 24.9 p90 . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 122.386 1.089 . . . . 0.0 109.727 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' B' ' 19' ' ' SER . 49.2 tptt -143.34 142.41 31.29 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 28' ' ' LEU . 33.6 tp -93.99 148.2 22.39 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 29.2 t -131.93 164.39 26.23 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.576 -0.702 . . . . 0.0 109.47 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -56.1 -41.14 74.76 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.704 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.16 -31.24 60.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.431 -1.418 . . . . 0.0 109.763 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.499 ' HB2' ' H ' ' B' ' 29' ' ' SER . 99.3 mt-10 -75.7 -40.66 55.37 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.696 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.4 tt -60.01 -46.2 90.28 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.609 0.719 . . . . 0.0 111.272 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.621 ' N ' HD23 ' B' ' 33' ' ' LEU . 82.9 tttt -62.01 -44.67 96.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 112.282 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.8 t0 -72.18 -28.55 63.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.983 -1.073 . . . . 0.0 109.38 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.457 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.6 tp -62.13 -40.02 94.52 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 111.577 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.74 -35.89 22.15 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.676 -1.265 . . . . 0.0 113.53 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' B' ' 39' ' ' THR . 3.5 pt20 -69.54 -39.97 77.16 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.368 -1.458 . . . . 0.0 111.058 -177.107 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 63.4 m -78.06 -58.29 3.34 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.409 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.559 ' CB ' HD12 ' A' ' 4' ' ' LEU . 57.7 mp0 -73.43 -51.1 18.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 111.126 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mt -101.88 66.27 1.03 Allowed 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.083 -1.01 . . . . 0.0 108.66 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -79.98 -20.52 45.33 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -103.36 -4.65 23.88 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.749 -1.219 . . . . 0.0 112.864 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.47 -93.43 0.47 Allowed 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.803 -1.186 . . . . 0.0 110.012 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.1 130.81 48.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.04 166.83 15.07 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' B' ' 54' ' ' VAL . 6.6 m -154.87 -38.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.478 ' N ' HG23 ' B' ' 47' ' ' VAL . 27.5 mt-30 -70.07 -36.13 74.72 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.73 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.495 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 18.8 pttp -59.8 -39.95 86.69 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.558 -1.339 . . . . 0.0 110.707 -177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.495 ' OD2' ' NZ ' ' B' ' 49' ' ' LYS . 86.7 m-20 -123.8 120.09 31.63 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.308 -0.87 . . . . 0.0 110.246 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.8 71.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 3.3 p30 -62.22 -34.21 76.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.2 -37.11 84.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.458 -0.776 . . . . 0.0 111.156 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.557 HG22 ' HB ' ' B' ' 47' ' ' VAL . 56.7 t -72.25 -56.5 9.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 O-C-N 121.193 -0.942 . . . . 0.0 112.201 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.75 -41.49 95.88 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.817 -1.177 . . . . 0.0 111.278 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.05 -38.77 75.89 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.026 -1.046 . . . . 0.0 111.543 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' B' ' 61' ' ' LEU . 88.7 mt -76.35 -53.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -45.08 96.17 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.0 -37.64 75.74 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.728 -1.232 . . . . 0.0 109.968 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -86.89 -16.0 37.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 108.908 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' B' ' 63' ' ' GLU . 55.1 tp -89.91 -15.52 31.92 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 10.2 t70 -92.16 51.19 1.75 Allowed 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 102.661 -3.089 . . . . 0.0 102.661 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.0 tt0 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 110.393 -3.094 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -82.37 -2.63 53.55 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.32 32.27 83.65 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.078 177.714 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 16.4 p-10 -98.72 -12.0 21.4 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.79 -1.418 . . . . 0.0 109.678 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.59 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.83 -11.54 46.73 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.406 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.5 mt-10 -126.44 142.47 51.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.95 HG12 ' H ' ' B' ' 71' ' ' PHE . 53.8 t -103.06 144.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.432 -0.793 . . . . 0.0 109.848 -178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 48.8 t0 -90.65 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.071 -1.018 . . . . 0.0 109.912 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.95 ' H ' HG12 ' B' ' 69' ' ' VAL . 38.0 m-85 101.81 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.18 -40.15 74.82 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.601 -1.312 . . . . 0.0 108.682 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.508 ' HB2' HG13 ' B' ' 69' ' ' VAL . 96.3 mt-10 -72.08 -41.38 67.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.486 -0.759 . . . . 0.0 110.725 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.682 ' O ' HG22 ' B' ' 78' ' ' VAL . 36.6 t80 -65.89 -51.84 55.27 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.611 -0.681 . . . . 0.0 112.364 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.492 HG13 ' N ' ' B' ' 76' ' ' VAL . 7.9 p -59.96 -40.09 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.888 -0.508 . . . . 0.0 112.137 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.492 ' N ' HG13 ' B' ' 75' ' ' VAL . 41.4 t -66.1 -59.33 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.219 -0.925 . . . . 0.0 111.834 -177.616 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.23 -42.82 88.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.065 -1.022 . . . . 0.0 113.124 -175.747 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.682 HG22 ' O ' ' B' ' 74' ' ' PHE . 17.0 m -64.3 -39.67 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.033 -1.042 . . . . 0.0 111.596 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.583 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.96 -29.14 63.96 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.492 -0.755 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -20.96 64.58 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.475 -0.766 . . . . 0.0 108.948 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 89.8 mt -92.72 -22.85 19.15 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.11 -53.48 37.42 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.918 -1.113 . . . . 0.0 109.604 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.415 ' H ' HG23 ' B' ' 83' ' ' VAL . 2.1 t -79.69 -40.36 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.251 -0.905 . . . . 0.0 110.705 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.46 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 93.8 m -65.26 -39.98 93.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.494 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.407 ' HA ' HD21 ' B' ' 86' ' ' ASN . 9.4 m120 -60.12 -39.96 88.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -0.88 . . . . 0.0 109.723 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.142 -0.974 . . . . 0.0 110.664 -179.161 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 35.6 m170 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -55.45 32.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 110.617 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -70.68 -41.89 71.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.675 -1.265 . . . . 0.0 110.786 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -40.85 96.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.955 . . . . 0.0 109.146 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 53.9 m . . . . . 0 C--N 1.3 -1.576 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.767 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 35.3 m170 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -54.91 39.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 tp -71.21 -42.53 68.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.618 -1.301 . . . . 0.0 110.393 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.49 -41.08 98.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.101 -0.999 . . . . 0.0 109.147 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.302 -1.486 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.443 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.4 mt-10 -70.12 -56.77 6.04 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 5.3 tt -46.85 -34.04 5.02 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.123 -1.611 . . . . 0.0 110.346 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -47.26 -42.78 21.25 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.313 1.054 . . . . 0.0 108.191 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 10' ' ' THR . 68.2 p -60.06 -36.15 76.71 Favored 'General case' 0 C--O 1.199 -1.561 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -50.42 -54.25 23.33 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.501 -0.75 . . . . 0.0 111.472 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.1 -48.12 83.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.558 -1.339 . . . . 0.0 112.171 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.0 -26.86 63.32 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.714 -1.241 . . . . 0.0 114.021 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 11' ' ' LEU . 4.3 t -77.82 -49.16 14.85 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.082 -1.636 . . . . 0.0 111.395 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' HG23 ' A' ' 10' ' ' THR . 1.4 pp -69.4 -34.35 74.36 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.046 -1.034 . . . . 0.0 111.777 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -76.31 -30.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.419 -1.426 . . . . 0.0 110.632 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -62.48 -40.1 95.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.29 -1.506 . . . . 0.0 109.196 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 19.7 m -76.47 -31.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.617 0.723 . . . . 0.0 109.642 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -59.96 -49.83 76.15 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.817 0.818 . . . . 0.0 110.463 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -78.37 -22.66 47.57 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.762 -0.586 . . . . 0.0 111.277 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.92 2.56 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.559 -1.338 . . . . 0.0 111.189 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.561 ' HB2' HD21 ' A' ' 36' ' ' LEU . 77.1 m80 -67.96 -40.02 83.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.545 -1.347 . . . . 0.0 110.185 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -64.74 -13.86 56.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 0.0 110.802 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 12.85 60.63 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm . . . . . 0 C--N 1.306 -1.288 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.943 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 40.7 p90 . . . . . 0 N--CA 1.5 2.034 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -141.19 140.14 33.96 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.26 157.27 16.04 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.593 -1.317 . . . . 0.0 111.151 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 96.2 p -125.03 159.91 30.23 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 79.0 tttt -43.84 -39.59 3.95 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.952 -1.092 . . . . 0.0 111.734 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.34 -25.17 36.61 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.775 -1.203 . . . . 0.0 112.776 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' A' ' 29' ' ' SER . 41.0 mt-10 -77.34 -39.98 45.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.47 -1.394 . . . . 0.0 110.681 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.406 HD22 HG21 ' A' ' 69' ' ' VAL . 2.7 pp -75.19 -36.88 61.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.444 -0.785 . . . . 0.0 110.162 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.94 -40.4 88.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 0.0 110.664 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.89 -25.58 59.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.138 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 18' ' ' HIS . 14.4 mt -71.08 -38.46 72.43 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.924 -1.11 . . . . 0.0 112.251 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 45' ' ' LEU . 17.3 mt -78.11 -39.99 39.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.69 -1.256 . . . . 0.0 111.269 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.501 ' NE2' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -66.42 -37.55 85.46 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.823 -1.173 . . . . 0.0 109.339 -179.529 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.2 m -76.77 -52.83 8.84 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.746 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' OE2' ' CG2' ' A' ' 14' ' ' VAL . 97.3 mt-10 -69.78 -47.29 63.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.702 -0.624 . . . . 0.0 111.953 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.59 68.3 0.66 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.118 -0.989 . . . . 0.0 110.144 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.5 t -76.98 138.72 39.81 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER 78.61 -8.08 1.7 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.503 -0.748 . . . . 0.0 110.716 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -113.66 -85.58 0.59 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.782 HD12 HG13 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -76.4 136.7 39.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.207 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -118.6 151.2 38.36 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.885 -1.134 . . . . 0.0 108.627 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.457 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 3.2 m -152.61 -38.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 88.9 mt-30 -74.11 -40.27 62.8 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.155 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -64.67 -45.7 85.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.163 -0.961 . . . . 0.0 110.771 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -107.64 110.56 22.46 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.716 0.769 . . . . 0.0 110.751 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.45 69.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 17.2 p-10 -67.8 -23.9 65.24 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.91 -39.94 65.92 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.172 -0.955 . . . . 0.0 110.543 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 12.6 t -69.72 -52.62 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.446 -0.784 . . . . 0.0 111.479 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.477 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.0 m-20 -59.89 -39.89 86.88 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 120.669 -1.269 . . . . 0.0 110.42 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -39.33 75.5 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.054 -1.029 . . . . 0.0 112.101 -177.464 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -81.54 -52.87 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.219 -1.55 . . . . 0.0 109.842 -179.474 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 tmt? -60.27 -47.92 83.93 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.482 -0.761 . . . . 0.0 112.349 -177.013 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.51 -36.59 79.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.43 -1.419 . . . . 0.0 109.831 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.09 -16.65 32.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.021 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' ILE . 60.2 tp -86.64 -12.98 46.92 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 65' ' ' GLY . 41.6 t0 -98.59 43.62 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 173.69 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 61' ' ' LEU . 48.3 tp10 -37.57 -19.41 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 110.512 -3.04 . . . . 0.0 110.817 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 62' ' ' ASP . 89.1 m-20 -85.61 0.12 53.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.615 -1.303 . . . . 0.0 107.943 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.01 38.11 94.99 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 121.179 -0.534 . . . . 0.0 111.839 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.9 p30 -102.13 -9.74 20.26 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.401 . . . . 0.0 110.719 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 83.06 -9.28 60.88 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 120.581 -1.324 . . . . 0.0 110.761 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 65.1 mt-10 -118.91 144.4 46.44 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.406 HG21 HD22 ' A' ' 33' ' ' LEU . 53.0 t -106.97 134.16 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.058 -1.027 . . . . 0.0 111.12 -177.211 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 14.5 t70 -84.78 160.39 20.26 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 50.6 p90 -60.43 -39.63 88.17 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.024 -1.048 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.48 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.2 tt0 -61.15 -40.01 92.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.504 -1.372 . . . . 0.0 110.473 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.717 -1.24 . . . . 0.0 111.362 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -67.1 -49.6 64.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.011 -1.056 . . . . 0.0 111.396 -178.419 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.604 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 8.4 p -59.91 -37.38 71.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 121.198 -0.939 . . . . 0.0 111.984 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.89 -60.8 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.722 -1.236 . . . . 0.0 111.466 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.65 -48.92 70.53 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.919 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.782 HG13 HD12 ' A' ' 45' ' ' LEU . 69.9 t -60.17 -39.81 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 O-C-N 121.306 -0.872 . . . . 0.0 111.542 -178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -69.69 -24.5 63.6 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.282 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.79 59.37 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.326 -0.859 . . . . 0.0 110.591 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.3 mt -90.93 -47.01 7.84 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.912 -1.117 . . . . 0.0 111.075 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 83' ' ' VAL . 6.4 t -60.56 -47.84 84.41 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.103 -0.998 . . . . 0.0 110.186 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.554 ' N ' HG23 ' A' ' 82' ' ' THR . 9.2 p -67.07 -39.93 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.093 -1.004 . . . . 0.0 109.541 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -65.59 -23.92 66.95 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.682 -0.636 . . . . 0.0 109.864 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -70.05 -40.05 75.35 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.994 -1.066 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -62.39 -40.24 95.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 110.371 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.098 -1.001 . . . . 0.0 110.441 -179.263 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 121.452 0.644 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' B' ' 4' ' ' LEU . 98.5 mt-10 -70.07 -56.53 6.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.084 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' B' ' 7' ' ' ALA . 5.7 tt -47.36 -33.81 6.25 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.1 -1.625 . . . . 0.0 110.262 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -47.06 -42.9 19.49 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 122.503 1.144 . . . . 0.0 108.196 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.466 ' O ' HG22 ' B' ' 10' ' ' THR . 66.5 p -60.03 -35.07 74.3 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 4' ' ' LEU . . . -51.28 -53.69 33.26 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.101 0.953 . . . . 0.0 111.464 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.24 -48.82 80.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.879 -1.138 . . . . 0.0 111.958 -177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.58 -27.26 63.98 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.772 -1.205 . . . . 0.0 114.079 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.539 HG23 ' N ' ' B' ' 11' ' ' LEU . 4.4 t -77.53 -49.62 14.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 119.935 -1.728 . . . . 0.0 111.172 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.539 ' N ' HG23 ' B' ' 10' ' ' THR . 1.7 pp -68.74 -34.74 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.049 -1.032 . . . . 0.0 111.858 -177.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.03 -33.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.201 -1.562 . . . . 0.0 110.347 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.02 -40.13 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.601 -1.312 . . . . 0.0 109.031 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.435 ' CG2' ' OE2' ' B' ' 40' ' ' GLU . 16.9 m -76.92 -31.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 CA-C-O 121.739 0.781 . . . . 0.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.2 -49.71 76.53 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.715 0.769 . . . . 0.0 110.434 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.41 ' HA ' ' HG ' ' B' ' 19' ' ' SER . 53.9 t-80 -78.54 -22.22 47.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.726 -0.608 . . . . 0.0 111.376 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -59.9 2.58 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.673 -1.267 . . . . 0.0 111.217 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.575 ' HB2' HD21 ' B' ' 36' ' ' LEU . 76.9 m80 -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.603 -1.311 . . . . 0.0 110.361 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.41 ' HG ' ' HA ' ' B' ' 16' ' ' HIS . 74.2 p -64.92 -13.55 57.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.655 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.88 12.35 60.84 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.086 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 39.0 p90 . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -142.04 140.32 32.58 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.27 157.19 16.09 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.684 -1.26 . . . . 0.0 111.132 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.496 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 88.6 p -125.05 159.76 30.61 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.423 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 78.3 tttt -43.77 -39.75 3.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.907 -1.121 . . . . 0.0 111.74 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -80.48 -25.38 38.84 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.805 -1.185 . . . . 0.0 112.666 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.496 ' HB2' ' H ' ' B' ' 29' ' ' SER . 41.1 mt-10 -77.52 -40.01 44.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.512 -1.367 . . . . 0.0 110.871 -178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.413 HD22 HG21 ' B' ' 69' ' ' VAL . 2.6 pp -75.28 -36.93 61.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.9 -40.23 88.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.065 -1.022 . . . . 0.0 110.752 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.97 -25.29 58.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.814 -1.179 . . . . 0.0 110.286 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' B' ' 18' ' ' HIS . 14.3 mt -71.44 -38.12 71.37 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.918 -1.114 . . . . 0.0 112.31 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' B' ' 45' ' ' LEU . 15.9 mt -78.26 -41.02 35.33 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.591 -1.318 . . . . 0.0 110.934 -177.688 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.496 ' NE2' ' C ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -64.85 -37.81 88.87 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.992 -1.067 . . . . 0.0 109.273 -179.188 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.92 -52.89 8.62 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.692 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.435 ' OE2' ' CG2' ' B' ' 14' ' ' VAL . 97.2 mt-10 -69.93 -47.02 64.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.689 -0.632 . . . . 0.0 111.992 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mt -111.64 68.02 0.66 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.209 -0.932 . . . . 0.0 110.111 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' B' ' 43' ' ' SER . 44.9 t -76.7 138.39 39.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 78.93 -7.78 1.73 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.429 -0.794 . . . . 0.0 110.809 178.851 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -113.99 -85.91 0.59 Allowed 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.768 HD12 HG13 ' B' ' 78' ' ' VAL . 0.1 OUTLIER -76.06 137.09 39.96 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 106.959 -1.496 . . . . 0.0 106.959 178.16 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -118.7 151.27 38.28 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.001 -1.062 . . . . 0.0 108.612 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.441 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 3.1 m -152.41 -39.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.431 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 91.1 mt-30 -73.94 -40.09 63.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.4 -46.03 85.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.052 -1.03 . . . . 0.0 110.759 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -107.65 110.08 21.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 0.0 110.777 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.13 69.98 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 17.1 p-10 -67.62 -24.4 65.46 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.199 -0.938 . . . . 0.0 108.656 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -39.68 66.87 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.305 -0.872 . . . . 0.0 110.735 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 17.1 t -70.07 -52.75 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.358 -0.839 . . . . 0.0 111.426 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.423 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 98.1 m-20 -59.98 -39.96 87.47 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.833 -1.167 . . . . 0.0 110.378 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -39.66 75.7 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.838 -1.164 . . . . 0.0 112.199 -177.713 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.1 pp -80.61 -53.39 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 120.012 -1.68 . . . . 0.0 109.765 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.467 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 tmt? -60.21 -47.56 85.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.518 -0.739 . . . . 0.0 112.526 -176.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.48 -36.42 78.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.472 -1.393 . . . . 0.0 109.753 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -88.62 -16.6 32.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.061 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' B' ' 57' ' ' ILE . 64.3 tp -86.49 -12.86 47.72 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 65' ' ' GLY . 42.0 t0 -98.47 43.72 1.05 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 173.475 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 61' ' ' LEU . 48.7 tp10 -37.21 -19.85 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 110.478 -3.055 . . . . 0.0 110.839 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' B' ' 62' ' ' ASP . 89.9 m-20 -85.43 -0.02 53.62 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.562 -1.336 . . . . 0.0 108.012 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.88 37.78 94.29 Favored Glycine 0 N--CA 1.492 2.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.858 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.9 p30 -101.27 -10.01 20.72 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.858 -1.378 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 83.03 -8.67 62.59 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 120.683 -1.26 . . . . 0.0 110.671 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.578 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 64.4 mt-10 -119.53 144.31 47.11 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.413 HG21 HD22 ' B' ' 33' ' ' LEU . 54.8 t -106.32 133.79 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.019 -1.051 . . . . 0.0 111.396 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.417 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 14.4 t70 -84.06 160.58 20.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 50.7 p90 -60.64 -39.8 89.65 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.937 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.471 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 60.7 tt0 -61.12 -40.03 92.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.528 -1.357 . . . . 0.0 110.304 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.78 -40.03 76.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.738 -1.226 . . . . 0.0 111.381 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -66.84 -50.03 63.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.166 -0.959 . . . . 0.0 111.376 -178.433 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.585 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 8.6 p -60.06 -36.93 70.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.271 -0.893 . . . . 0.0 112.077 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.64 -60.6 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.669 -1.269 . . . . 0.0 111.502 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.47 -48.91 71.03 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.728 -1.232 . . . . 0.0 111.769 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.768 HG13 HD12 ' B' ' 45' ' ' LEU . 75.4 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.305 -0.872 . . . . 0.0 111.805 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.491 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -69.82 -24.29 63.45 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.361 -0.837 . . . . 0.0 109.279 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -20.18 59.4 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.0 110.818 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 mt -93.96 -46.72 7.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.806 -1.184 . . . . 0.0 110.55 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.7 t -60.6 -47.68 85.11 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.522 ' N ' HG23 ' B' ' 82' ' ' THR . 8.5 p -67.59 -39.95 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.213 -0.929 . . . . 0.0 109.309 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.471 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -64.79 -24.5 67.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.685 -0.634 . . . . 0.0 110.012 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.09 -39.92 75.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.082 -1.011 . . . . 0.0 109.861 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -62.47 -40.04 95.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.037 -1.04 . . . . 0.0 110.306 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.064 -1.022 . . . . 0.0 110.515 -179.188 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m170 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.323 0.582 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -60.11 -50.44 73.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.33 -0.856 . . . . 0.0 111.438 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.09 -50.01 73.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.735 -1.228 . . . . 0.0 111.359 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.1 -39.04 91.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.886 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.079 -179.388 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 m170 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.451 0.643 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.98 -50.65 72.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 0.0 111.557 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.07 -49.95 73.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.835 -1.166 . . . . 0.0 111.409 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.85 -39.18 90.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.128 -0.983 . . . . 0.0 109.801 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.202 -179.385 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.519 ' OE2' ' ND2' ' B' ' 13' ' ' ASN . 98.0 mt-10 -59.96 -55.48 33.52 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 110.386 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.618 HD12 ' CB ' ' B' ' 40' ' ' GLU . 97.4 mt -60.03 -38.67 83.4 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.993 -1.067 . . . . 0.0 110.705 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.44 -43.52 68.1 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.723 -1.236 . . . . 0.0 108.519 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.5 p -70.36 -36.84 74.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.354 -0.841 . . . . 0.0 110.353 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -52.09 -56.17 16.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.763 -178.053 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mmm -60.01 -34.2 73.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.981 -1.075 . . . . 0.0 110.105 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.34 -40.02 95.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 110.191 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.428 HG21 ' OG1' ' B' ' 6' ' ' THR . 19.8 p -69.11 -46.58 67.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.588 0.709 . . . . 0.0 110.916 -178.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 84.5 mt -60.9 -49.83 75.87 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.514 0.673 . . . . 0.0 111.627 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.14 -39.84 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.364 -0.835 . . . . 0.0 112.048 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.523 ' ND2' ' OE2' ' B' ' 3' ' ' GLU . 57.0 t-20 -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.27 -1.519 . . . . 0.0 110.798 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' HG2' ' A' ' 40' ' ' GLU . 7.4 p -81.02 -29.85 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.3 -0.875 . . . . 0.0 110.823 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.5 m-30 -61.41 -55.72 28.31 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.832 -1.167 . . . . 0.0 111.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -75.7 -24.25 56.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.454 -0.779 . . . . 0.0 112.056 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.95 -60.23 2.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.596 -1.315 . . . . 0.0 110.874 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.44 -39.96 81.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.948 -1.095 . . . . 0.0 111.07 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -63.62 -19.82 65.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 112.34 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.76 19.52 33.14 Favored Glycine 0 N--CA 1.503 3.157 0 O-C-N 121.074 -1.016 . . . . 0.0 111.144 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 N--CA 1.495 1.78 0 O-C-N 120.678 -1.484 . . . . 0.0 109.402 179.283 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 21.5 p90 . . . . . 0 N--CA 1.502 2.144 0 CA-C-O 122.234 1.016 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 142.67 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 71' ' ' PHE . 7.0 tp -95.47 147.4 23.58 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.688 -1.258 . . . . 0.0 108.327 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.537 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 53.7 m -130.83 162.44 29.58 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -50.33 -46.27 55.45 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.579 -1.248 . . . . 0.0 110.663 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.06 -34.33 74.99 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.855 -1.153 . . . . 0.0 110.996 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HB2' ' H ' ' A' ' 29' ' ' SER . 97.7 mt-10 -73.96 -36.8 64.63 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.982 0.896 . . . . 0.0 108.594 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.07 -51.07 71.22 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -70.72 -36.48 73.24 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.93 -1.106 . . . . 0.0 112.575 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -68.26 -35.78 78.41 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 14' ' ' VAL . 42.9 tp -61.93 -38.69 89.4 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.7 -0.625 . . . . 0.0 111.801 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 74' ' ' PHE . 89.4 mt -83.93 -37.55 22.17 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.765 -1.209 . . . . 0.0 112.731 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.482 ' NE2' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -70.06 -33.14 71.55 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.71 -1.244 . . . . 0.0 110.403 -178.416 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -75.36 -48.56 22.45 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.521 -0.737 . . . . 0.0 111.686 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.571 ' CB ' HD12 ' B' ' 4' ' ' LEU . 58.1 mp0 -97.88 -46.29 5.99 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.101 -0.999 . . . . 0.0 111.97 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 HD13 ' B' ' 4' ' ' LEU . 1.7 mt -100.85 78.78 1.98 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.783 -1.198 . . . . 0.0 109.221 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' SER . 39.3 m -90.74 142.21 27.99 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.3 p 78.44 -3.27 2.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.521 -0.737 . . . . 0.0 111.103 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -104.06 -78.58 0.56 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.425 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -89.11 130.44 35.55 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 177.638 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CG ' ' NZ ' ' A' ' 49' ' ' LYS . 84.4 m-20 -121.59 77.19 1.32 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.971 0.891 . . . . 0.0 110.253 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 54' ' ' VAL . 4.2 m -78.31 -39.67 24.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 121.827 0.822 . . . . 0.0 110.774 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' N ' HG23 ' A' ' 47' ' ' VAL . 97.7 mt-30 -60.08 -50.07 75.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.55 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -74.43 -37.12 63.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.661 -1.274 . . . . 0.0 110.134 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 54' ' ' VAL . 87.8 m-20 -90.18 88.87 7.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.983 -1.073 . . . . 0.0 109.763 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.27 92.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.566 -0.709 . . . . 0.0 109.585 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 90.4 m-20 -59.82 -39.38 84.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.336 -0.852 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -64.63 -40.04 94.77 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.648 -0.658 . . . . 0.0 111.848 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 47' ' ' VAL . 22.3 t -68.91 -56.9 10.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 120.849 -1.157 . . . . 0.0 112.19 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.22 -40.97 97.14 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.843 -1.16 . . . . 0.0 111.17 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 36.2 mmtm -69.43 -40.03 77.48 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.536 -0.728 . . . . 0.0 111.91 -177.504 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.9 mt -78.99 -51.98 16.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.485 -0.759 . . . . 0.0 111.479 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.536 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -64.2 -43.36 95.28 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.143 -177.766 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.89 -36.26 81.88 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.914 -1.116 . . . . 0.0 108.845 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.87 -17.33 31.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.543 ' C ' ' H ' ' A' ' 63' ' ' GLU . 49.8 tp -86.66 -19.86 28.65 Favored 'General case' 0 N--CA 1.506 2.342 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 65' ' ' GLY . 21.7 m-20 -89.26 48.0 1.56 Allowed 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 102.909 -2.997 . . . . 0.0 102.909 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 61' ' ' LEU . 49.4 tp10 -43.46 -20.17 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 111.352 -2.658 . . . . 0.0 109.776 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' ASP . 79.6 m-20 -87.95 -0.17 56.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.724 -1.235 . . . . 0.0 108.204 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.607 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.85 38.17 95.21 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 27.3 p-10 -101.0 -17.45 16.74 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.887 -1.36 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.76 -10.34 62.7 Favored Glycine 0 N--CA 1.501 3.004 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 49.5 mt-10 -119.18 139.13 52.35 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 68.4 t -103.99 132.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.7 m-20 -86.2 124.06 32.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 109.009 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' A' ' 70' ' ' ASP . 87.0 m-85 -28.66 -35.04 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 O-C-N 122.107 -0.371 . . . . 0.0 111.715 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.7 tt0 -60.54 -40.86 93.09 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.456 -1.403 . . . . 0.0 109.502 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.3 mt-10 -66.26 -39.94 89.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.986 -1.071 . . . . 0.0 109.406 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 37' ' ' LEU . 16.9 t80 -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.86 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.4 p -69.81 -34.64 61.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 O-C-N 120.93 -1.106 . . . . 0.0 110.842 -178.38 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.34 -60.56 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.739 -1.226 . . . . 0.0 112.028 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.99 -40.72 64.99 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.822 -1.174 . . . . 0.0 112.723 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 t -67.44 -39.76 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.62 -1.3 . . . . 0.0 109.741 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -75.3 -25.49 57.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.572 -0.705 . . . . 0.0 109.813 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.73 -25.09 65.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.932 -1.105 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -91.87 -37.43 12.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 109.68 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.7 p -62.0 -48.56 79.79 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.57 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.6 p -74.04 -40.9 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.545 -0.722 . . . . 0.0 110.709 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.513 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.09 -34.15 74.48 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.354 -0.841 . . . . 0.0 111.139 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.68 -47.22 55.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.12 -41.7 93.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.036 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.298 -0.876 . . . . 0.0 110.505 -179.573 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.119 0.485 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE2' ' ND2' ' A' ' 13' ' ' ASN . 97.2 mt-10 -59.64 -55.79 30.06 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.124 -0.985 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 40' ' ' GLU . 95.2 mt -59.89 -38.41 82.17 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.082 -1.011 . . . . 0.0 110.815 -177.045 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -53.71 -43.66 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.648 -1.282 . . . . 0.0 108.35 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 35.7 p -70.25 -35.65 73.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -53.09 -55.78 21.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.647 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.9 mmm -60.15 -34.06 73.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.982 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.38 -39.99 94.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.155 -0.966 . . . . 0.0 110.082 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 21.3 p -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.646 0.736 . . . . 0.0 110.831 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.0 mt -60.6 -49.86 75.83 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.616 -0.678 . . . . 0.0 111.719 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.6 mt -70.25 -39.86 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.041 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.519 ' ND2' ' OE2' ' A' ' 3' ' ' GLU . 56.3 t-20 -59.94 -40.1 87.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.325 -1.484 . . . . 0.0 110.355 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.472 HG21 ' HG2' ' B' ' 40' ' ' GLU . 6.7 p -81.02 -29.8 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.351 -0.843 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.7 m-30 -61.44 -55.73 28.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.801 -1.187 . . . . 0.0 111.165 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -75.66 -23.91 56.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.491 -0.756 . . . . 0.0 112.086 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.29 2.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.732 -1.23 . . . . 0.0 110.895 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.008 -1.058 . . . . 0.0 111.069 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.3 p -63.39 -20.02 65.17 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.383 -0.823 . . . . 0.0 112.255 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.32 19.12 34.9 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.077 -1.014 . . . . 0.0 111.19 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 N--CA 1.494 1.742 0 O-C-N 120.548 -1.56 . . . . 0.0 109.669 179.584 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 26' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 21.4 p90 . . . . . 0 N--CA 1.502 2.164 0 CA-C-O 122.301 1.048 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 142.69 32.3 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' B' ' 71' ' ' PHE . 7.0 tp -95.37 147.19 23.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.709 -1.244 . . . . 0.0 108.372 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.551 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 54.6 m -130.22 162.96 27.76 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -50.78 -46.35 59.51 Favored 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 118.441 -1.303 . . . . 0.0 110.618 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.52 -33.8 73.33 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.819 -1.176 . . . . 0.0 110.846 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.551 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.2 mt-10 -73.99 -36.63 64.53 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.661 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.22 -51.32 70.07 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -70.12 -36.89 75.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.973 -1.08 . . . . 0.0 112.694 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.05 -35.77 78.78 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.719 -1.238 . . . . 0.0 107.737 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.9 -38.71 89.38 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 121.712 -0.618 . . . . 0.0 111.748 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.571 HD21 ' CE2' ' B' ' 74' ' ' PHE . 88.1 mt -83.98 -37.41 22.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.878 -1.139 . . . . 0.0 112.834 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.475 ' NE2' ' C ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -70.03 -33.3 71.81 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.691 -1.256 . . . . 0.0 110.386 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.2 m -75.21 -48.56 22.88 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.531 -0.731 . . . . 0.0 111.679 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.618 ' CB ' HD12 ' A' ' 4' ' ' LEU . 58.1 mp0 -98.0 -46.45 5.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.011 -1.055 . . . . 0.0 111.9 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.443 HD12 HD13 ' A' ' 4' ' ' LEU . 1.7 mt -100.61 78.95 2.04 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.821 -1.174 . . . . 0.0 109.307 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' B' ' 43' ' ' SER . 39.4 m -91.18 142.14 28.05 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.1 p 78.23 -2.67 2.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 111.088 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -104.71 -78.59 0.56 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.426 ' H ' HD22 ' B' ' 45' ' ' LEU . 0.6 OUTLIER -89.09 130.43 35.54 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 177.668 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.454 ' CG ' ' NZ ' ' B' ' 49' ' ' LYS . 84.3 m-20 -121.62 77.03 1.31 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 0.0 110.308 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.597 ' HB ' HG22 ' B' ' 54' ' ' VAL . 4.2 m -78.1 -39.66 25.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 121.884 0.849 . . . . 0.0 110.889 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.562 ' N ' HG23 ' B' ' 47' ' ' VAL . 97.8 mt-30 -60.03 -49.97 75.55 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -175.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.518 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -74.69 -37.32 62.67 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.695 -1.253 . . . . 0.0 110.146 -179.153 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.427 ' O ' HG23 ' B' ' 54' ' ' VAL . 88.6 m-20 -89.97 88.75 7.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.974 -1.079 . . . . 0.0 109.751 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.75 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.6 -0.688 . . . . 0.0 109.559 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' LYS . 91.1 m-20 -60.05 -39.3 85.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 109.279 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.454 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -65.82 -36.97 84.99 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.71 -0.619 . . . . 0.0 112.379 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.597 HG22 ' HB ' ' B' ' 47' ' ' VAL . 21.8 t -70.9 -57.05 8.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 120.727 -1.233 . . . . 0.0 111.961 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.97 -41.03 97.66 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.91 -1.119 . . . . 0.0 111.162 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' B' ' 52' ' ' ASP . 36.9 mmtm -69.5 -39.93 77.29 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.465 -0.772 . . . . 0.0 111.903 -177.578 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.4 mt -78.89 -52.79 14.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.427 -0.796 . . . . 0.0 111.34 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.53 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -62.65 -44.28 96.68 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.421 -0.799 . . . . 0.0 111.603 -178.08 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -66.51 -36.33 82.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.035 -1.041 . . . . 0.0 108.924 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -88.03 -17.48 31.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 109.186 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' B' ' 57' ' ' ILE . 52.4 tp -86.41 -19.89 29.02 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.3 m-20 -89.49 48.23 1.58 Allowed 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 102.794 -3.039 . . . . 0.0 102.794 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 61' ' ' LEU . 49.3 tp10 -43.48 -20.07 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 111.25 -2.705 . . . . 0.0 109.793 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 79.6 m-20 -88.16 -0.15 56.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.713 -1.242 . . . . 0.0 108.173 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.71 35.79 91.47 Favored Glycine 0 N--CA 1.494 2.513 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.501 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 27.4 p-10 -99.24 -17.77 17.94 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.885 -1.362 . . . . 0.0 110.753 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.43 -9.6 64.04 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 50.2 mt-10 -119.07 139.95 50.89 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.463 HG22 ' OD1' ' B' ' 62' ' ' ASP . 88.9 t -104.65 131.85 52.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 O-C-N 121.623 -0.673 . . . . 0.0 109.33 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.6 m-20 -85.82 123.77 31.56 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.01 -1.056 . . . . 0.0 109.101 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.481 ' C ' ' O ' ' B' ' 70' ' ' ASP . 87.8 m-85 -28.36 -35.02 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 O-C-N 122.254 -0.279 . . . . 0.0 111.643 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' B' ' 70' ' ' ASP . 28.5 tt0 -60.86 -40.5 93.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.442 -1.411 . . . . 0.0 109.528 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.2 mt-10 -66.67 -39.92 88.37 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.899 -1.126 . . . . 0.0 109.272 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.571 ' CE2' HD21 ' B' ' 37' ' ' LEU . 17.6 t80 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.867 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 1.2 p -69.07 -35.0 66.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 O-C-N 120.873 -1.142 . . . . 0.0 110.919 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.4 -60.48 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.808 -1.183 . . . . 0.0 112.041 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.92 -40.64 65.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.972 -1.08 . . . . 0.0 112.801 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 t -67.77 -38.76 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.609 -1.307 . . . . 0.0 109.927 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -75.87 -25.72 56.43 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.51 -0.744 . . . . 0.0 109.893 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.82 -21.3 64.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.999 -1.063 . . . . 0.0 109.836 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.0 mt -94.89 -37.67 11.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.207 -0.933 . . . . 0.0 109.315 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -62.03 -48.11 81.75 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.523 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.512 HG13 ' N ' ' B' ' 84' ' ' ALA . 8.9 p -74.4 -41.21 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.464 -0.772 . . . . 0.0 110.676 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.512 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -60.79 -34.27 74.25 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.346 -0.846 . . . . 0.0 111.181 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.57 -47.26 56.03 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.119 -0.988 . . . . 0.0 110.478 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -60.13 -41.76 93.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.059 -1.026 . . . . 0.0 110.076 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.426 -179.556 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -60.87 -33.34 72.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.682 -1.261 . . . . 0.0 110.78 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 57' ' ' ILE . 23.5 tp -60.15 -49.84 76.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.877 -1.14 . . . . 0.0 110.529 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.52 -39.53 93.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.867 -1.145 . . . . 0.0 109.077 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.972 . . . . 0.0 110.509 -179.324 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -60.63 -33.34 72.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.613 -1.304 . . . . 0.0 111.004 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.433 HD13 HD11 ' B' ' 57' ' ' ILE . 22.5 tp -60.03 -50.06 75.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.858 -1.151 . . . . 0.0 110.561 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.46 -39.55 94.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.85 -1.156 . . . . 0.0 109.028 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 0.0 110.645 -179.396 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 120.82 0.343 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 56.0 mp0 -60.53 -57.4 12.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.816 -1.177 . . . . 0.0 110.353 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -51.92 -54.73 25.99 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.43 -1.419 . . . . 0.0 108.278 -178.747 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -45.42 -45.21 12.69 Favored 'General case' 0 C--N 1.29 -1.992 0 O-C-N 121.877 -0.515 . . . . 0.0 109.959 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 19.9 p -66.32 -32.39 73.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.913 -1.117 . . . . 0.0 110.798 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.27 89.93 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.765 -1.209 . . . . 0.0 111.599 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.69 -40.11 84.38 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.128 -1.608 . . . . 0.0 111.171 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.42 -44.7 86.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.875 -1.141 . . . . 0.0 111.835 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.532 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.4 t -73.85 -44.86 54.25 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -71.37 -29.45 64.97 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.89 -0.506 . . . . 0.0 112.131 -177.426 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.3 -35.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.197 -1.565 . . . . 0.0 109.269 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.13 -40.02 88.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.72 -1.238 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.14 -38.62 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.485 -0.759 . . . . 0.0 109.486 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -51.19 -59.06 4.6 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.374 -0.829 . . . . 0.0 111.48 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -71.4 -22.89 61.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.68 -0.637 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -53.3 59.44 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.772 -1.205 . . . . 0.0 110.271 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.41 -39.31 77.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.549 ' OG ' HD11 ' A' ' 28' ' ' LEU . 13.8 m -63.26 -6.9 5.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.137 -0.977 . . . . 0.0 111.014 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.0 18.12 58.03 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.195 -1.18 . . . . 0.0 108.09 179.042 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.9 148.05 43.12 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 121.096 1.771 . . . . 0.0 110.139 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' OG ' ' A' ' 19' ' ' SER . 2.3 mm? -95.74 161.06 14.18 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.568 1.175 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.432 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 58.1 m -126.66 160.06 31.84 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 33' ' ' LEU . 75.5 tttt -44.6 -38.82 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.974 -1.079 . . . . 0.0 111.236 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -80.87 -24.31 38.45 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.765 -1.209 . . . . 0.0 112.343 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' HB2' ' H ' ' A' ' 29' ' ' SER . 96.3 mt-10 -82.74 -40.02 21.1 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.225 -1.547 . . . . 0.0 110.873 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 30' ' ' LYS . 2.9 pp -71.55 -36.99 71.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.243 -0.911 . . . . 0.0 109.96 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.97 -45.4 92.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.93 -25.17 58.7 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.012 -1.055 . . . . 0.0 110.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.31 -39.96 93.15 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 121.423 -0.798 . . . . 0.0 111.98 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -84.25 -36.01 23.01 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.806 -1.184 . . . . 0.0 112.785 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.523 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.4 pp0? -69.93 -33.39 72.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.528 -1.358 . . . . 0.0 110.237 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.523 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 92.6 m -82.15 -52.41 7.01 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.295 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -79.99 -60.05 2.49 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.695 -0.628 . . . . 0.0 111.542 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.18 56.65 2.24 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 122.333 1.063 . . . . 0.0 109.453 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -69.89 -11.2 60.69 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.606 -0.684 . . . . 0.0 110.219 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -71.9 -21.42 61.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.184 -0.947 . . . . 0.0 113.15 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.504 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 44.9 t80 -160.45 -40.82 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.828 -1.795 . . . . 0.0 111.909 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.9 mm? -61.37 132.96 55.21 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 117.753 -1.579 . . . . 0.0 107.103 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.574 ' C ' HG13 ' A' ' 47' ' ' VAL . 39.3 p-10 -82.67 -128.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.701 -1.249 . . . . 0.0 111.745 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 47' ' ' VAL . 0.7 OUTLIER 72.1 17.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -176.559 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -122.51 9.38 9.64 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -175.86 -29.54 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.546 -0.721 . . . . 0.0 109.269 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -94.16 98.58 11.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 109.677 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.37 72.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.69 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.228 -0.92 . . . . 0.0 108.938 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' CB ' ' OD2' ' A' ' 46' ' ' ASP . . . -61.57 -39.98 93.12 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.347 -0.846 . . . . 0.0 111.238 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.91 -55.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 121.043 -1.035 . . . . 0.0 112.362 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.04 -41.37 95.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.712 -1.243 . . . . 0.0 111.517 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -71.4 -39.94 70.84 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.225 -0.922 . . . . 0.0 111.464 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.6 mt -75.0 -53.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.839 -1.163 . . . . 0.0 110.637 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.7 ppp? -63.76 -42.28 97.84 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.126 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' ' 58' ' ' MET . 78.1 tttt -68.03 -39.71 83.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 109.717 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -86.25 -17.32 35.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.973 -1.079 . . . . 0.0 108.777 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 63' ' ' GLU . 55.6 tp -87.57 -16.62 34.05 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.5 m-20 -92.65 47.39 1.29 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 102.641 -3.096 . . . . 0.0 102.641 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 18.2 pt-20 -46.74 -19.78 0.11 Allowed 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 111.31 -2.677 . . . . 0.0 109.977 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -87.05 3.23 46.92 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 62.77 40.42 99.19 Favored Glycine 0 N--CA 1.496 2.635 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.774 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 42.7 p-10 -102.22 -16.7 16.24 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.842 -1.387 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.07 70.88 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 45.1 mt-10 -123.33 140.09 53.37 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.52 129.29 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.124 -0.985 . . . . 0.0 110.745 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.3 157.74 29.1 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.517 -0.739 . . . . 0.0 109.489 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CE2' ' CG1' ' B' ' 83' ' ' VAL . 0.0 OUTLIER -62.33 -28.33 69.67 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.205 -0.935 . . . . 0.0 110.635 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -70.53 -40.0 73.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.538 -1.351 . . . . 0.0 109.166 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.1 -40.0 75.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 78' ' ' VAL . 20.9 t80 -64.31 -52.39 58.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.582 -0.699 . . . . 0.0 112.049 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.98 -35.23 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.718 -0.614 . . . . 0.0 112.13 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.25 -58.75 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.917 -1.115 . . . . 0.0 111.949 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.21 -40.12 78.17 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.074 -1.016 . . . . 0.0 112.325 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.1 m -69.98 -37.52 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 111.205 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.84 -24.02 58.53 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.668 -0.645 . . . . 0.0 109.454 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.51 -29.59 67.24 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 mt -83.83 -36.69 23.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.619 -0.676 . . . . 0.0 109.259 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -64.22 -49.94 69.99 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.4 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.53 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 71.3 t -69.84 -40.98 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-O 121.752 0.787 . . . . 0.0 109.873 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.13 -34.03 74.34 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.738 0.78 . . . . 0.0 109.696 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 48.4 t -62.62 -39.95 95.43 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.83 -36.01 75.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.642 -0.661 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--N 1.301 -1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.297 -179.696 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 120.826 0.346 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.452 ' O ' ' OG1' ' B' ' 6' ' ' THR . 56.0 mp0 -60.55 -57.67 11.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.757 -1.214 . . . . 0.0 110.314 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -55.33 17.97 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.493 -1.379 . . . . 0.0 108.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -45.27 -45.05 11.8 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.941 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 19.3 p -66.67 -32.22 73.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.927 -1.108 . . . . 0.0 110.715 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.32 89.76 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.845 -1.159 . . . . 0.0 111.532 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.54 -40.13 85.03 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.259 -1.525 . . . . 0.0 111.162 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.56 -44.65 86.11 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.095 -1.003 . . . . 0.0 111.735 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.3 t -74.08 -44.51 53.77 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.207 -0.933 . . . . 0.0 111.454 -176.603 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.705 ' C ' HD12 ' B' ' 11' ' ' LEU . 0.3 OUTLIER -71.7 -29.51 64.65 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.825 -0.547 . . . . 0.0 112.047 -177.514 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.33 -36.86 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 119.987 -1.696 . . . . 0.0 108.912 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.37 -40.19 85.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.9 -1.125 . . . . 0.0 109.603 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.44 -39.29 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.309 -0.869 . . . . 0.0 109.497 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -50.81 -59.02 4.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.69 0.757 . . . . 0.0 111.586 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -71.37 -23.0 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.704 -0.622 . . . . 0.0 111.035 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -53.43 57.94 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.698 -1.252 . . . . 0.0 110.207 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.053 -1.029 . . . . 0.0 110.636 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.563 ' OG ' HD11 ' B' ' 28' ' ' LEU . 13.8 m -63.14 -6.49 4.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.151 -0.968 . . . . 0.0 110.96 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.15 17.45 59.27 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.203 -1.175 . . . . 0.0 108.269 179.016 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.68 148.19 43.7 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 121.188 1.813 . . . . 0.0 110.149 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' B' ' 19' ' ' SER . 2.3 mm? -95.74 160.98 14.22 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 122.515 1.15 . . . . 0.0 111.24 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.426 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 57.0 m -126.46 160.21 31.16 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.407 ' HA ' HD21 ' B' ' 33' ' ' LEU . 74.9 tttt -44.68 -38.92 4.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 111.248 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -80.98 -23.87 38.45 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.698 -1.251 . . . . 0.0 112.45 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.426 ' HB2' ' H ' ' B' ' 29' ' ' SER . 96.4 mt-10 -82.82 -40.48 20.3 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.234 -1.541 . . . . 0.0 110.86 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' B' ' 30' ' ' LYS . 2.9 pp -71.07 -37.12 72.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.878 . . . . 0.0 109.981 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.03 -45.15 93.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -75.3 -24.92 57.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.96 -1.087 . . . . 0.0 110.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.46 -39.84 92.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.502 -0.749 . . . . 0.0 112.002 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.1 mt -84.1 -36.74 22.75 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.846 -1.159 . . . . 0.0 112.727 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.532 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.4 pp0? -69.08 -33.66 73.9 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.6 -1.312 . . . . 0.0 110.339 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.532 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 92.5 m -81.99 -52.51 6.97 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.671 0.748 . . . . 0.0 111.421 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -79.95 -60.03 2.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.658 -0.651 . . . . 0.0 111.554 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.22 56.71 2.24 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.333 1.063 . . . . 0.0 109.438 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 p -69.94 -11.5 60.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.755 . . . . 0.0 110.241 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.6 p -71.61 -21.49 61.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.218 -0.927 . . . . 0.0 113.091 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -160.31 -40.93 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 119.738 -1.851 . . . . 0.0 111.825 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 1.9 mm? -61.39 132.96 55.2 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 117.77 -1.572 . . . . 0.0 107.164 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.567 ' C ' HG13 ' B' ' 47' ' ' VAL . 39.0 p-10 -82.76 -128.48 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 0.0 111.71 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 47' ' ' VAL . 0.7 OUTLIER 72.17 17.37 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 -176.344 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -122.16 9.03 9.8 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -175.71 -29.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.645 -0.659 . . . . 0.0 109.35 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -94.37 98.47 10.92 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.813 . . . . 0.0 109.515 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.07 71.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -60.2 -40.11 88.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.965 . . . . 0.0 108.882 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.497 ' CB ' ' OD2' ' B' ' 46' ' ' ASP . . . -62.69 -37.05 84.91 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.426 -0.796 . . . . 0.0 111.708 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.3 t -70.13 -55.53 14.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 120.893 -1.129 . . . . 0.0 112.268 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -64.94 -41.37 95.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.686 -1.259 . . . . 0.0 111.594 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -71.48 -39.91 70.58 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.197 -0.939 . . . . 0.0 111.412 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -74.95 -53.73 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 120.794 -1.191 . . . . 0.0 110.633 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -62.63 -42.98 99.9 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.273 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.454 ' N ' ' SD ' ' B' ' 58' ' ' MET . 77.1 tttt -68.23 -39.74 82.24 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.407 -0.808 . . . . 0.0 109.772 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -86.24 -17.27 35.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.015 -1.053 . . . . 0.0 108.724 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.3 tp -87.75 -16.74 33.37 Favored 'General case' 0 N--CA 1.507 2.408 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 65' ' ' GLY . 46.3 m-20 -92.62 47.65 1.32 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 102.627 -3.101 . . . . 0.0 102.627 173.443 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.3 pt-20 -46.92 -19.61 0.11 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 111.21 -2.723 . . . . 0.0 110.064 -177.745 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -87.3 3.54 46.36 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.621 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 63.48 37.94 95.57 Favored Glycine 0 N--CA 1.497 2.729 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.063 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 43.4 p-10 -100.11 -17.07 17.61 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 120.745 -1.444 . . . . 0.0 111.072 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.71 71.86 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 44.8 mt-10 -123.25 140.6 52.85 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.53 129.44 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.043 -1.036 . . . . 0.0 110.762 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.22 158.0 29.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.502 -0.748 . . . . 0.0 109.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -62.5 -28.32 69.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.229 -0.919 . . . . 0.0 110.611 179.269 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -70.56 -40.05 73.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.439 -1.413 . . . . 0.0 109.1 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.06 -40.05 75.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.212 -0.93 . . . . 0.0 110.289 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.805 ' O ' HG22 ' B' ' 78' ' ' VAL . 22.4 t80 -64.28 -52.78 56.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.573 -0.704 . . . . 0.0 111.999 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.82 -35.37 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.741 -0.6 . . . . 0.0 112.119 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.05 -58.78 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.862 -1.148 . . . . 0.0 112.133 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.04 -40.0 78.85 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.967 -1.083 . . . . 0.0 112.348 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.805 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.9 m -70.09 -37.38 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.868 -1.145 . . . . 0.0 111.435 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.503 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.82 -24.49 58.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.627 -0.671 . . . . 0.0 109.392 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.31 -23.44 61.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.173 -0.954 . . . . 0.0 108.924 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 -36.22 15.88 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -64.44 -49.9 69.67 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.402 -0.919 . . . . 0.0 109.329 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.494 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 72.3 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 109.864 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.51 73.46 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.741 0.782 . . . . 0.0 109.686 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -62.96 -40.02 96.44 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.696 0.76 . . . . 0.0 109.003 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -59.94 -36.0 76.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.966 . . . . 0.0 109.416 -179.653 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 78.1 t60 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.97 0.414 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.528 ' NZ ' ' N ' ' A' ' 53' ' ' ALA . 4.8 tmtt? -59.53 -48.61 80.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.012 -1.055 . . . . 0.0 111.179 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.81 -41.82 74.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.519 -1.363 . . . . 0.0 110.475 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.45 -32.42 73.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.98 -1.075 . . . . 0.0 108.728 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.301 -1.535 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.842 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.2 t60 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.113 0.482 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 7' ' ' LYS . . . . . 0.617 ' NZ ' ' N ' ' B' ' 53' ' ' ALA . 6.3 tmtt? -59.53 -48.5 81.42 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.988 -1.07 . . . . 0.0 111.19 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.77 -42.43 73.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.598 -1.314 . . . . 0.0 110.376 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.79 -32.87 74.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.002 . . . . 0.0 108.676 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 178.947 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 -63.09 -53.02 60.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.455 -0.778 . . . . 0.0 110.065 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.408 HD13 HD23 ' B' ' 11' ' ' LEU . 14.3 tp -59.84 -36.68 77.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.428 -0.795 . . . . 0.0 109.919 -177.532 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -44.87 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.288 -0.883 . . . . 0.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 32.1 p -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.594 -0.691 . . . . 0.0 110.051 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.462 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.97 -46.79 75.12 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.513 -0.742 . . . . 0.0 109.524 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.4 mmm -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.121 -0.987 . . . . 0.0 109.898 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.92 -39.88 95.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 0.0 110.445 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 23.0 p -70.53 -47.12 61.94 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 112.291 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.12 -39.96 88.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.566 -0.709 . . . . 0.0 111.125 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.42 -29.94 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 111.3 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.413 HD22 ' HG2' ' B' ' 3' ' ' GLU . 42.8 t30 -60.54 -40.01 89.97 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.199 -1.563 . . . . 0.0 108.57 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -80.5 -36.57 16.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.94 -52.67 64.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.948 -1.095 . . . . 0.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -71.76 -28.26 63.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.686 -0.634 . . . . 0.0 111.101 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -59.82 2.7 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.66 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 48.9 m-70 -66.46 -40.06 89.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.725 -1.235 . . . . 0.0 111.968 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.8 p -68.34 -17.53 64.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.107 -0.996 . . . . 0.0 112.37 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.44 16.17 24.45 Favored Glycine 0 N--CA 1.502 3.086 0 O-C-N 121.186 -0.946 . . . . 0.0 111.818 -177.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt . . . . . 0 N--CA 1.495 1.813 0 CA-C-N 119.94 1.87 . . . . 0.0 108.393 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.5 2.057 0 CA-C-O 122.226 1.012 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.6 150.92 26.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -97.49 160.1 14.52 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.598 1.189 . . . . 0.0 111.396 -177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.509 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 42.3 t -128.95 163.36 25.49 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -51.01 -40.0 57.13 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.171 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -75.46 -30.0 59.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.596 -1.315 . . . . 0.0 112.083 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB2' ' H ' ' A' ' 29' ' ' SER . 94.5 mt-10 -75.5 -34.4 60.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.585 -1.322 . . . . 0.0 108.569 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.95 -40.04 75.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.769 -0.582 . . . . 0.0 111.624 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.64 -39.97 94.63 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.786 -1.196 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 50.8 t0 -79.66 -31.09 41.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.944 -1.097 . . . . 0.0 110.394 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.0 -40.08 78.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.26 -0.9 . . . . 0.0 112.279 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.631 HD21 ' CE2' ' A' ' 74' ' ' PHE . 90.8 mt -82.8 -38.55 22.96 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.567 -1.333 . . . . 0.0 112.049 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.553 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.5 pp0? -69.51 -37.72 77.29 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.656 -1.278 . . . . 0.0 110.396 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.553 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 76.0 m -80.13 -66.49 0.87 Allowed 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.363 -178.017 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 30.9 mp0 -69.4 -40.13 77.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.728 -0.607 . . . . 0.0 111.433 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.8 69.95 0.7 Allowed 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 122.409 1.099 . . . . 0.0 110.287 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.4 p -81.98 -149.89 0.08 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.7 t 45.3 -10.81 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' A' ' 42' ' ' SER . 92.6 m-85 -145.1 -75.42 0.22 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.019 -1.676 . . . . 0.0 111.127 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 mm? -61.24 131.78 51.5 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.822 -1.174 . . . . 0.0 108.945 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 96.3 m-20 -114.29 146.88 39.9 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 2.4 m -153.72 -37.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.41 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 96.3 mt-30 -75.22 -50.34 16.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.409 -0.807 . . . . 0.0 111.631 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 10.3 ptpt -68.28 -39.96 81.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.051 -1.031 . . . . 0.0 111.143 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' ASP . 49.0 t0 -99.31 102.9 14.66 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.988 -1.07 . . . . 0.0 109.768 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.65 -36.04 67.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.383 -0.823 . . . . 0.0 109.541 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.9 -39.41 85.28 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.528 ' N ' ' NZ ' ' C' ' 7' ' ' LYS . . . -63.11 -37.68 88.16 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.597 -0.689 . . . . 0.0 111.257 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 62.0 t -69.73 -56.0 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.839 -1.163 . . . . 0.0 111.912 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -67.01 -40.16 87.24 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.565 -1.334 . . . . 0.0 110.958 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -70.51 -40.01 73.78 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.027 -1.046 . . . . 0.0 111.617 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 61' ' ' LEU . 97.8 mt -78.1 -55.01 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.115 -0.99 . . . . 0.0 110.031 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.28 -45.39 93.5 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.781 -0.575 . . . . 0.0 111.362 -178.109 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -68.58 -39.29 81.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.03 . . . . 0.0 109.968 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -85.36 -16.71 38.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.978 -1.076 . . . . 0.0 108.724 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' ILE . 68.1 tp -85.82 -16.41 38.82 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -91.29 47.16 1.36 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 174.382 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.3 tt0 -47.59 -22.9 0.55 Allowed 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.619 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.27 0.02 54.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.757 -1.215 . . . . 0.0 107.919 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 66.08 34.62 88.86 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 10.5 p-10 -100.64 -18.53 16.52 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.087 -1.243 . . . . 0.0 110.416 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.35 -0.22 85.08 Favored Glycine 0 N--CA 1.498 2.809 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.526 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 94.1 mt-10 -125.11 141.83 51.87 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.2 t -104.86 125.36 59.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 CA-C-O 122.028 0.918 . . . . 0.0 110.181 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 10.3 t70 -77.89 160.33 28.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.423 -0.798 . . . . 0.0 108.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 11.9 p90 -58.41 -28.32 65.11 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.083 -1.01 . . . . 0.0 110.629 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 76' ' ' VAL . 88.0 mt-30 -70.01 -40.08 75.45 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.349 -1.469 . . . . 0.0 109.553 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.54 -39.97 64.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.006 -1.059 . . . . 0.0 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CE2' HD21 ' A' ' 37' ' ' LEU . 6.7 t80 -67.68 -40.67 84.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.479 -0.763 . . . . 0.0 111.322 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.81 -31.97 27.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 O-C-N 121.354 -0.841 . . . . 0.0 110.502 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 72' ' ' GLN . 41.8 t -72.08 -59.32 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 111.716 -178.653 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.3 tt -69.99 -40.01 75.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.77 -1.207 . . . . 0.0 112.047 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.23 -39.89 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 120.675 -1.266 . . . . 0.0 110.164 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.4 -24.36 59.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.221 -0.925 . . . . 0.0 109.055 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.55 -27.15 65.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.794 -1.191 . . . . 0.0 109.989 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.81 -33.32 15.02 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.98 -1.075 . . . . 0.0 110.172 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.7 t -64.32 -49.62 71.02 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.544 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' A' ' 82' ' ' THR . 60.9 t -75.04 -41.76 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.898 -1.126 . . . . 0.0 110.749 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.59 75.77 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.534 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.83 -41.32 97.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.37 -0.831 . . . . 0.0 109.097 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -60.29 -41.4 93.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.487 -0.758 . . . . 0.0 110.562 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 . . . . . 0 N--CA 1.496 1.849 0 O-C-N 121.046 -1.033 . . . . 0.0 110.975 -178.534 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.8 mp0 -63.34 -53.02 59.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.488 -0.758 . . . . 0.0 110.074 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.94 -36.46 77.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.41 -0.806 . . . . 0.0 109.905 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.12 -45.1 87.89 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.115 0.96 . . . . 0.0 109.169 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 33.2 p -67.87 -31.33 71.06 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.504 -0.747 . . . . 0.0 109.939 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -56.59 -45.95 81.11 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.408 -0.917 . . . . 0.0 109.294 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -59.97 -40.06 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.665 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.9 -39.98 96.15 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.584 0.707 . . . . 0.0 110.281 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 22.4 p -70.31 -47.14 62.46 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.529 -0.732 . . . . 0.0 112.173 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.408 HD23 HD13 ' A' ' 4' ' ' LEU . 59.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.513 -0.742 . . . . 0.0 111.356 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -80.9 -31.3 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.198 -0.939 . . . . 0.0 110.993 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -39.86 87.35 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 120.468 -1.395 . . . . 0.0 108.031 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -80.4 -36.52 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.06 -52.5 65.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.939 -1.101 . . . . 0.0 111.218 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -71.97 -28.02 63.16 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.648 -0.657 . . . . 0.0 111.022 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.81 -59.89 2.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.638 -1.288 . . . . 0.0 110.596 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.54 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 49.3 m-70 -66.52 -39.96 88.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.801 -1.187 . . . . 0.0 111.932 -177.218 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -68.45 -17.33 64.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 112.332 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.61 15.43 24.41 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.769 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 N--CA 1.496 1.862 0 O-C-N 120.028 -1.866 . . . . 0.0 108.503 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.501 2.124 0 CA-C-O 122.167 0.984 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.94 150.85 26.31 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.42 160.13 14.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.724 1.25 . . . . 0.0 111.516 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.513 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.9 t -128.83 163.29 25.53 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -50.89 -39.96 55.5 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.353 -1.339 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -75.82 -29.74 58.75 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.569 -1.332 . . . . 0.0 112.069 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' B' ' 29' ' ' SER . 94.3 mt-10 -75.64 -34.26 60.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.457 -1.402 . . . . 0.0 108.54 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.93 -40.08 75.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.653 -0.654 . . . . 0.0 111.61 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.5 -39.99 94.82 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.795 -1.191 . . . . 0.0 111.546 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 50.5 t0 -79.63 -31.03 41.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.894 -1.128 . . . . 0.0 110.329 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.01 -40.01 78.95 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.266 -0.897 . . . . 0.0 112.378 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' B' ' 74' ' ' PHE . 90.8 mt -82.68 -39.53 21.91 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.564 -1.335 . . . . 0.0 111.833 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.553 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.5 pp0? -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.715 -1.241 . . . . 0.0 110.345 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.553 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 70.0 m -79.95 -66.69 0.84 Allowed 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.291 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 30.9 mp0 -69.48 -40.1 77.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 -177.591 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.79 69.92 0.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 CA-C-O 122.416 1.103 . . . . 0.0 110.245 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.63 ' O ' ' N ' ' B' ' 44' ' ' PHE . 84.0 p -81.98 -149.95 0.08 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t 45.19 -10.43 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.63 ' N ' ' O ' ' B' ' 42' ' ' SER . 91.3 m-85 -145.38 -75.27 0.22 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 119.971 -1.706 . . . . 0.0 111.232 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -61.44 131.8 51.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.848 -1.157 . . . . 0.0 108.881 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 96.8 m-20 -114.4 146.95 39.95 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 2.7 m -153.73 -37.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 97.2 mt-30 -75.2 -50.07 17.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.515 -0.741 . . . . 0.0 111.719 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.452 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 10.2 ptpt -68.51 -40.13 80.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.024 -1.048 . . . . 0.0 111.053 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -98.9 102.9 14.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.084 -1.01 . . . . 0.0 109.862 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.71 66.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.814 . . . . 0.0 109.506 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.476 ' C ' ' HZ2' ' D' ' 7' ' ' LYS . 89.6 m-20 -60.05 -38.98 84.4 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.617 ' N ' ' NZ ' ' D' ' 7' ' ' LYS . . . -63.95 -35.58 81.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.683 -0.635 . . . . 0.0 111.604 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 65.5 t -71.22 -55.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.781 -1.199 . . . . 0.0 111.942 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -66.99 -40.13 87.29 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.666 -1.271 . . . . 0.0 111.016 -177.5 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -70.52 -40.06 73.73 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.104 -0.997 . . . . 0.0 111.581 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -78.21 -54.85 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.986 . . . . 0.0 110.245 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.99 -45.67 91.96 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.738 -0.601 . . . . 0.0 111.428 -178.379 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.39 -39.61 81.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.135 -0.978 . . . . 0.0 109.939 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -85.29 -16.82 38.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.041 . . . . 0.0 108.735 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' B' ' 57' ' ' ILE . 67.7 tp -85.66 -16.32 39.52 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 0.3 OUTLIER -91.42 46.88 1.33 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 103.099 -2.926 . . . . 0.0 103.099 174.415 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.4 tt0 -47.27 -22.83 0.45 Allowed 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 111.633 -2.53 . . . . 0.0 109.572 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -86.32 0.02 54.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.848 -1.157 . . . . 0.0 108.061 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 66.88 32.72 81.86 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.737 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 10.8 p-10 -99.57 -19.0 17.09 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.987 -1.302 . . . . 0.0 110.409 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.58 0.0 86.46 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 94.4 mt-10 -125.34 141.86 51.83 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 95.1 t -104.42 125.42 59.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-O 121.946 0.879 . . . . 0.0 110.252 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 10.4 t70 -77.59 160.29 28.66 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.419 -0.801 . . . . 0.0 109.039 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 12.7 p90 -58.39 -28.4 65.15 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.137 -0.977 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.472 ' O ' HG23 ' B' ' 76' ' ' VAL . 88.5 mt-30 -70.11 -39.95 75.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.312 -1.492 . . . . 0.0 109.573 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.54 -40.06 64.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.113 . . . . 0.0 110.329 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.634 ' CE2' HD21 ' B' ' 37' ' ' LEU . 5.8 t80 -67.78 -40.24 84.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 71' ' ' PHE . 9.4 p -75.09 -31.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.458 -0.776 . . . . 0.0 110.454 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 72' ' ' GLN . 45.7 t -72.24 -58.99 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.214 -0.929 . . . . 0.0 111.66 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.79 -1.194 . . . . 0.0 111.87 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.51 -39.88 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.773 -1.204 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.77 59.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.074 -1.016 . . . . 0.0 109.129 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.02 -22.09 63.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.816 -1.178 . . . . 0.0 110.623 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -95.78 -33.67 12.18 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.792 -1.192 . . . . 0.0 109.739 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.8 t -64.14 -49.46 72.06 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.555 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' B' ' 82' ' ' THR . 59.3 t -75.27 -41.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.959 -1.088 . . . . 0.0 110.712 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.42 75.58 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.487 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.68 -41.4 98.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.237 -0.914 . . . . 0.0 109.056 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -60.43 -41.2 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.452 -0.78 . . . . 0.0 110.653 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 110.917 -178.665 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.126 0.489 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.97 -43.61 94.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 109.597 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 57' ' ' ILE . 21.1 tp -60.12 -51.61 68.89 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.805 . . . . 0.0 110.872 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.881 -1.137 . . . . 0.0 110.336 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 120.941 -1.099 . . . . 0.0 109.673 -179.735 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.123 0.487 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.94 -43.5 94.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.102 -0.999 . . . . 0.0 109.612 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.662 HD13 HD11 ' B' ' 57' ' ' ILE . 21.7 tp -60.2 -51.61 68.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.358 -0.838 . . . . 0.0 110.83 -179.036 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 59.4 mt -70.04 -39.97 75.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.932 -1.105 . . . . 0.0 110.319 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.493 1.7 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 -179.663 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.499 1.976 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' A' ' 6' ' ' THR . 58.0 mp0 -64.43 -52.4 58.31 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.819 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.65 ' HB2' HG21 ' B' ' 14' ' ' VAL . 17.1 tp -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.444 0.64 . . . . 0.0 110.25 -178.028 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.7 -48.69 77.13 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.103 0.954 . . . . 0.0 109.683 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 16.4 p -65.39 -28.96 69.63 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.306 0.574 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.432 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.8 -48.05 78.84 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.388 -0.82 . . . . 0.0 109.549 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -60.05 -39.98 87.84 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.985 -1.072 . . . . 0.0 109.273 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.72 -39.99 90.68 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.452 -0.78 . . . . 0.0 110.341 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.592 ' O ' HG22 ' A' ' 14' ' ' VAL . 12.6 p -70.39 -46.35 64.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.22 0.533 . . . . 0.0 111.982 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 81.0 mt -57.41 -39.58 76.46 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.306 -0.871 . . . . 0.0 110.172 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.88 -30.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 111.506 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.35 -40.06 95.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.022 -1.674 . . . . 0.0 109.855 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.629 HG21 ' HB2' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -81.67 -37.18 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.832 -0.542 . . . . 0.0 111.259 -179.34 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.6 m-30 -58.59 -51.83 68.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.59 -23.88 56.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.534 -0.729 . . . . 0.0 111.534 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -61.01 1.99 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.792 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.37 -39.32 89.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.459 -1.4 . . . . 0.0 110.069 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -67.59 -15.7 63.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.321 -0.862 . . . . 0.0 111.279 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.4 16.97 56.39 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt . . . . . 0 C--N 1.305 -1.345 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.453 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.51 2.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -149.2 151.95 35.18 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 119.832 -1.792 . . . . 0.0 110.219 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.4 mm? -95.76 168.49 10.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.041 0.925 . . . . 0.0 110.562 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.5 p -127.65 159.74 33.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -48.46 -39.98 24.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.844 -1.16 . . . . 0.0 110.302 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -71.16 -30.06 65.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.075 -1.016 . . . . 0.0 112.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.45 -35.19 54.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.414 -1.429 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -71.14 -43.77 66.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.553 -0.717 . . . . 0.0 111.29 -179.348 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.69 -44.36 96.61 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.688 -1.257 . . . . 0.0 110.826 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.66 -32.63 69.97 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 112.541 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 74' ' ' PHE . 87.3 mt -83.86 -38.4 21.23 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.564 -1.335 . . . . 0.0 112.472 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.572 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.4 pp0? -70.01 -48.74 56.85 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.766 -1.209 . . . . 0.0 110.599 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.572 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -69.96 -39.99 75.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.495 -0.753 . . . . 0.0 112.737 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -106.61 -30.61 8.91 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.289 -0.882 . . . . 0.0 112.381 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.92 68.31 0.7 Allowed 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 122.342 1.068 . . . . 0.0 109.958 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.648 ' O ' ' N ' ' A' ' 44' ' ' PHE . 13.5 m -81.17 -148.39 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.2 m 48.72 -22.18 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.648 ' N ' ' O ' ' A' ' 42' ' ' SER . 96.5 m-85 -141.79 -60.01 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.245 -1.534 . . . . 0.0 111.435 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.6 mm? -77.45 132.09 38.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.581 -1.324 . . . . 0.0 109.418 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.87 159.12 33.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.483 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 27.3 m -159.57 -34.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.461 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.1 pt20 -75.6 -41.75 53.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.611 -0.68 . . . . 0.0 112.228 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -69.85 -35.64 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.679 -1.263 . . . . 0.0 110.037 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -109.77 104.81 13.83 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.762 . . . . 0.0 110.099 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.36 74.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.344 -0.848 . . . . 0.0 109.0 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.157 -0.964 . . . . 0.0 108.639 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.49 82.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.292 -0.88 . . . . 0.0 110.379 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 30.1 t -70.12 -57.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 112.083 -177.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.407 -1.433 . . . . 0.0 111.561 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -70.1 -39.9 75.26 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 111.322 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.648 HD11 HD13 ' C' ' 8' ' ' LEU . 96.8 mt -77.49 -52.32 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 120.849 -1.157 . . . . 0.0 110.464 -177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.464 ' CE ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -59.98 -48.31 82.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.511 -0.743 . . . . 0.0 110.882 -178.143 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.57 -39.12 84.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 110.238 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.25 -16.98 31.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.956 -1.09 . . . . 0.0 109.855 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' A' ' 63' ' ' GLU . 63.3 tp -80.68 -14.58 58.01 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 64' ' ' ASN . 12.1 m-20 -94.81 37.42 1.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.419 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.4 tt0 -35.71 -21.54 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 112.071 -2.331 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' ASP . 22.9 t-20 -86.03 -6.7 58.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.657 -1.277 . . . . 0.0 108.707 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 85.53 29.14 27.88 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.63 ' C ' ' H ' ' A' ' 68' ' ' GLU . 23.4 p-10 -109.83 114.37 27.89 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.53 15.19 0.05 OUTLIER Glycine 0 N--CA 1.491 2.351 0 C-N-CA 118.206 -1.95 . . . . 0.0 110.863 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.63 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.9 mt-10 -120.5 141.86 49.82 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.1 t -104.58 131.28 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.177 -0.952 . . . . 0.0 111.244 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 9.3 t70 -79.94 156.75 27.1 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.758 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.498 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 43.7 p90 -60.16 -38.92 84.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.237 -0.914 . . . . 0.0 110.161 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 54.6 tt0 -60.03 -40.77 90.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.097 -1.002 . . . . 0.0 110.84 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 61' ' ' LEU . 37.8 mt-10 -69.03 -40.03 78.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.775 -1.203 . . . . 0.0 110.352 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.543 ' CE2' HD21 ' A' ' 37' ' ' LEU . 20.7 t80 -62.46 -42.12 99.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 112.164 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.77 -35.2 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.915 -1.116 . . . . 0.0 111.007 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.01 -60.17 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.133 -0.98 . . . . 0.0 111.983 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.64 -40.53 73.03 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.88 -1.137 . . . . 0.0 112.511 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.14 -40.81 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.579 -1.326 . . . . 0.0 110.16 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 108.885 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.32 -26.6 68.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.86 -25.95 17.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.377 -0.827 . . . . 0.0 109.419 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -64.45 -55.04 23.47 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.409 -0.807 . . . . 0.0 110.253 -179.377 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 82' ' ' THR . 4.5 m -80.16 -34.09 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.559 -1.338 . . . . 0.0 110.726 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.1 93.89 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.939 -1.1 . . . . 0.0 110.155 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.42 -40.01 89.28 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.292 -0.88 . . . . 0.0 109.482 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.92 -39.67 86.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.0 110.007 -178.254 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -64.27 -52.61 57.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.347 -0.845 . . . . 0.0 109.71 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.629 ' HB2' HG21 ' A' ' 14' ' ' VAL . 17.9 tp -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.326 0.584 . . . . 0.0 110.282 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.53 -48.89 76.29 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.156 0.979 . . . . 0.0 109.7 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.4 p -65.19 -27.92 69.03 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.46 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.24 -46.94 85.03 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.485 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -59.93 -40.06 87.62 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.126 -0.984 . . . . 0.0 109.093 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.87 -39.94 91.1 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.706 0.765 . . . . 0.0 110.144 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.609 ' O ' HG22 ' B' ' 14' ' ' VAL . 11.8 p -70.59 -46.56 63.21 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.756 -0.59 . . . . 0.0 111.884 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.5 mt -57.04 -39.98 75.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 58.3 mt -78.58 -33.2 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 111.315 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.06 -40.14 88.43 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.164 -1.585 . . . . 0.0 109.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.65 HG21 ' HB2' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -82.0 -37.43 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.777 -0.577 . . . . 0.0 111.194 -179.057 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.5 m-30 -58.18 -52.08 67.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.085 . . . . 0.0 110.573 -178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.54 -23.88 56.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.485 -0.76 . . . . 0.0 111.485 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.91 -60.9 2.04 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.378 -1.451 . . . . 0.0 110.921 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -66.38 -39.3 89.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.335 -1.478 . . . . 0.0 110.087 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 79.0 p -67.41 -15.65 63.79 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.344 -0.848 . . . . 0.0 111.241 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.45 16.4 57.8 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt . . . . . 0 C--N 1.305 -1.327 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 178.507 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.509 2.505 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -149.36 152.07 35.17 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 119.791 -1.818 . . . . 0.0 110.157 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -95.97 168.16 10.8 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.097 0.951 . . . . 0.0 110.58 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -127.33 159.42 34.46 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -48.02 -39.95 21.33 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.777 -1.202 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -71.74 -29.5 64.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.041 -1.037 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -77.44 -35.28 54.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.358 -1.464 . . . . 0.0 109.961 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.783 HD12 ' O ' ' B' ' 33' ' ' LEU . 0.8 OUTLIER -71.04 -43.8 67.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.731 . . . . 0.0 111.399 -179.302 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -60.45 -44.66 95.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.65 -1.281 . . . . 0.0 110.858 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.42 -32.58 70.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.58 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -40.09 95.22 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.508 -0.745 . . . . 0.0 112.619 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.536 HD21 ' CE2' ' B' ' 74' ' ' PHE . 88.8 mt -84.12 -38.14 21.09 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.529 -1.357 . . . . 0.0 112.428 -177.789 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.57 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.4 pp0? -70.08 -48.57 57.18 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.68 -1.263 . . . . 0.0 110.746 -178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.57 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.5 m -70.01 -39.96 75.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 112.627 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -106.76 -30.69 8.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.173 -0.954 . . . . 0.0 112.277 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.09 68.26 0.7 Allowed 'General case' 0 N--CA 1.506 2.361 0 CA-C-O 122.279 1.038 . . . . 0.0 109.872 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.651 ' O ' ' N ' ' B' ' 44' ' ' PHE . 12.1 m -81.07 -148.16 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.071 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m 48.75 -22.15 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.651 ' N ' ' O ' ' B' ' 42' ' ' SER . 96.5 m-85 -142.04 -60.02 0.46 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.109 -1.619 . . . . 0.0 111.375 -178.055 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.8 mm? -77.48 132.13 38.27 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.594 -1.316 . . . . 0.0 109.463 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.91 158.97 33.81 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 28.6 m -159.47 -34.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.457 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.1 pt20 -75.62 -41.95 52.98 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 0.0 112.306 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -69.67 -35.93 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 110.002 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -109.62 104.71 13.78 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.451 -0.781 . . . . 0.0 110.081 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.09 74.06 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.453 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -61.07 -35.1 76.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.379 -0.826 . . . . 0.0 110.869 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 39.2 t -72.6 -56.92 8.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.134 -0.979 . . . . 0.0 111.959 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.73 -42.99 99.68 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.463 -1.398 . . . . 0.0 111.595 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.97 -40.0 75.65 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 111.316 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.662 HD11 HD13 ' D' ' 8' ' ' LEU . 96.8 mt -77.44 -52.51 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.873 -1.142 . . . . 0.0 110.462 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.483 ' HG2' HD23 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -59.99 -47.94 83.75 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.55 -0.719 . . . . 0.0 111.002 -178.11 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -67.83 -38.78 83.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.344 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.53 -17.01 31.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.026 -1.046 . . . . 0.0 109.887 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' B' ' 57' ' ' ILE . 66.2 tp -80.77 -14.37 58.14 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' B' ' 64' ' ' ASN . 12.0 m-20 -94.88 37.25 1.15 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.4 tt0 -35.67 -21.82 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 112.007 -2.36 . . . . 0.0 111.337 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 23.0 t-20 -85.76 -6.62 59.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.604 -1.31 . . . . 0.0 108.802 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.32 29.4 27.76 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.638 ' C ' ' H ' ' B' ' 68' ' ' GLU . 23.4 p-10 -109.87 114.45 28.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.47 15.15 0.05 OUTLIER Glycine 0 C--N 1.285 -2.256 0 C-N-CA 118.153 -1.975 . . . . 0.0 110.718 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.638 ' H ' ' C ' ' B' ' 66' ' ' ASP . 44.2 mt-10 -120.79 141.48 50.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.57 131.17 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.11 -0.993 . . . . 0.0 111.399 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 9.4 t70 -79.75 156.85 27.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.77 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 43.6 p90 -60.16 -39.01 84.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.23 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 54.6 tt0 -60.02 -40.64 90.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.064 -1.023 . . . . 0.0 110.846 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' B' ' 61' ' ' LEU . 37.8 mt-10 -69.23 -39.94 78.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.002 -1.061 . . . . 0.0 110.291 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.536 ' CE2' HD21 ' B' ' 37' ' ' LEU . 21.0 t80 -62.57 -41.89 99.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.575 -0.703 . . . . 0.0 112.199 -178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.93 -35.36 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 111.024 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.12 -60.21 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 111.826 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 tp -70.44 -40.22 73.89 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.857 -1.152 . . . . 0.0 112.564 -176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.96 -40.15 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.527 -1.358 . . . . 0.0 110.135 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.43 61.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.173 -0.954 . . . . 0.0 108.981 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.11 65.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.868 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.406 ' HB2' HD11 ' B' ' 45' ' ' LEU . 17.8 mt -95.95 -26.41 15.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.245 -0.909 . . . . 0.0 108.903 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.5 OUTLIER -64.39 -55.01 23.91 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.275 -179.177 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.466 ' N ' ' CG2' ' B' ' 82' ' ' THR . 5.4 m -80.08 -34.62 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.691 -1.255 . . . . 0.0 110.709 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.91 92.51 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 110.352 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.55 -40.08 88.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.92 -39.66 86.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.514 -0.741 . . . . 0.0 110.173 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.184 -0.948 . . . . 0.0 110.033 -178.31 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 62.3 m80 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.096 0.474 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.29 -50.13 74.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.111 -0.993 . . . . 0.0 110.641 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.402 HD23 ' CD1' ' A' ' 81' ' ' LEU . 58.7 tp -70.04 -39.98 75.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.85 -40.02 95.6 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.883 . . . . 0.0 108.879 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.632 179.808 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 m80 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.045 0.45 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.25 -50.17 74.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.97 . . . . 0.0 110.814 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 58.7 tp -70.0 -40.04 75.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.91 -1.118 . . . . 0.0 110.138 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 108.905 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.662 179.802 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' A' ' 6' ' ' THR . 96.2 mt-10 -60.41 -55.16 36.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 0.0 110.02 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.639 ' CG ' HG21 ' B' ' 14' ' ' VAL . 82.5 mt -59.7 -35.79 75.2 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.849 -1.157 . . . . 0.0 110.003 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.32 -43.86 75.29 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -71.32 -32.01 68.08 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 110.128 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -57.9 -51.09 71.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.396 -0.815 . . . . 0.0 110.285 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 tpt -60.76 -40.25 91.77 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.014 -1.054 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.35 -40.07 95.14 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.337 -0.852 . . . . 0.0 110.642 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.556 ' O ' HG22 ' A' ' 14' ' ' VAL . 15.7 p -64.06 -43.56 95.12 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.776 -0.578 . . . . 0.0 109.755 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' B' ' 4' ' ' LEU . 95.0 mt -60.06 -40.04 88.08 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.549 -0.719 . . . . 0.0 112.667 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -81.57 -25.9 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 O-C-N 120.067 -1.646 . . . . 0.0 111.185 -178.509 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.99 -40.03 95.46 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.298 -1.501 . . . . 0.0 109.84 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.658 HG21 ' CG ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -85.13 -36.08 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.638 -0.664 . . . . 0.0 110.706 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.65 -49.95 75.76 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 110.315 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -76.19 -23.16 54.67 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.567 -0.708 . . . . 0.0 111.226 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.85 -62.72 1.5 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.571 -1.331 . . . . 0.0 111.564 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -64.12 -39.98 95.21 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.67 -1.269 . . . . 0.0 110.959 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 t -66.47 -14.63 62.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.299 -0.876 . . . . 0.0 111.343 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.23 13.42 55.27 Favored Glycine 0 N--CA 1.497 2.745 0 O-C-N 121.28 -0.888 . . . . 0.0 111.308 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp . . . . . 0 N--CA 1.492 1.669 0 O-C-N 120.369 -1.665 . . . . 0.0 108.086 178.919 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 N--CA 1.5 2.072 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 1.9 tpmt? -140.58 141.85 35.17 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.05 154.89 17.05 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 122.325 1.06 . . . . 0.0 110.662 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.431 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 73.4 m -126.11 160.01 31.3 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 178.196 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -45.06 -42.84 8.97 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.896 -1.128 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.98 -28.76 65.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 111.921 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HB2' ' H ' ' A' ' 29' ' ' SER . 25.3 mt-10 -76.0 -39.97 54.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.607 -1.308 . . . . 0.0 108.606 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.362 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 17.0 ptmt -69.98 -32.67 71.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.773 -1.204 . . . . 0.0 112.928 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.81 -35.51 62.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.44 -1.412 . . . . 0.0 109.142 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 36' ' ' LEU . 5.6 tt -67.51 -37.97 83.58 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.635 -0.666 . . . . 0.0 111.41 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -82.09 -39.86 22.76 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.678 -1.264 . . . . 0.0 112.726 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 34' ' ' LYS . 4.4 pt20 -69.44 -39.98 77.48 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.759 -1.213 . . . . 0.0 110.282 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.4 m -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.356 0.598 . . . . 0.0 110.941 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.612 ' HB3' HD12 ' B' ' 4' ' ' LEU . 57.9 mm-40 -89.04 -50.02 6.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.36 -0.838 . . . . 0.0 111.28 -177.521 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.41 71.55 1.55 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.862 -1.149 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.0 m -81.61 139.32 35.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 83.6 -7.39 1.11 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.753 -0.592 . . . . 0.0 111.313 178.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -105.42 -77.9 0.58 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 mm? -96.04 120.52 36.46 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.67 91.36 3.56 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 122.37 1.081 . . . . 0.0 110.507 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.531 ' HB ' HG22 ' A' ' 54' ' ' VAL . 3.5 m -81.7 -22.46 10.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.988 -178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.432 ' OE1' ' OE1' ' A' ' 38' ' ' GLN . 26.9 mt-30 -69.36 -60.1 2.56 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.993 -1.067 . . . . 0.0 113.026 -176.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.22 -30.01 64.5 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.937 -1.102 . . . . 0.0 111.814 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -94.91 94.19 7.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.71 -1.244 . . . . 0.0 109.728 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.425 -0.797 . . . . 0.0 110.146 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 32.6 p-10 -59.96 -37.44 79.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 0.0 109.017 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.85 -37.74 87.0 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.777 -0.577 . . . . 0.0 111.363 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' A' ' 47' ' ' VAL . 61.8 t -70.04 -56.49 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.957 -1.089 . . . . 0.0 111.829 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 58.7 t0 -64.29 -39.96 94.99 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.591 -1.318 . . . . 0.0 110.876 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -69.91 -40.03 75.83 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.313 -0.867 . . . . 0.0 111.516 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -80.11 -52.48 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.141 -0.974 . . . . 0.0 110.889 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 tpt -60.02 -44.87 94.31 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.492 -0.755 . . . . 0.0 110.825 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -69.95 -37.11 75.74 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.973 -1.079 . . . . 0.0 110.097 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -88.59 -17.52 29.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.026 -1.046 . . . . 0.0 109.823 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 57' ' ' ILE . 60.6 tp -83.2 -17.73 41.79 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.581 ' OD2' ' N ' ' A' ' 68' ' ' GLU . 10.5 t0 -92.43 45.55 1.21 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 103.123 -2.917 . . . . 0.0 103.123 173.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.0 tt0 -39.56 -19.48 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 111.455 -2.611 . . . . 0.0 110.649 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 62' ' ' ASP . 81.8 m-20 -87.72 -0.06 56.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.627 -1.296 . . . . 0.0 108.323 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.07 34.9 91.15 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.838 178.137 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 4.3 p-10 -102.22 -14.02 17.17 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.9 -1.353 . . . . 0.0 110.54 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -7.45 69.26 Favored Glycine 0 N--CA 1.501 3.01 0 O-C-N 120.665 -1.272 . . . . 0.0 110.874 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 99.6 mt-10 -118.43 142.19 47.8 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.8 t -102.64 134.0 44.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 110.711 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 92.0 m-20 -82.49 159.83 22.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 54.1 p90 -59.23 -39.57 83.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.0 109.682 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -63.17 -39.94 96.1 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.002 -1.061 . . . . 0.0 110.295 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.94 -40.1 75.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.622 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 78' ' ' VAL . 41.5 t80 -69.24 -40.06 78.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.368 -0.832 . . . . 0.0 112.303 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.95 -30.15 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.543 -0.723 . . . . 0.0 111.447 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -73.3 -58.09 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.015 -1.053 . . . . 0.0 111.768 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.03 88.45 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.803 -1.185 . . . . 0.0 112.497 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 74' ' ' PHE . 19.0 m -68.09 -37.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.514 -1.367 . . . . 0.0 111.317 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.532 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -73.22 -23.94 60.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.136 -0.978 . . . . 0.0 110.618 -178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.25 -51.17 26.04 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.348 -1.47 . . . . 0.0 109.732 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -64.19 -41.29 97.15 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.322 -0.862 . . . . 0.0 111.368 -178.627 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 83' ' ' VAL . 4.0 t -61.14 -49.36 77.58 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.991 -1.068 . . . . 0.0 110.373 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.526 HG11 ' CD1' ' B' ' 71' ' ' PHE . 96.0 t -64.29 -37.9 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.018 -1.051 . . . . 0.0 109.907 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.14 66.51 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.716 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.7 m -69.97 -40.07 75.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.785 -1.197 . . . . 0.0 110.087 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' ASN . . . . . 0.591 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -68.96 -36.45 77.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.083 -1.011 . . . . 0.0 110.078 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.591 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 27.5 t-20 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.018 -1.051 . . . . 0.0 110.472 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.8 mt-10 -60.49 -54.96 39.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.341 -0.85 . . . . 0.0 110.052 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.658 ' CG ' HG21 ' A' ' 14' ' ' VAL . 82.4 mt -59.96 -36.11 76.41 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.869 -1.144 . . . . 0.0 109.925 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.76 -44.22 73.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.2 p -71.22 -30.59 66.54 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.427 -0.796 . . . . 0.0 110.053 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.77 -50.07 75.24 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.843 . . . . 0.0 110.068 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.68 -40.45 92.19 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.299 -0.875 . . . . 0.0 110.208 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.3 -39.98 95.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.456 -0.777 . . . . 0.0 110.622 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.553 ' O ' HG22 ' B' ' 14' ' ' VAL . 16.2 p -64.13 -43.53 94.97 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' A' ' 4' ' ' LEU . 95.4 mt -60.03 -40.03 87.93 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.563 -0.711 . . . . 0.0 112.709 -178.535 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.466 ' N ' HD13 ' B' ' 12' ' ' ILE . 0.1 OUTLIER -81.04 -28.07 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 O-C-N 120.104 -1.623 . . . . 0.0 110.988 -178.432 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.17 -40.0 94.55 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.527 -1.358 . . . . 0.0 109.819 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.639 HG21 ' CG ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.3 -36.29 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.583 -0.698 . . . . 0.0 110.689 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.51 -49.99 75.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.32 -0.862 . . . . 0.0 110.308 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -76.19 -23.41 54.66 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.61 -0.681 . . . . 0.0 111.108 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.59 -62.7 1.49 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.635 -1.291 . . . . 0.0 111.627 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -64.14 -40.0 95.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.642 -1.286 . . . . 0.0 111.039 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -66.41 -14.74 62.59 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.328 -0.858 . . . . 0.0 111.446 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.16 13.53 55.48 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.273 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp . . . . . 0 N--CA 1.493 1.696 0 O-C-N 120.441 -1.623 . . . . 0.0 108.04 178.886 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 N--CA 1.501 2.088 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.475 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 1.9 tpmt? -140.5 142.07 35.29 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.27 154.65 17.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.305 1.05 . . . . 0.0 110.589 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.431 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 74.6 m -125.51 160.67 28.94 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -45.74 -43.01 12.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 111.905 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.431 ' HB2' ' H ' ' B' ' 29' ' ' SER . 25.3 mt-10 -76.09 -39.78 54.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.524 -1.36 . . . . 0.0 108.554 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.94 -50.04 75.3 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.403 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.482 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -70.03 -32.74 71.03 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.865 -1.147 . . . . 0.0 112.901 -176.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.55 -35.77 63.1 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.515 -1.366 . . . . 0.0 109.161 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.754 HD23 ' O ' ' B' ' 36' ' ' LEU . 5.5 tt -67.44 -37.8 83.56 Favored 'General case' 0 C--N 1.29 -2.022 0 O-C-N 121.685 -0.635 . . . . 0.0 111.493 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.33 -39.99 22.05 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.61 -1.306 . . . . 0.0 112.623 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' B' ' 34' ' ' LYS . 4.5 pt20 -69.2 -39.95 78.32 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.686 -1.259 . . . . 0.0 110.306 -178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.1 m -76.12 -45.65 32.7 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.434 0.635 . . . . 0.0 110.889 -177.604 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.619 ' HB3' HD12 ' A' ' 4' ' ' LEU . 58.6 mm-40 -88.98 -50.05 6.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.398 -0.814 . . . . 0.0 111.304 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -100.34 71.59 1.57 Allowed 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.882 -1.136 . . . . 0.0 109.501 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' B' ' 43' ' ' SER . 32.5 m -81.55 139.34 35.15 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 83.51 -7.45 1.13 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.741 -0.599 . . . . 0.0 111.35 178.945 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.3 -77.85 0.58 Allowed 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -96.25 120.78 37.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.8 91.22 3.52 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.408 1.099 . . . . 0.0 110.467 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.515 ' HB ' HG22 ' B' ' 54' ' ' VAL . 3.4 m -81.49 -22.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.071 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' B' ' 38' ' ' GLN . 27.0 mt-30 -69.26 -60.09 2.57 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 113.041 -176.636 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.16 -29.95 64.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.97 -1.081 . . . . 0.0 111.886 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.4 ' O ' HG23 ' B' ' 54' ' ' VAL . 96.0 m-20 -94.94 94.18 7.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.647 -1.283 . . . . 0.0 109.641 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.473 -0.767 . . . . 0.0 110.157 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 32.5 p-10 -60.03 -37.36 79.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.002 . . . . 0.0 108.983 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.86 -34.82 78.64 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.734 -0.603 . . . . 0.0 111.818 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.515 HG22 ' HB ' ' B' ' 47' ' ' VAL . 58.7 t -72.34 -56.41 10.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.907 -1.121 . . . . 0.0 111.7 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 59.2 t0 -64.1 -40.03 95.33 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 120.564 -1.335 . . . . 0.0 110.777 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -70.08 -39.9 75.33 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 111.616 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.8 mt -80.02 -52.56 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.018 . . . . 0.0 110.708 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -60.04 -44.64 94.52 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.539 -0.726 . . . . 0.0 110.855 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -70.11 -36.93 75.19 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.944 -1.098 . . . . 0.0 110.037 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.69 -17.64 29.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.976 -1.078 . . . . 0.0 109.801 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' B' ' 57' ' ' ILE . 61.0 tp -83.16 -17.69 42.02 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 10.3 t0 -92.49 45.37 1.19 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 173.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.1 tt0 -39.43 -19.44 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 111.495 -2.593 . . . . 0.0 110.665 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 62' ' ' ASP . 81.7 m-20 -87.69 -0.02 56.32 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.598 -1.314 . . . . 0.0 108.347 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.66 33.35 87.0 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.014 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.4 p-10 -101.26 -13.79 17.93 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.828 -1.395 . . . . 0.0 110.542 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.519 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.17 -7.2 68.16 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.676 -1.265 . . . . 0.0 110.835 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.586 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 99.9 mt-10 -118.5 142.15 47.87 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -101.84 134.32 42.7 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.149 0 O-C-N 120.916 -1.115 . . . . 0.0 110.833 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.475 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 92.3 m-20 -82.73 159.78 22.48 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.0 p90 -59.23 -39.85 84.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 0.0 109.646 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -62.84 -39.94 95.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.04 -1.037 . . . . 0.0 110.303 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.761 -1.212 . . . . 0.0 110.658 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 78' ' ' VAL . 41.0 t80 -69.36 -39.97 77.76 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.297 -0.877 . . . . 0.0 112.364 -178.269 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.0 -30.05 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 111.515 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -73.38 -57.96 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 111.826 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.71 -40.02 88.27 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.834 -1.166 . . . . 0.0 112.435 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 74' ' ' PHE . 18.4 m -68.33 -37.76 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.491 -1.381 . . . . 0.0 111.269 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.529 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.36 -23.68 60.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.185 -0.947 . . . . 0.0 110.696 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -55.66 8.71 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.215 -1.553 . . . . 0.0 108.761 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -59.96 -42.45 94.12 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.67 -0.644 . . . . 0.0 111.562 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.491 HG23 ' N ' ' B' ' 83' ' ' VAL . 4.0 t -60.76 -49.63 76.73 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.845 -1.159 . . . . 0.0 110.516 -178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.491 ' N ' HG23 ' B' ' 82' ' ' THR . 93.9 t -64.06 -37.62 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.012 -1.055 . . . . 0.0 109.854 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.14 -28.1 66.15 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.755 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.04 -39.97 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.771 -1.206 . . . . 0.0 110.078 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 86' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' B' ' 87' ' ' ASN . 0.6 OUTLIER -68.9 -36.45 78.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.107 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.586 ' N ' ' ND2' ' B' ' 86' ' ' ASN . 27.2 t-20 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.53 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 58.6 t60 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -59.93 -48.83 80.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.494 -0.754 . . . . 0.0 109.173 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.43 -49.87 75.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.121 -0.987 . . . . 0.0 110.832 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -66.76 -40.22 88.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.819 -1.176 . . . . 0.0 109.091 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.486 1.348 0 O-C-N 121.151 -0.968 . . . . 0.0 108.831 179.508 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 t60 . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -59.94 -48.93 79.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.575 -0.703 . . . . 0.0 109.276 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 tp -60.19 -49.99 75.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 0.0 110.767 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.9 -40.06 87.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.867 -1.146 . . . . 0.0 109.075 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.303 -1.414 0 O-C-N 121.17 -0.956 . . . . 0.0 108.725 179.541 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 N--CA 1.498 1.925 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 6' ' ' THR . 43.9 mt-10 -66.72 -53.52 32.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 110.702 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.503 HD13 HD23 ' B' ' 11' ' ' LEU . 15.2 tp -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.342 -0.849 . . . . 0.0 110.341 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -54.24 -48.63 70.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.046 -1.034 . . . . 0.0 109.18 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 21.7 p -64.6 -30.62 71.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.765 -0.585 . . . . 0.0 110.684 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -59.09 -49.9 76.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.355 -0.84 . . . . 0.0 110.87 -177.409 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.707 ' SD ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.99 -40.08 87.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.34 -1.475 . . . . 0.0 109.085 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.43 -39.93 92.61 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.667 0.746 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 7.8 p -67.76 -45.52 74.68 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.672 -0.643 . . . . 0.0 111.248 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 HD13 ' B' ' 4' ' ' LEU . 65.7 mt -59.99 -44.11 94.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 110.754 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.707 HD11 ' SD ' ' A' ' 8' ' ' MET . 51.2 mt -72.9 -30.95 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 111.64 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.99 -39.82 91.12 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.253 -1.529 . . . . 0.0 108.854 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -35.45 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -59.96 -48.1 83.1 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.589 -1.319 . . . . 0.0 110.548 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -78.82 -22.88 45.53 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.646 -0.659 . . . . 0.0 112.043 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.38 -57.98 3.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.462 -1.399 . . . . 0.0 111.787 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.5 p-80 -77.33 -28.57 53.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.161 -1.587 . . . . 0.0 111.401 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.555 ' OG ' HD11 ' A' ' 28' ' ' LEU . 68.2 m -67.12 -3.84 8.57 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.699 -1.251 . . . . 0.0 110.191 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.15 16.52 42.22 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 N--CA 1.487 1.412 0 O-C-N 121.293 -1.122 . . . . 0.0 109.427 178.863 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 p90 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -137.24 143.73 42.41 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.138 -1.601 . . . . 0.0 108.976 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' OG ' ' A' ' 19' ' ' SER . 2.9 mm? -97.79 156.86 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.115 0.959 . . . . 0.0 111.214 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -131.04 162.47 29.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HA ' HD21 ' A' ' 33' ' ' LEU . 75.5 tttt -46.38 -39.98 11.25 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.06 -1.025 . . . . 0.0 111.775 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.34 -25.07 59.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.52 -1.363 . . . . 0.0 112.046 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -80.61 -34.1 35.35 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.356 -1.465 . . . . 0.0 111.499 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 30' ' ' LYS . 3.0 pp -75.02 -35.26 61.97 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.796 -1.19 . . . . 0.0 109.743 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.29 -40.92 92.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.047 -1.033 . . . . 0.0 111.267 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.65 -26.45 41.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.705 -1.247 . . . . 0.0 110.948 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.68 -38.92 92.95 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.993 -1.067 . . . . 0.0 111.231 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.33 -33.94 23.79 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -0.987 . . . . 0.0 112.901 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.518 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 2.6 pp0? -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.533 -1.354 . . . . 0.0 109.815 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.518 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 8.4 m -80.28 -50.01 10.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 111.678 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -88.23 -56.62 3.25 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.267 -0.896 . . . . 0.0 111.977 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.64 73.55 1.62 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.147 -0.971 . . . . 0.0 109.763 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -82.64 -19.99 37.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.633 -0.667 . . . . 0.0 111.928 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.5 m -107.24 3.35 25.44 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.889 -1.132 . . . . 0.0 111.437 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.27 -85.74 0.61 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.076 -1.015 . . . . 0.0 109.103 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 81' ' ' LEU . 3.5 mm? -63.9 135.05 56.23 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 20.9 p-10 -118.41 148.96 42.01 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 4.2 m -151.2 -36.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.662 -1.606 . . . . 0.0 106.662 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -83.71 -31.4 26.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.791 -0.568 . . . . 0.0 110.365 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -60.05 -41.79 93.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.204 -0.935 . . . . 0.0 110.861 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.13 111.9 13.41 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 110.23 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.07 -39.93 87.77 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.27 87.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.433 -0.792 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 54.6 t -70.08 -56.99 9.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.979 . . . . 0.0 111.96 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 48.4 t0 -62.16 -39.94 94.33 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 120.513 -1.367 . . . . 0.0 110.834 -177.629 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -69.58 -39.93 77.04 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.303 -0.873 . . . . 0.0 111.385 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.8 mt -80.86 -53.73 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.206 -0.933 . . . . 0.0 110.438 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.9 tpt -60.12 -46.95 87.92 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.657 -0.652 . . . . 0.0 111.77 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.92 -36.68 78.27 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.727 -1.233 . . . . 0.0 109.783 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -87.58 -16.99 33.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.046 -1.034 . . . . 0.0 109.451 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 63' ' ' GLU . 66.2 tp -86.69 -21.21 26.8 Favored 'General case' 0 N--CA 1.506 2.37 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 65' ' ' GLY . 35.4 t0 -89.78 48.61 1.61 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.9 pt-20 -40.7 -16.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 111.02 -2.809 . . . . 0.0 110.638 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 62' ' ' ASP . 23.8 m120 -87.47 4.9 41.55 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 54.52 38.62 63.58 Favored Glycine 0 N--CA 1.494 2.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.777 178.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.2 p30 -104.2 -10.49 17.87 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.909 -1.348 . . . . 0.0 110.679 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.05 -6.63 66.24 Favored Glycine 0 N--CA 1.502 3.06 0 O-C-N 120.649 -1.282 . . . . 0.0 110.861 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.5 mt-10 -120.31 143.4 48.38 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -103.04 132.71 48.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.115 -0.991 . . . . 0.0 111.758 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.05 155.2 27.68 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -59.98 -39.96 87.49 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.861 -1.149 . . . . 0.0 109.57 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.4 -39.73 88.43 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.207 -0.933 . . . . 0.0 111.155 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.44 -40.05 81.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.482 -1.386 . . . . 0.0 110.548 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.82 -49.89 68.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.398 -0.814 . . . . 0.0 111.913 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -60.1 -38.03 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.147 -0.97 . . . . 0.0 112.046 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.19 -60.03 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.876 -1.14 . . . . 0.0 111.889 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -69.42 -44.7 70.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.153 -0.967 . . . . 0.0 111.565 -176.853 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.78 -39.97 86.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.066 -1.021 . . . . 0.0 111.056 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.42 -23.3 62.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.95 -26.99 64.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.748 . . . . 0.0 110.402 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.45 ' HB2' HD11 ' A' ' 45' ' ' LEU . 27.5 mt -86.47 -40.6 15.15 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 -178.773 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -45.15 90.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.487 -1.383 . . . . 0.0 109.104 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 84' ' ' ALA . 9.8 p -70.27 -43.25 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.481 -0.762 . . . . 0.0 110.252 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.99 -32.92 73.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.413 -0.805 . . . . 0.0 110.407 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.372 -0.83 . . . . 0.0 109.236 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.06 -39.41 85.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.5 -0.75 . . . . 0.0 109.443 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.677 -179.562 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' B' ' 6' ' ' THR . 43.6 mt-10 -66.42 -53.71 32.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.0 110.69 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 11' ' ' LEU . 16.2 tp -60.05 -39.97 87.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.244 -0.91 . . . . 0.0 110.513 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.42 -48.19 71.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.082 . . . . 0.0 109.069 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 20.9 p -65.13 -29.5 70.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.68 -0.638 . . . . 0.0 110.517 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.472 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.99 -49.51 77.38 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.742 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.675 ' SD ' HD11 ' B' ' 12' ' ' ILE . 0.0 OUTLIER -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.578 -1.326 . . . . 0.0 108.981 -179.695 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.45 -39.98 92.82 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.718 0.77 . . . . 0.0 110.235 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 7.8 p -67.63 -45.65 74.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.646 -0.659 . . . . 0.0 111.265 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.503 HD23 HD13 ' A' ' 4' ' ' LEU . 61.4 mt -59.83 -44.34 94.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.857 . . . . 0.0 110.936 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.675 HD11 ' SD ' ' B' ' 8' ' ' MET . 51.1 mt -71.8 -32.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.202 -0.936 . . . . 0.0 111.418 -178.012 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 120.57 -1.331 . . . . 0.0 108.551 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -79.91 -35.35 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.367 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -60.1 -47.88 84.06 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.569 -1.332 . . . . 0.0 110.483 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -79.05 -22.78 44.87 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.67 -0.644 . . . . 0.0 111.929 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.46 -58.1 3.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.459 -1.401 . . . . 0.0 111.723 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.504 ' CE1' HD11 ' B' ' 28' ' ' LEU . 1.5 p-80 -77.12 -28.85 54.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.142 -1.599 . . . . 0.0 111.456 -178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.577 ' OG ' HD11 ' B' ' 28' ' ' LEU . 69.8 m -66.98 -3.63 7.61 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.749 -1.219 . . . . 0.0 110.184 -178.746 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.2 16.36 42.21 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 C--N 1.304 -1.393 0 O-C-N 121.321 -1.105 . . . . 0.0 109.49 179.015 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 p90 . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -137.06 143.87 42.86 Favored 'General case' 0 N--CA 1.51 2.532 0 O-C-N 120.272 -1.518 . . . . 0.0 108.954 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.577 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.0 mm? -98.02 156.66 16.53 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.074 0.94 . . . . 0.0 111.218 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -130.85 162.12 30.31 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' LYS . . . . . 0.416 ' HA ' HD21 ' B' ' 33' ' ' LEU . 76.7 tttt -45.87 -39.99 9.35 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.076 -1.015 . . . . 0.0 111.767 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.78 -24.72 58.71 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.451 -1.406 . . . . 0.0 112.018 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -80.66 -33.98 35.16 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.384 -1.448 . . . . 0.0 111.509 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' B' ' 30' ' ' LYS . 3.0 pp -75.03 -35.53 61.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.819 -1.176 . . . . 0.0 109.73 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.13 -40.81 91.06 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.062 -1.024 . . . . 0.0 111.305 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 54.1 t0 -79.8 -26.24 40.62 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.766 -1.209 . . . . 0.0 110.863 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.94 -38.78 92.34 Favored 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.042 -1.037 . . . . 0.0 111.313 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -84.26 -34.48 23.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.012 -1.055 . . . . 0.0 112.8 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.521 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 2.6 pp0? -69.39 -29.88 67.73 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.494 -1.379 . . . . 0.0 109.766 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.521 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 8.9 m -80.31 -50.13 10.6 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.663 -0.648 . . . . 0.0 111.684 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -88.23 -56.75 3.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 111.936 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -100.41 73.74 1.68 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.139 -0.975 . . . . 0.0 109.797 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -82.86 -19.82 36.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.637 -0.664 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -107.52 3.81 25.4 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.951 -1.093 . . . . 0.0 111.344 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.43 -85.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.111 -0.993 . . . . 0.0 109.056 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' B' ' 81' ' ' LEU . 3.4 mm? -63.79 135.12 56.38 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 20.9 p-10 -118.57 148.91 42.18 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 4.1 m -151.27 -36.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -83.4 -31.45 26.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.643 -0.661 . . . . 0.0 110.297 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -60.06 -41.65 92.83 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.251 -0.905 . . . . 0.0 110.774 -177.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -129.49 111.55 12.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.392 -0.818 . . . . 0.0 110.21 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -28.86 69.86 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -59.99 -40.05 87.83 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.97 81.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.595 -0.691 . . . . 0.0 111.314 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 48.2 t -71.99 -56.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 111.814 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 48.9 t0 -62.2 -40.04 94.75 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.567 -1.333 . . . . 0.0 110.709 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.58 -39.85 77.06 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.359 -0.838 . . . . 0.0 111.456 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' B' ' 61' ' ' LEU . 83.1 mt -80.83 -53.96 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.174 -0.954 . . . . 0.0 110.452 -177.543 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.0 tpt -59.98 -46.47 89.34 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.666 -0.646 . . . . 0.0 111.777 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.37 -36.46 76.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.648 -1.282 . . . . 0.0 109.848 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -87.66 -17.13 32.53 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' B' ' 57' ' ' ILE . 65.9 tp -86.49 -21.61 26.9 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' B' ' 65' ' ' GLY . 35.3 t0 -89.51 48.83 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.529 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.9 pt-20 -40.91 -16.78 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 110.912 -2.858 . . . . 0.0 110.636 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 62' ' ' ASP . 24.1 m120 -87.38 4.88 41.36 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 55.14 37.11 62.95 Favored Glycine 0 N--CA 1.494 2.554 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.854 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -103.06 -10.56 18.8 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.872 -1.369 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 81.67 -6.06 67.0 Favored Glycine 0 N--CA 1.499 2.839 0 O-C-N 120.68 -1.262 . . . . 0.0 110.682 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.59 142.82 49.03 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.49 132.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 O-C-N 120.981 -1.074 . . . . 0.0 112.122 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -80.08 155.16 27.66 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -59.9 -40.17 87.89 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.782 -1.199 . . . . 0.0 109.477 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.42 -39.69 88.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.262 -0.899 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.53 -39.91 80.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.477 -1.389 . . . . 0.0 110.65 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -64.74 -50.03 68.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.401 -0.812 . . . . 0.0 111.728 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -59.95 -38.27 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.116 -0.99 . . . . 0.0 112.124 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.06 -60.17 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.853 -1.154 . . . . 0.0 111.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.613 ' O ' HD13 ' B' ' 77' ' ' LEU . 1.1 tm? -69.2 -44.78 71.43 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.077 -1.015 . . . . 0.0 111.473 -176.64 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t -65.62 -39.97 86.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.195 -0.941 . . . . 0.0 111.33 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.31 -23.36 62.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -21.28 61.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.516 -0.74 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.453 ' HB2' HD11 ' B' ' 45' ' ' LEU . 21.6 mt -91.39 -39.99 11.69 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.746 -1.221 . . . . 0.0 111.035 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 82' ' ' THR . 0.1 OUTLIER -64.1 -44.66 91.62 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 118.15 -1.42 . . . . 0.0 109.016 -179.022 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.507 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.8 p -70.65 -43.65 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.412 -0.805 . . . . 0.0 110.138 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.507 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.62 -33.05 73.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 110.307 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.4 t -61.85 -39.85 93.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.226 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.87 -39.59 85.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.453 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 109.66 -179.37 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.114 0.483 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -60.01 -49.89 75.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.0 110.161 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 57' ' ' ILE . 38.6 tp -60.06 -50.04 75.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 0.0 110.999 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 42.6 mt -68.84 -39.93 79.7 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.149 -0.969 . . . . 0.0 109.558 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.031 -1.043 . . . . 0.0 110.031 -179.804 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.035 0.445 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.027 -1.045 . . . . 0.0 110.017 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.481 HD13 HD11 ' B' ' 57' ' ' ILE . 42.2 tp -60.08 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 0.0 111.0 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.73 -40.02 80.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.0 109.508 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 0.0 110.119 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.604 ' OE1' HG22 ' B' ' 10' ' ' THR . 71.1 mm-40 -68.84 -53.15 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.495 -0.753 . . . . 0.0 109.941 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.546 ' CD1' HD23 ' B' ' 11' ' ' LEU . 15.3 tp -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-O 121.524 0.678 . . . . 0.0 110.129 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -56.56 -48.43 77.34 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.376 1.084 . . . . 0.0 108.897 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.469 HG22 HG21 ' B' ' 10' ' ' THR . 0.3 OUTLIER -65.17 -26.01 67.98 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -59.32 -48.61 80.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.026 -1.046 . . . . 0.0 109.779 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttt -60.01 -40.01 87.81 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.253 -0.905 . . . . 0.0 110.09 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.99 -39.97 94.04 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.335 -0.853 . . . . 0.0 110.501 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.523 HG22 ' OE1' ' B' ' 3' ' ' GLU . 17.3 p -71.61 -45.58 61.71 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.402 0.62 . . . . 0.0 112.152 -177.214 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.531 HD23 ' CD1' ' B' ' 4' ' ' LEU . 54.3 mt -59.96 -42.2 93.59 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.535 -0.728 . . . . 0.0 111.806 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -80.28 -27.27 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.082 -1.011 . . . . 0.0 111.479 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.27 85.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.289 -1.507 . . . . 0.0 108.351 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 14' ' ' VAL . 17.3 m -78.68 -35.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.324 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 17.8 m-30 -60.04 -51.04 71.32 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.942 -1.099 . . . . 0.0 110.964 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -79.19 -26.5 42.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.477 -0.765 . . . . 0.0 111.921 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.04 2.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.388 -1.445 . . . . 0.0 110.539 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.1 m80 -66.54 -38.27 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.849 -1.157 . . . . 0.0 110.472 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 t -64.9 -12.57 50.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.097 -1.002 . . . . 0.0 111.768 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.71 14.58 60.36 Favored Glycine 0 N--CA 1.498 2.818 0 O-C-N 121.267 -0.895 . . . . 0.0 111.005 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.385 . . . . 0.0 109.229 179.121 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.921 0.867 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.3 144.85 30.98 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 28' ' ' LEU . 4.2 mm? -96.38 149.34 21.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.789 -1.194 . . . . 0.0 110.284 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 56.4 m -124.5 160.77 27.54 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -48.83 -44.54 39.52 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.557 -1.34 . . . . 0.0 110.657 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -68.14 -28.97 67.77 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.546 -1.346 . . . . 0.0 111.594 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HB2' ' H ' ' A' ' 29' ' ' SER . 85.1 mt-10 -78.36 -36.25 46.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.674 -1.266 . . . . 0.0 108.725 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' HE2' ' A' ' 34' ' ' LYS . 64.4 tp -60.0 -49.99 75.5 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.712 -0.618 . . . . 0.0 112.232 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HE2' HD23 ' A' ' 33' ' ' LEU . 18.0 mmtt -67.63 -41.76 83.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.82 -1.175 . . . . 0.0 112.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.06 -30.01 69.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 108.723 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 74' ' ' PHE . 48.0 tp -60.02 -39.33 85.45 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 41' ' ' LEU . 57.6 mt -83.04 -41.6 18.46 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 120.231 -1.543 . . . . 0.0 112.12 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.06 -16.21 53.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.727 -1.233 . . . . 0.0 111.348 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.2 m -90.36 -28.48 18.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.416 -1.427 . . . . 0.0 109.369 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mp0 -109.86 -39.46 5.07 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mt -102.22 136.18 42.52 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.284 1.04 . . . . 0.0 108.447 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.0 m -50.52 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.357 -0.84 . . . . 0.0 111.198 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 m -161.38 42.25 0.15 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 0.0 110.684 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.98 -40.0 48.39 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -94.85 128.73 41.81 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 175.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -98.26 146.69 25.39 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.131 -0.98 . . . . 0.0 109.218 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -151.0 -33.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -79.99 -68.53 0.66 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.361 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.01 -38.94 84.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.979 -1.075 . . . . 0.0 110.761 -178.766 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.06 90.24 5.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.613 -1.305 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.19 69.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.368 -0.832 . . . . 0.0 109.338 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.92 -38.4 82.22 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -62.93 -38.51 91.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.615 -0.678 . . . . 0.0 110.825 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.401 HG13 ' CE ' ' A' ' 34' ' ' LYS . 67.4 t -69.37 -55.87 13.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.897 -1.127 . . . . 0.0 112.294 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.95 -39.97 90.93 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.631 -1.293 . . . . 0.0 110.819 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -69.25 -39.96 78.16 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.275 -0.89 . . . . 0.0 111.061 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -78.59 -54.18 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 110.466 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.9 tpt -59.99 -43.54 95.1 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.781 -0.574 . . . . 0.0 112.159 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -68.98 -36.17 77.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.798 -1.189 . . . . 0.0 110.083 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -92.14 -25.86 18.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.03 -1.044 . . . . 0.0 109.724 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.566 ' C ' ' H ' ' A' ' 63' ' ' GLU . 64.1 tp -69.97 -36.08 74.94 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 8.2 t70 -76.7 54.53 0.98 Allowed 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 174.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.566 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.1 tp10 -48.69 -22.13 0.73 Allowed 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 111.395 -2.639 . . . . 0.0 110.448 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -85.13 -0.08 53.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.631 -1.293 . . . . 0.0 107.777 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.34 31.87 78.82 Favored Glycine 0 N--CA 1.495 2.617 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.912 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.573 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 9.7 p-10 -97.81 -12.35 22.31 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.897 -1.355 . . . . 0.0 109.842 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.578 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -6.03 75.49 Favored Glycine 0 N--CA 1.498 2.78 0 O-C-N 120.759 -1.213 . . . . 0.0 110.275 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.545 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.0 mt-10 -120.15 143.14 48.36 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -101.86 131.23 50.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 CA-C-O 122.168 0.985 . . . . 0.0 111.0 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.0 152.94 32.83 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.12 71.27 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.548 -1.345 . . . . 0.0 108.863 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.04 -39.95 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.428 -1.42 . . . . 0.0 109.652 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.458 ' CE2' HD21 ' A' ' 37' ' ' LEU . 26.0 t80 -61.31 -40.06 92.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.729 -0.607 . . . . 0.0 112.345 -178.936 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 2.4 p -71.97 -32.98 46.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 O-C-N 121.131 -0.98 . . . . 0.0 110.88 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.73 -59.62 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.09 -1.006 . . . . 0.0 112.106 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.47 -41.66 69.1 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.656 -1.277 . . . . 0.0 112.96 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 82' ' ' THR . 18.5 t -69.98 -40.18 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.491 -1.381 . . . . 0.0 110.906 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -74.13 -25.57 59.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.325 -0.859 . . . . 0.0 108.809 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -31.32 71.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.465 -0.772 . . . . 0.0 110.214 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.503 HD11 HD21 ' C' ' 8' ' ' LEU . 79.1 mt -90.72 -29.0 17.94 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.144 -0.973 . . . . 0.0 110.49 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.508 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 37.1 p -60.82 -54.75 41.35 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.092 -1.005 . . . . 0.0 110.629 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 83' ' ' VAL . 20.1 m -80.68 -33.28 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.768 -1.207 . . . . 0.0 111.031 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.998 -1.064 . . . . 0.0 110.764 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 82' ' ' THR . 22.2 p -68.84 -39.06 80.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.107 -0.995 . . . . 0.0 108.724 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.88 -36.44 76.93 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.543 -0.723 . . . . 0.0 109.529 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.692 -179.234 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE1' HG22 ' A' ' 10' ' ' THR . 71.1 mm-40 -68.78 -53.46 21.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.511 -0.743 . . . . 0.0 109.883 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.531 ' CD1' HD23 ' A' ' 11' ' ' LEU . 18.8 tp -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.402 0.62 . . . . 0.0 109.967 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -56.43 -48.58 76.71 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.415 1.102 . . . . 0.0 108.932 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 10' ' ' THR . 0.3 OUTLIER -65.05 -25.47 67.83 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.431 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -60.01 -48.26 82.44 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.668 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.397 -0.814 . . . . 0.0 109.999 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.77 -40.03 93.72 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.973 0.892 . . . . 0.0 110.363 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.604 HG22 ' OE1' ' A' ' 3' ' ' GLU . 16.8 p -71.59 -45.57 61.8 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.419 0.628 . . . . 0.0 112.297 -177.22 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.546 HD23 ' CD1' ' A' ' 4' ' ' LEU . 50.5 mt -60.05 -41.52 92.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.715 . . . . 0.0 111.864 -178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mt -79.91 -29.72 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.126 -0.984 . . . . 0.0 111.026 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.66 -38.95 79.25 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.518 -1.364 . . . . 0.0 108.127 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.2 -35.18 17.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.361 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 17.9 m-30 -60.02 -51.08 71.2 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.881 -1.137 . . . . 0.0 110.9 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -79.39 -26.09 42.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 111.958 -177.705 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.97 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.325 -1.485 . . . . 0.0 110.483 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 18' ' ' HIS . . . . . 0.529 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 76.5 m80 -66.56 -38.44 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.827 -1.171 . . . . 0.0 110.447 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -64.89 -12.08 44.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.232 -0.917 . . . . 0.0 111.756 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 13.9 60.23 Favored Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.299 -0.875 . . . . 0.0 111.006 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 120.712 -1.463 . . . . 0.0 109.532 179.183 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.818 0.818 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.54 144.89 30.79 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 176.799 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.463 ' N ' HD22 ' B' ' 28' ' ' LEU . 4.2 mm? -96.34 149.07 22.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.747 -1.22 . . . . 0.0 110.331 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.481 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 55.2 m -124.23 160.62 27.54 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -48.84 -44.17 39.3 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.673 -1.267 . . . . 0.0 110.74 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.44 -27.67 65.45 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.545 -1.347 . . . . 0.0 111.382 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.481 ' HB2' ' H ' ' B' ' 29' ' ' SER . 85.6 mt-10 -78.47 -36.41 45.29 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 108.78 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.12 -50.02 75.33 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.591 -0.693 . . . . 0.0 112.122 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.418 ' CE ' HG13 ' B' ' 54' ' ' VAL . 18.2 mmtt -67.21 -41.96 84.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.821 -1.175 . . . . 0.0 111.978 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.408 ' O ' ' OG1' ' B' ' 39' ' ' THR . 13.3 t70 -68.23 -29.8 68.71 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.8 -1.187 . . . . 0.0 108.768 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.6 tp -60.11 -39.49 86.41 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.739 -0.6 . . . . 0.0 112.531 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 41' ' ' LEU . 57.5 mt -83.35 -39.8 20.27 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.279 -1.513 . . . . 0.0 112.594 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -82.74 -16.06 49.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.242 -1.536 . . . . 0.0 111.266 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 31.9 m -90.02 -28.64 18.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.547 -1.345 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.529 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 12.8 mp0 -109.83 -39.33 5.12 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 41' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 37' ' ' LEU . 1.8 mt -102.33 136.18 42.62 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 122.244 1.021 . . . . 0.0 108.472 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.9 m -50.37 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.919 0 O-C-N 121.392 -0.817 . . . . 0.0 111.033 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m -161.13 42.69 0.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 110.684 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -77.04 -39.98 48.06 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.431 HD13 ' N ' ' B' ' 45' ' ' LEU . 0.5 OUTLIER -95.07 128.26 41.76 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 176.126 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 34.0 p-10 -97.96 146.66 25.26 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 121.207 -0.933 . . . . 0.0 109.192 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.04 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.94 -68.45 0.67 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.197 -0.939 . . . . 0.0 110.38 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.694 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.08 -38.96 84.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.004 -1.06 . . . . 0.0 110.784 -178.795 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -95.07 90.12 5.81 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.68 -1.263 . . . . 0.0 109.628 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.2 -32.9 69.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.904 . . . . 0.0 109.49 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.96 -38.32 82.16 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.523 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -63.97 -36.06 82.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.593 -0.692 . . . . 0.0 111.245 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.418 HG13 ' CE ' ' B' ' 34' ' ' LYS . 63.9 t -71.04 -55.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.908 -1.12 . . . . 0.0 112.105 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.93 -39.97 90.98 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.69 -1.256 . . . . 0.0 110.925 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -69.24 -40.06 78.11 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.271 -0.893 . . . . 0.0 111.029 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.4 mt -78.46 -54.19 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-O 121.753 0.787 . . . . 0.0 110.495 -176.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.1 tpt -59.99 -43.68 95.0 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.729 -0.607 . . . . 0.0 112.177 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.94 -35.87 77.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.859 -1.15 . . . . 0.0 110.183 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -92.48 -25.69 18.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 109.702 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' GLU . 64.4 tp -69.99 -36.25 75.03 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.589 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 8.3 t70 -76.64 54.62 0.97 Allowed 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.2 tp10 -48.65 -22.28 0.75 Allowed 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 111.285 -2.689 . . . . 0.0 110.327 -177.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -85.18 0.01 53.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.623 -1.298 . . . . 0.0 107.806 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.23 32.0 79.07 Favored Glycine 0 N--CA 1.495 2.625 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.921 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.583 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 9.6 p-10 -97.61 -12.91 21.94 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.997 -1.296 . . . . 0.0 109.725 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.589 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.97 -5.86 77.52 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.0 mt-10 -120.26 142.94 48.6 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -101.28 131.09 49.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 CA-C-O 122.275 1.036 . . . . 0.0 111.137 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.85 152.81 33.2 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -36.25 71.4 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.527 -1.358 . . . . 0.0 108.91 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -60.05 -39.94 87.73 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.195 -0.941 . . . . 0.0 110.892 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.6 -39.93 80.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.449 -1.407 . . . . 0.0 109.633 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 26.3 t80 -61.4 -39.97 92.68 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.727 -0.608 . . . . 0.0 112.439 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 2.0 p -71.6 -33.84 50.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 121.131 -0.981 . . . . 0.0 110.944 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.2 -59.82 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 111.977 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.18 -41.8 69.86 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.664 -1.273 . . . . 0.0 112.98 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.2 t -70.12 -40.05 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.487 -1.383 . . . . 0.0 110.934 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -73.8 -25.95 60.37 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.865 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.56 -23.72 67.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.514 -0.742 . . . . 0.0 111.067 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.464 HD11 HD21 ' D' ' 8' ' ' LEU . 79.0 mt -96.04 -28.98 14.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.002 -1.061 . . . . 0.0 109.783 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 35.3 p -61.01 -54.52 43.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.351 -0.843 . . . . 0.0 110.558 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.04 -33.56 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.839 -1.163 . . . . 0.0 110.916 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.044 -1.035 . . . . 0.0 110.826 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 82' ' ' THR . 23.0 p -68.87 -38.9 80.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.025 -1.047 . . . . 0.0 108.678 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.92 -36.39 76.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.568 -0.708 . . . . 0.0 109.487 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.566 -179.18 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 6' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' C' ' 10' ' ' SER . 82.6 t60 . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -60.07 -49.92 75.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.142 -0.974 . . . . 0.0 110.246 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.92 -50.05 70.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.104 -0.998 . . . . 0.0 110.314 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.9 mp -69.98 -39.96 75.64 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.63 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 10' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' C' ' 6' ' ' HIS . 44.2 t . . . . . 0 N--CA 1.494 1.752 0 O-C-N 120.959 -1.088 . . . . 0.0 109.532 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 6' ' ' HIS . . . . . 0.419 ' O ' ' CB ' ' D' ' 10' ' ' SER . 83.2 t60 . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.89 -49.95 70.67 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.029 -1.044 . . . . 0.0 110.312 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 9' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.4 mp -70.04 -39.96 75.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 10' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' D' ' 6' ' ' HIS . 45.1 t . . . . . 0 N--CA 1.493 1.714 0 O-C-N 120.936 -1.102 . . . . 0.0 109.498 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.6 mp0 -64.07 -53.06 55.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.311 -0.868 . . . . 0.0 110.469 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.458 HD13 HD23 ' B' ' 11' ' ' LEU . 15.4 tp -59.63 -39.04 83.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.461 -0.774 . . . . 0.0 110.476 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -54.92 -48.81 72.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.199 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 p -64.35 -33.81 76.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.757 -0.589 . . . . 0.0 110.623 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.601 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.77 -49.48 70.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -177.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.446 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 12.6 ttt -59.89 -39.75 86.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.592 -1.317 . . . . 0.0 109.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.51 -39.91 89.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.773 . . . . 0.0 110.329 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.57 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 23.1 p -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.642 -0.661 . . . . 0.0 111.914 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.422 HD23 HD13 ' B' ' 4' ' ' LEU . 69.5 mt -60.03 -40.07 88.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.873 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.08 -29.83 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.426 -0.796 . . . . 0.0 111.567 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.55 -39.99 93.1 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.381 -1.449 . . . . 0.0 108.605 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.1 m -82.06 -36.81 14.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.379 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' N ' HG23 ' A' ' 14' ' ' VAL . 55.8 t80 -59.92 -50.23 74.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 0.0 111.133 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -74.99 -24.16 58.38 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.726 -0.609 . . . . 0.0 110.766 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 -59.39 2.81 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.787 -1.195 . . . . 0.0 110.98 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.52 -39.96 77.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.377 -1.452 . . . . 0.0 111.318 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.15 -16.5 64.36 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.973 -1.08 . . . . 0.0 111.477 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.14 12.0 70.77 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 N--CA 1.49 1.527 0 O-C-N 120.657 -1.496 . . . . 0.0 107.28 178.364 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 120.711 0.291 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -94.47 141.56 28.45 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.79 158.6 15.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.834 -1.167 . . . . 0.0 110.591 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.582 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.0 t -130.75 163.82 26.45 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -46.89 -39.93 13.11 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.099 -1.001 . . . . 0.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -81.66 -26.26 34.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.569 -1.332 . . . . 0.0 112.365 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HB2' ' H ' ' A' ' 29' ' ' SER . 35.9 mt-10 -76.79 -31.42 56.98 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.355 -1.465 . . . . 0.0 110.275 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.47 -34.15 25.45 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.017 -1.052 . . . . 0.0 110.228 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -61.78 -40.98 97.09 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.025 -1.047 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -78.28 -31.45 48.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.197 -0.94 . . . . 0.0 110.144 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -64.53 -39.81 94.44 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.419 -0.801 . . . . 0.0 112.642 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -82.94 -39.02 21.98 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.859 -1.15 . . . . 0.0 112.657 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.3 pt20 -67.51 -40.0 85.14 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.82 -1.175 . . . . 0.0 110.339 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 20.9 m -81.89 -65.12 1.05 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.724 0.773 . . . . 0.0 112.161 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.97 -40.68 75.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.92 34.57 2.25 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 120.802 -1.186 . . . . 0.0 110.493 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 43' ' ' SER . 43.2 m -50.8 133.73 25.98 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 157.19 -47.66 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 CA-C-N 119.068 0.849 . . . . 0.0 110.679 179.275 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 67.4 t80 -160.96 -34.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 110.76 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -58.91 129.51 42.51 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -111.14 144.34 40.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.822 -1.174 . . . . 0.0 108.484 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 1.9 m -152.43 -30.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 38' ' ' GLN . 69.0 mm-40 -80.01 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.864 -1.147 . . . . 0.0 111.338 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.86 -31.13 70.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 0.0 110.983 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.32 91.35 6.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.928 -1.108 . . . . 0.0 109.739 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.84 77.04 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.785 . . . . 0.0 109.344 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.89 94.24 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.518 -0.738 . . . . 0.0 111.716 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 96.9 t -69.5 -56.32 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.809 -1.182 . . . . 0.0 111.974 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.08 -40.0 95.28 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.534 -1.354 . . . . 0.0 110.723 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.7 -39.97 73.13 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.225 -0.922 . . . . 0.0 111.805 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.5 mt -76.98 -54.72 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.097 -1.002 . . . . 0.0 109.847 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.425 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 5.5 tpt -60.02 -47.3 86.39 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.54 -0.725 . . . . 0.0 111.464 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.18 -39.94 90.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.153 -0.967 . . . . 0.0 110.138 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.99 -16.58 33.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.092 -1.005 . . . . 0.0 109.538 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 57' ' ' ILE . 63.7 tp -85.2 -18.57 33.66 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 65' ' ' GLY . 17.0 t0 -91.26 45.93 1.27 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 61' ' ' LEU . 51.1 tp10 -39.71 -19.58 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.511 -2.586 . . . . 0.0 110.53 -178.103 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 62' ' ' ASP . 28.5 m120 -87.67 1.28 54.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.637 -1.289 . . . . 0.0 108.233 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.18 36.02 91.74 Favored Glycine 0 N--CA 1.495 2.579 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.742 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 4.0 p30 -101.61 -14.08 17.57 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.836 -1.391 . . . . 0.0 110.585 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.535 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.75 -5.04 76.82 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 120.665 -1.272 . . . . 0.0 110.859 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.8 mt-10 -123.18 143.74 49.82 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.425 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 62.6 t -107.72 129.04 62.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.223 -0.923 . . . . 0.0 110.071 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -80.43 166.28 21.4 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.7 p90 -59.97 -36.51 77.29 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.092 -1.005 . . . . 0.0 111.009 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' VAL . 61.9 tt0 -61.7 -41.84 98.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.492 -1.38 . . . . 0.0 110.811 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.04 -39.99 75.41 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.809 -1.182 . . . . 0.0 111.063 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.9 t80 -67.21 -39.96 86.36 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.242 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -74.86 -31.82 26.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.37 -0.831 . . . . 0.0 111.047 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -70.04 -58.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.38 -0.825 . . . . 0.0 111.902 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.51 -39.91 81.06 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.968 -1.083 . . . . 0.0 113.107 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 74' ' ' PHE . 15.2 m -66.2 -38.49 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.816 -1.178 . . . . 0.0 110.742 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.11 -27.26 59.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.56 -0.712 . . . . 0.0 110.943 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.03 65.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.563 -1.336 . . . . 0.0 108.421 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 45' ' ' LEU . 48.1 mt -65.0 -34.68 79.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.707 -0.62 . . . . 0.0 110.213 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.2 m -60.42 -55.04 38.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.322 -0.861 . . . . 0.0 111.442 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' B' ' 71' ' ' PHE . 45.4 t -73.43 -39.78 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.101 -1.0 . . . . 0.0 110.876 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.98 84.28 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.383 0.611 . . . . 0.0 110.209 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 52.2 t -63.06 -40.07 96.6 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.85 . . . . 0.0 109.704 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.95 -40.24 88.33 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 120.94 -1.1 . . . . 0.0 110.353 -179.307 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.6 mp0 -63.97 -52.73 58.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.325 -0.86 . . . . 0.0 110.532 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.422 HD13 HD23 ' A' ' 11' ' ' LEU . 17.7 tp -60.0 -39.36 85.53 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.672 -0.643 . . . . 0.0 110.323 -177.075 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.47 -49.17 70.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.073 -1.017 . . . . 0.0 109.269 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 39.8 p -64.43 -32.56 74.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.683 -0.636 . . . . 0.0 110.536 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.57 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.93 -48.74 75.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.376 -0.828 . . . . 0.0 110.381 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.2 ttt -59.97 -39.94 87.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.91 -1.119 . . . . 0.0 109.145 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.18 -40.06 88.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.552 -0.717 . . . . 0.0 110.127 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.601 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 22.5 p -70.59 -46.46 63.38 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.541 -0.725 . . . . 0.0 111.859 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.458 HD23 HD13 ' A' ' 4' ' ' LEU . 67.8 mt -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 0.0 110.874 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.02 -32.12 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 111.102 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.15 -39.92 88.05 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.567 -1.333 . . . . 0.0 108.542 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.417 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.3 m -82.12 -36.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.413 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.417 ' N ' HG23 ' B' ' 14' ' ' VAL . 56.0 t80 -60.0 -50.35 74.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.152 -0.967 . . . . 0.0 111.134 -178.589 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -74.96 -24.18 58.41 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.728 -0.607 . . . . 0.0 110.623 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.69 -59.74 2.65 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.841 -1.162 . . . . 0.0 111.077 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.31 -40.03 77.89 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.404 -1.435 . . . . 0.0 111.413 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.12 -16.58 64.41 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.949 -1.095 . . . . 0.0 111.499 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.29 12.27 70.06 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp . . . . . 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.428 . . . . 0.0 107.269 178.08 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.796 0.331 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.4 ' C ' HD22 ' B' ' 28' ' ' LEU . 6.2 tppt? -94.29 141.55 28.44 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.85 158.16 15.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.743 -1.223 . . . . 0.0 110.708 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.583 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.0 t -130.33 163.72 26.22 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -46.92 -39.96 13.28 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.052 -1.03 . . . . 0.0 110.707 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -81.64 -26.16 35.04 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.659 -1.275 . . . . 0.0 112.232 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.583 ' HB2' ' H ' ' B' ' 29' ' ' SER . 36.0 mt-10 -76.91 -31.51 56.76 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.222 -1.549 . . . . 0.0 110.296 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.32 -33.76 25.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.926 -1.109 . . . . 0.0 110.306 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.37 -41.06 98.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.064 -1.022 . . . . 0.0 110.071 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.12 -31.37 49.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.216 -0.927 . . . . 0.0 110.137 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.86 -39.3 93.33 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.453 -0.78 . . . . 0.0 112.693 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -83.25 -39.27 21.11 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.789 -1.194 . . . . 0.0 112.552 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' B' ' 39' ' ' THR . 12.7 pt20 -67.23 -40.01 86.28 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.773 -1.204 . . . . 0.0 110.338 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 20.3 m -81.82 -65.12 1.05 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.774 0.797 . . . . 0.0 112.152 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.01 -40.47 75.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 34.24 2.36 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.778 -1.201 . . . . 0.0 110.406 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 53.3 m -50.77 133.95 25.61 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 156.84 -48.18 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 119.077 0.853 . . . . 0.0 110.641 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.555 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 68.5 t80 -160.16 -35.2 0.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.737 -1.227 . . . . 0.0 110.686 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.567 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.7 mm? -58.55 129.13 40.59 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -110.87 144.3 40.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.805 -1.184 . . . . 0.0 108.521 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 1.6 m -152.42 -30.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.44 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 67.8 mm-40 -79.98 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 111.39 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.905 . . . . 0.0 111.018 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -94.19 91.46 6.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.906 -1.121 . . . . 0.0 109.623 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.62 76.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.308 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -59.95 -38.9 83.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.257 -0.902 . . . . 0.0 108.67 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.23 86.57 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.531 -0.731 . . . . 0.0 112.078 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 99.5 t -71.25 -56.71 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.79 -1.194 . . . . 0.0 111.72 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -63.71 -40.06 95.83 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.651 -1.281 . . . . 0.0 110.817 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.94 -39.95 72.32 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.174 -0.954 . . . . 0.0 111.633 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -76.81 -54.73 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.068 -1.02 . . . . 0.0 109.762 -177.707 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.431 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 5.2 tpt -59.95 -47.31 86.33 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.701 -0.624 . . . . 0.0 111.468 -178.543 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.44 -39.98 89.21 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.026 -1.046 . . . . 0.0 110.166 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -87.54 -16.84 33.49 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.204 -0.935 . . . . 0.0 109.523 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' B' ' 57' ' ' ILE . 61.4 tp -85.34 -18.38 33.99 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' B' ' 65' ' ' GLY . 17.0 t0 -91.35 45.81 1.26 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' B' ' 61' ' ' LEU . 51.2 tp10 -39.68 -19.53 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 111.602 -2.545 . . . . 0.0 110.511 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 62' ' ' ASP . 28.2 m120 -87.42 0.9 54.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.691 -1.256 . . . . 0.0 108.245 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 62.02 34.71 89.82 Favored Glycine 0 N--CA 1.493 2.492 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.871 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 4.0 p30 -100.97 -13.56 18.24 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.876 -1.367 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.26 -4.81 75.24 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 120.61 -1.306 . . . . 0.0 110.807 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.577 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.5 mt-10 -123.29 143.45 50.06 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.431 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 63.2 t -106.85 128.84 61.3 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 121.174 -0.954 . . . . 0.0 110.23 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.29 166.45 21.34 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.431 ' CD1' HG11 ' A' ' 83' ' ' VAL . 47.2 p90 -60.05 -36.51 77.47 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.042 -1.036 . . . . 0.0 110.969 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 60.7 tt0 -61.8 -41.59 97.93 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.444 -1.41 . . . . 0.0 110.815 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.25 -39.93 74.73 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.798 -1.189 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.588 ' O ' HG22 ' B' ' 78' ' ' VAL . 64.8 t80 -67.05 -40.09 87.07 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.93 -31.86 26.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 O-C-N 121.412 -0.805 . . . . 0.0 111.178 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 76' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.5 t -69.85 -58.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.472 -0.767 . . . . 0.0 112.107 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.55 -40.02 80.85 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.921 -1.112 . . . . 0.0 112.903 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.3 m -66.3 -38.13 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.651 -1.281 . . . . 0.0 110.674 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.509 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.47 -26.79 58.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.575 -0.703 . . . . 0.0 111.042 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.422 ' HB2' HD11 ' B' ' 45' ' ' LEU . 52.1 mt -60.11 -35.61 75.62 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.229 0.538 . . . . 0.0 110.29 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.446 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 61.8 m -60.49 -54.92 39.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.983 -1.073 . . . . 0.0 111.551 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 71' ' ' PHE . 42.4 t -73.64 -39.37 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.115 -0.991 . . . . 0.0 110.99 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.22 85.19 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.103 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.555 ' SG ' ' CE1' ' B' ' 44' ' ' PHE . 52.3 t -62.92 -40.03 96.37 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.438 -0.789 . . . . 0.0 109.69 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.06 -40.19 88.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.313 -0.867 . . . . 0.0 110.537 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 0.0 110.296 -179.294 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 120.753 0.311 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.563 ' CE ' ' HZ2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -61.47 -40.16 93.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.592 -1.317 . . . . 0.0 111.024 -178.746 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.35 -50.3 74.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.712 -1.243 . . . . 0.0 110.581 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.3 mp -63.86 -39.99 95.49 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.21 -0.931 . . . . 0.0 108.534 178.112 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 120.761 0.315 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 7' ' ' LYS . . . . . 0.492 ' CE ' ' HZ2' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -61.49 -40.02 93.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.627 -1.295 . . . . 0.0 111.1 -178.513 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.36 -50.1 74.94 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.753 -1.217 . . . . 0.0 110.307 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 9' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.9 mp -63.9 -39.81 95.05 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.301 -0.875 . . . . 0.0 108.912 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--N 1.301 -1.543 0 O-C-N 121.115 -0.99 . . . . 0.0 108.386 178.214 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.32 -53.91 50.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.73 -0.607 . . . . 0.0 110.362 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' B' ' 40' ' ' GLU . 91.8 mt -59.91 -39.63 86.09 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.47 -40.83 65.6 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.744 -1.223 . . . . 0.0 108.031 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.789 HG22 HG21 ' B' ' 10' ' ' THR . 0.4 OUTLIER -72.2 -30.47 64.98 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.812 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.9 -53.14 61.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.14 -0.975 . . . . 0.0 110.039 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.35 -40.15 93.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.24 -0.912 . . . . 0.0 111.143 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -39.53 93.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.779 HG21 HG22 ' B' ' 6' ' ' THR . 17.4 p -69.66 -45.49 68.25 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.73 -0.607 . . . . 0.0 111.108 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.54 -40.16 90.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.627 -0.671 . . . . 0.0 111.972 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.39 -32.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.819 -1.175 . . . . 0.0 112.172 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -61.67 -39.88 92.98 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.26 -1.525 . . . . 0.0 109.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG21 HD21 ' B' ' 4' ' ' LEU . 33.9 m -75.46 -34.82 30.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.624 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -60.17 -54.83 41.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.055 -1.028 . . . . 0.0 111.074 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -73.18 -23.92 60.49 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.607 -0.683 . . . . 0.0 112.279 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.64 -60.16 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.394 -1.441 . . . . 0.0 111.493 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -76.31 -38.52 55.92 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.452 -1.405 . . . . 0.0 112.312 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.4 p -62.32 -21.26 65.13 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.945 -1.097 . . . . 0.0 112.551 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.69 19.18 42.36 Favored Glycine 0 N--CA 1.503 3.141 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 N--CA 1.489 1.52 0 O-C-N 120.879 -1.365 . . . . 0.0 109.253 179.72 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.509 2.476 0 CA-C-O 122.217 1.008 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HZ3' ' HB2' ' A' ' 27' ' ' LYS . 11.8 ttmm -142.66 143.16 32.23 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.6 tp -91.59 154.88 18.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.95 -1.094 . . . . 0.0 108.406 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.485 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 38.2 t -129.44 164.08 24.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.395 -0.816 . . . . 0.0 109.658 -178.359 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -52.58 -47.05 67.12 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.175 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -73.59 -35.04 65.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.975 -1.078 . . . . 0.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HB2' ' H ' ' A' ' 29' ' ' SER . 95.5 mt-10 -70.39 -31.91 69.33 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.352 -0.843 . . . . 0.0 110.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.68 ' O ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -82.08 -33.23 29.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 0.0 110.466 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.17 -43.99 95.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.161 -0.962 . . . . 0.0 110.904 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.65 -27.36 31.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.108 -0.995 . . . . 0.0 111.186 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.7 -40.48 76.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 112.085 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.721 HD23 ' H ' ' A' ' 38' ' ' GLN . 1.1 pt? -83.88 -39.96 19.22 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.323 -0.86 . . . . 0.0 111.944 -177.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.721 ' H ' HD23 ' A' ' 37' ' ' LEU . 1.7 pp0? -66.54 -38.4 87.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.606 -1.309 . . . . 0.0 110.205 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -66.09 -42.67 89.0 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.171 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.577 ' HB2' HD12 ' B' ' 4' ' ' LEU . 7.7 mt-10 -100.75 -19.66 15.92 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.706 -1.246 . . . . 0.0 111.068 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -122.12 73.86 1.12 Allowed 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.007 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 43' ' ' SER . 73.2 p -85.64 141.0 30.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.424 0.631 . . . . 0.0 109.435 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER 73.75 -3.14 2.57 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.373 -0.83 . . . . 0.0 111.007 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.76 -61.14 1.69 Allowed 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.464 HD21 HD21 ' A' ' 81' ' ' LEU . 1.9 mm? -103.29 136.84 42.31 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 15.9 p-10 -118.79 150.52 39.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.076 -1.015 . . . . 0.0 108.868 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.656 HG11 HD21 ' A' ' 37' ' ' LEU . 10.8 m -154.27 -38.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' N ' HG23 ' A' ' 47' ' ' VAL . 85.6 mt-30 -70.21 -52.04 26.33 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.201 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptpt -69.28 -41.04 77.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.077 -1.014 . . . . 0.0 110.749 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 49' ' ' LYS . 57.7 t0 -100.52 95.35 6.66 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.427 -0.796 . . . . 0.0 110.112 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.77 71.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.454 -0.779 . . . . 0.0 109.018 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -65.0 -38.35 90.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.342 -0.849 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG22 ' HB ' ' A' ' 47' ' ' VAL . 47.9 t -69.93 -55.08 16.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 120.898 -1.126 . . . . 0.0 111.761 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.34 -40.01 81.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.706 -1.246 . . . . 0.0 111.266 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.563 ' HZ2' ' CE ' ' C' ' 7' ' ' LYS . 0.7 OUTLIER -69.04 -40.0 78.83 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.976 -1.077 . . . . 0.0 111.473 -178.265 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -77.1 -54.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.212 -0.93 . . . . 0.0 110.607 -177.063 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.501 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -62.61 -45.28 93.6 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.674 -0.641 . . . . 0.0 112.084 -177.219 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' CB ' ' NZ ' ' A' ' 59' ' ' LYS . 8.8 mtmp? -65.53 -38.62 90.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.772 -1.205 . . . . 0.0 109.527 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -87.39 -16.21 35.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.134 -0.979 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.1 tp -90.79 -18.81 24.28 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.62 ' O ' ' N ' ' A' ' 65' ' ' GLY . 42.3 t0 -91.34 46.94 1.34 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 103.076 -2.935 . . . . 0.0 103.076 173.853 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' LEU . 52.3 tp10 -39.16 -20.22 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 110.821 -2.899 . . . . 0.0 110.556 -177.486 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' ASP . 17.8 t-20 -85.44 -0.24 54.3 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.341 -1.474 . . . . 0.0 108.102 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 60.03 39.87 96.28 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -102.12 -11.05 19.12 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.002 -1.293 . . . . 0.0 110.952 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 87.07 -9.61 71.85 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 120.59 -1.319 . . . . 0.0 110.393 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 44.4 mt-10 -125.51 144.76 50.4 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 60.9 t -104.71 132.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 72' ' ' GLN . 94.6 m-20 -87.59 126.52 34.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.163 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.509 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 45.2 p90 -26.46 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.9 tt0 -60.2 -40.97 91.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.611 -1.306 . . . . 0.0 109.539 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.1 mt-10 -69.15 -40.01 78.46 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.22 -0.925 . . . . 0.0 109.951 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -62.05 -39.94 94.06 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -71.3 -34.15 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.091 -1.005 . . . . 0.0 110.726 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.75 -58.66 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.114 -0.991 . . . . 0.0 111.235 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.468 ' O ' HD22 ' A' ' 81' ' ' LEU . 6.2 tt -70.1 -42.41 72.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.826 -1.171 . . . . 0.0 113.561 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' HD23 ' A' ' 81' ' ' LEU . 53.1 t -61.14 -40.05 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.658 -1.276 . . . . 0.0 110.45 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.56 -28.12 37.32 Favored 'General case' 0 C--N 1.286 -2.167 0 O-C-N 121.219 -0.925 . . . . 0.0 112.412 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.81 -56.05 10.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 119.806 -1.809 . . . . 0.0 110.02 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 82' ' ' THR . 1.3 pt? -62.23 -39.1 91.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.026 -1.046 . . . . 0.0 111.051 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.592 ' H ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -61.92 -49.78 74.78 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.385 -0.822 . . . . 0.0 112.102 -177.488 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' N ' ' CG2' ' A' ' 82' ' ' THR . 19.4 m -74.05 -36.63 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.095 -1.628 . . . . 0.0 109.742 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.5 -32.17 72.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.789 -0.57 . . . . 0.0 110.744 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.0 m -69.93 -40.25 75.64 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.239 -0.913 . . . . 0.0 109.001 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.0 -39.95 91.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.496 -0.753 . . . . 0.0 109.994 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.794 . . . . 0.0 110.873 -178.461 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.4 -53.93 50.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.197 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 40' ' ' GLU . 93.1 mt -59.83 -39.72 86.03 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.215 -0.928 . . . . 0.0 110.03 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -53.48 -41.07 65.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.708 -1.245 . . . . 0.0 107.997 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.779 HG22 HG21 ' A' ' 10' ' ' THR . 0.4 OUTLIER -72.03 -28.88 63.66 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.829 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.43 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.85 -51.69 68.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.065 -1.022 . . . . 0.0 109.758 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.79 -40.14 94.17 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.462 -0.774 . . . . 0.0 110.82 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.73 -39.43 94.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.856 . . . . 0.0 110.051 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.789 HG21 HG22 ' A' ' 6' ' ' THR . 18.0 p -69.97 -45.5 67.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.771 -0.581 . . . . 0.0 110.989 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.04 -40.6 89.96 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.663 -0.648 . . . . 0.0 112.131 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -82.82 -34.67 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 112.085 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.41 -40.1 89.78 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.462 -1.399 . . . . 0.0 109.044 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 4' ' ' LEU . 34.0 m -75.7 -34.5 28.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.839 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.402 ' CD2' ' CD2' ' B' ' 16' ' ' HIS . 13.8 t80 -60.03 -54.93 40.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.945 -1.097 . . . . 0.0 111.079 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 16' ' ' HIS . . . . . 0.402 ' CD2' ' CD2' ' B' ' 15' ' ' PHE . 32.6 m170 -73.04 -23.88 60.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.558 -0.714 . . . . 0.0 112.31 -177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.73 -60.0 2.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.424 -1.423 . . . . 0.0 111.595 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -76.73 -38.33 54.43 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.432 -1.417 . . . . 0.0 112.244 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.4 p -62.37 -21.51 65.39 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.983 -1.073 . . . . 0.0 112.564 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.36 19.62 42.19 Favored Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? . . . . . 0 N--CA 1.489 1.502 0 O-C-N 120.819 -1.401 . . . . 0.0 109.228 179.736 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.508 2.435 0 CA-C-O 122.143 0.973 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -142.55 143.27 32.41 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' B' ' 28' ' ' LEU . 8.8 tp -91.83 154.23 19.04 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.915 -1.116 . . . . 0.0 108.19 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 48.3 t -129.49 163.7 25.34 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.315 -0.866 . . . . 0.0 109.68 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -51.67 -47.59 63.77 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.73 -34.81 64.94 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.942 -1.099 . . . . 0.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' B' ' 29' ' ' SER . 92.7 mt-10 -70.4 -31.7 69.02 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 110.372 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.68 ' O ' HD22 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -82.64 -32.81 28.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.405 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.46 -43.58 96.77 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 0.0 110.778 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.54 -27.88 31.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 111.247 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.73 -40.06 76.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.39 -0.819 . . . . 0.0 112.24 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.718 HD23 ' H ' ' B' ' 38' ' ' GLN . 1.1 pt? -84.05 -40.61 18.14 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.24 -0.913 . . . . 0.0 111.995 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.718 ' H ' HD23 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 110.108 -179.002 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.465 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.4 m -66.29 -42.87 87.76 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.151 -177.683 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.526 ' HB2' HD12 ' A' ' 4' ' ' LEU . 7.1 mt-10 -100.39 -19.75 16.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -122.07 74.0 1.13 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.151 -0.968 . . . . 0.0 108.927 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' B' ' 43' ' ' SER . 74.7 p -85.82 140.93 30.01 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.0 OUTLIER 73.89 -3.63 2.46 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.503 -0.748 . . . . 0.0 110.93 179.093 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -109.21 -61.52 1.61 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.434 HD21 HD21 ' B' ' 81' ' ' LEU . 1.9 mm? -102.89 137.58 40.91 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 15.8 p-10 -119.55 150.87 39.55 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.056 -1.028 . . . . 0.0 108.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.635 HG11 HD21 ' B' ' 37' ' ' LEU . 14.3 m -154.72 -38.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.519 ' N ' HG23 ' B' ' 47' ' ' VAL . 83.0 mt-30 -70.34 -52.75 20.39 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.214 -178.551 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' B' ' 50' ' ' ASP . 12.5 ptpt -68.63 -41.11 79.92 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.238 -0.914 . . . . 0.0 110.725 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' B' ' 49' ' ' LYS . 57.1 t0 -100.47 95.82 6.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.857 . . . . 0.0 110.083 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.61 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.933 . . . . 0.0 108.823 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.13 -36.72 78.12 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.289 -0.882 . . . . 0.0 108.633 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.424 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -66.33 -36.09 82.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.649 -0.657 . . . . 0.0 111.396 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.415 HG22 ' HB ' ' B' ' 47' ' ' VAL . 48.6 t -71.22 -55.27 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.696 -1.252 . . . . 0.0 111.696 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.18 -40.23 82.31 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.077 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.492 ' HZ2' ' CE ' ' D' ' 7' ' ' LYS . 0.7 OUTLIER -69.17 -40.03 78.37 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.03 -1.044 . . . . 0.0 111.484 -178.247 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -76.8 -54.69 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.195 -0.941 . . . . 0.0 110.548 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.486 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.72 -45.68 92.92 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.732 -0.605 . . . . 0.0 112.468 -177.267 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 59' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' B' ' 59' ' ' LYS . 8.9 mtmp? -65.67 -38.38 89.13 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.432 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -87.48 -16.19 35.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.086 -1.009 . . . . 0.0 109.14 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' B' ' 63' ' ' GLU . 43.8 tp -91.13 -18.71 24.07 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.598 ' O ' ' N ' ' B' ' 65' ' ' GLY . 43.8 t0 -91.23 46.71 1.33 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 173.791 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' B' ' 61' ' ' LEU . 52.2 tp10 -39.16 -19.9 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 110.901 -2.863 . . . . 0.0 110.524 -177.269 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 62' ' ' ASP . 18.8 t-20 -85.88 -0.03 54.33 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.405 -1.434 . . . . 0.0 108.229 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.38 37.76 93.65 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -100.3 -10.95 20.74 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.005 -1.291 . . . . 0.0 111.074 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 87.14 -9.94 70.67 Favored Glycine 0 N--CA 1.499 2.883 0 O-C-N 120.442 -1.411 . . . . 0.0 110.426 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.537 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 44.4 mt-10 -125.71 144.99 50.37 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.47 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 62.0 t -104.21 132.69 50.17 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 O-C-N 121.575 -0.703 . . . . 0.0 109.813 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 72' ' ' GLN . 94.6 m-20 -87.47 126.67 35.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.142 -0.974 . . . . 0.0 109.049 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 46.3 p90 -26.81 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.7 tt0 -60.03 -41.25 91.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.597 -1.314 . . . . 0.0 109.459 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 70' ' ' ASP . 96.3 mt-10 -69.01 -39.9 79.03 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.179 -0.951 . . . . 0.0 109.806 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.41 -40.18 95.68 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p -70.99 -33.45 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.15 -0.969 . . . . 0.0 110.882 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.48 -58.62 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.962 -1.086 . . . . 0.0 111.316 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.465 ' O ' HD22 ' B' ' 81' ' ' LEU . 6.2 tt -69.91 -43.07 72.46 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.94 -1.1 . . . . 0.0 113.238 -176.462 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.423 ' O ' HD23 ' B' ' 81' ' ' LEU . 54.6 t -60.83 -39.73 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.601 -1.312 . . . . 0.0 110.28 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.6 36.99 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 121.178 -0.952 . . . . 0.0 112.508 -178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.69 -59.8 3.05 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 119.77 -1.831 . . . . 0.0 108.855 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.551 HD23 ' H ' ' B' ' 82' ' ' THR . 1.4 pt? -58.59 -39.44 80.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.33 -0.856 . . . . 0.0 111.055 -177.435 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.551 ' H ' HD23 ' B' ' 81' ' ' LEU . 0.6 OUTLIER -61.7 -50.01 74.16 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.124 -177.709 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 82' ' ' THR . 18.4 m -73.91 -36.49 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.251 -1.531 . . . . 0.0 109.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.402 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -61.55 -32.51 72.58 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.803 -0.561 . . . . 0.0 110.721 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 99.6 m -69.96 -40.19 75.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 108.922 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.79 -40.0 90.97 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.478 -0.764 . . . . 0.0 110.163 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.387 -0.821 . . . . 0.0 111.035 -178.857 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 120.961 0.41 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -59.97 -54.65 43.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.827 -1.171 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.53 -50.01 75.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 110.037 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 3.7 mm? -60.04 -39.62 86.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.046 -1.033 . . . . 0.0 110.475 -179.693 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 120.952 0.406 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 7' ' ' LYS . . . . . 0.401 ' HZ1' ' HG3' ' B' ' 56' ' ' LYS . 47.1 tttt -60.06 -54.77 42.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.826 -1.171 . . . . 0.0 110.509 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.32 -50.04 75.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.627 -1.296 . . . . 0.0 110.105 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 9' ' ' LEU . . . . . 0.44 ' N ' HD22 ' D' ' 9' ' ' LEU . 3.7 mm? -59.96 -39.41 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.171 -0.956 . . . . 0.0 109.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.134 -0.979 . . . . 0.0 110.44 -179.692 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.506 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.8 mt-10 -60.32 -57.93 10.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.954 -1.091 . . . . 0.0 110.834 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.522 HD21 HG11 ' B' ' 14' ' ' VAL . 95.1 mt -60.0 -34.51 73.43 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.497 -1.377 . . . . 0.0 109.604 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -57.33 -41.03 79.22 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.08 -1.012 . . . . 0.0 108.492 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 30.2 p -71.58 -31.83 67.39 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.294 -0.878 . . . . 0.0 109.304 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.54 -57.13 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.671 -0.643 . . . . 0.0 110.942 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptm -59.98 -33.08 71.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.611 -1.306 . . . . 0.0 110.192 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.47 -40.04 92.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.2 -0.937 . . . . 0.0 110.246 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 p -68.59 -45.58 71.63 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.687 -0.633 . . . . 0.0 110.647 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 ' CD2' ' B' ' 4' ' ' LEU . 84.8 mt -61.12 -40.12 92.59 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 111.751 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.07 -39.56 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.94 -1.1 . . . . 0.0 112.625 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 3' ' ' GLU . 22.6 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.075 -1.64 . . . . 0.0 109.878 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG11 HD21 ' B' ' 4' ' ' LEU . 7.9 p -77.71 -34.35 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.892 -0.505 . . . . 0.0 110.542 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 46.8 t80 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.173 -0.954 . . . . 0.0 110.973 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -74.12 -21.69 59.77 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.79 -0.569 . . . . 0.0 110.789 -178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -60.55 2.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.126 . . . . 0.0 110.45 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -69.93 -40.03 75.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.447 -1.408 . . . . 0.0 110.705 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 p -68.97 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 111.263 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.79 11.58 66.24 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.146 -0.971 . . . . 0.0 110.923 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 120.709 -1.465 . . . . 0.0 109.028 179.203 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.4 t80 . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -138.69 137.85 37.2 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 tp -94.13 149.77 20.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.501 -1.374 . . . . 0.0 108.85 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 23.1 t -125.8 162.98 23.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.343 -0.848 . . . . 0.0 109.404 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -53.34 -47.97 68.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.157 -0.965 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.93 -29.0 64.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.97 -1.081 . . . . 0.0 110.005 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HB2' ' H ' ' A' ' 29' ' ' SER . 91.3 mt-10 -79.44 -35.15 40.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.01 -49.99 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.689 -0.632 . . . . 0.0 111.75 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -67.83 -35.18 78.13 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.763 -1.211 . . . . 0.0 111.581 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.26 -38.19 90.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.73 -1.231 . . . . 0.0 108.292 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 60.5 tp -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.445 HD21 ' CE2' ' A' ' 74' ' ' PHE . 86.7 mt -85.87 -33.69 21.2 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.477 -1.389 . . . . 0.0 113.566 -177.611 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.26 -20.86 63.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.249 -1.532 . . . . 0.0 110.226 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -74.89 -64.52 1.03 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.837 -0.54 . . . . 0.0 111.749 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 33.2 mp0 -89.95 -50.0 6.28 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.449 -1.407 . . . . 0.0 112.203 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.48 69.11 4.93 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.655 -1.278 . . . . 0.0 108.96 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -80.01 -22.08 42.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.784 -0.572 . . . . 0.0 111.416 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.2 p -110.24 6.34 22.49 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.116 -0.99 . . . . 0.0 111.56 -178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.22 -82.07 0.64 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.032 -1.043 . . . . 0.0 108.522 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.587 ' N ' HD22 ' A' ' 45' ' ' LEU . 2.8 mm? -70.02 139.87 52.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 47' ' ' VAL . 92.4 m-20 -128.47 156.55 43.06 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 122.21 1.005 . . . . 0.0 109.505 -179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.7 m -159.25 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.6 pt20 -82.12 -36.45 27.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.579 -0.701 . . . . 0.0 111.906 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -61.33 -39.81 91.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.743 -1.223 . . . . 0.0 109.804 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -124.67 113.62 18.25 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 121.604 0.716 . . . . 0.0 110.623 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.96 -25.87 63.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.95 -39.91 91.32 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.93 95.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.515 -0.74 . . . . 0.0 111.029 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 21.6 t -69.04 -54.71 18.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 112.697 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.79 -40.02 91.52 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 120.522 -1.361 . . . . 0.0 110.928 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -69.61 -39.99 76.88 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.364 -0.835 . . . . 0.0 111.309 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -82.2 -55.81 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.736 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.2 -42.49 95.19 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.753 -0.592 . . . . 0.0 111.7 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.9 -36.84 75.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.963 -1.086 . . . . 0.0 109.558 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -87.83 -18.07 30.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.078 -1.013 . . . . 0.0 109.419 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 57' ' ' ILE . 69.7 tp -83.33 -17.29 42.93 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.3 t0 -94.18 44.87 1.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 103.128 -2.916 . . . . 0.0 103.128 174.084 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.7 tt0 -37.9 -18.18 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 111.202 -2.726 . . . . 0.0 111.06 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 82.7 m-20 -86.71 0.06 55.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.534 -1.354 . . . . 0.0 108.088 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.98 36.45 90.31 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.741 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -99.4 -13.17 19.69 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.832 -1.393 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 88.64 -10.16 73.15 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.663 -1.273 . . . . 0.0 110.309 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 mt-10 -121.16 139.75 52.93 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -96.19 138.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 121.526 0.679 . . . . 0.0 109.178 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.556 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 41.8 t0 -95.04 117.82 30.81 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.2 p90 -24.65 -39.14 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 20.3 tm0? -59.99 -42.68 94.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.625 -1.297 . . . . 0.0 108.845 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 70' ' ' ASP . 99.4 mt-10 -64.14 -39.99 95.2 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.983 0.897 . . . . 0.0 109.223 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.445 ' CE2' HD21 ' A' ' 37' ' ' LEU . 25.2 t80 -60.08 -39.96 87.91 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.883 -0.511 . . . . 0.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -70.0 -33.24 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.726 -1.234 . . . . 0.0 111.458 -177.85 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.34 -60.33 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.682 -1.261 . . . . 0.0 111.817 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.09 -42.59 72.52 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.943 -1.098 . . . . 0.0 112.695 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.15 -41.24 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.9 -1.125 . . . . 0.0 111.424 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -74.46 -24.26 59.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.072 -1.017 . . . . 0.0 109.469 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.78 -52.16 47.37 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.54 -33.22 75.12 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.552 0.692 . . . . 0.0 110.042 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -53.93 52.03 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.503 -0.748 . . . . 0.0 111.417 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -80.18 -29.97 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.851 -1.155 . . . . 0.0 110.994 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.2 90.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.353 -0.842 . . . . 0.0 110.241 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.8 m -69.59 -40.05 76.92 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.29 -0.881 . . . . 0.0 109.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -60.01 -41.61 92.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.353 -0.842 . . . . 0.0 109.712 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.7 t30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.945 . . . . 0.0 109.98 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.8 mt-10 -60.38 -57.92 10.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.936 -1.103 . . . . 0.0 110.777 -177.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.506 HD21 HG11 ' A' ' 14' ' ' VAL . 96.1 mt -59.92 -35.01 73.98 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.518 -1.364 . . . . 0.0 109.623 -178.268 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.9 -41.15 77.57 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.05 -1.031 . . . . 0.0 108.518 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 30.7 p -71.56 -31.07 66.58 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.282 -0.886 . . . . 0.0 109.351 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.17 -56.66 18.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.695 -0.628 . . . . 0.0 110.94 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.7 ptm -60.06 -33.1 71.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.9 -1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.68 -39.82 91.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.237 -0.915 . . . . 0.0 110.144 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.403 ' O ' HG12 ' B' ' 14' ' ' VAL . 7.8 p -68.84 -45.74 70.34 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.437 0.637 . . . . 0.0 110.603 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.438 HD23 ' CD2' ' A' ' 4' ' ' LEU . 84.2 mt -60.65 -40.09 90.76 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.497 -0.752 . . . . 0.0 111.894 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -82.22 -40.01 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.785 -1.197 . . . . 0.0 112.538 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' OE2' ' A' ' 3' ' ' GLU . 22.9 t-20 -60.06 -40.96 91.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.221 -1.549 . . . . 0.0 109.769 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 4' ' ' LEU . 8.2 p -77.89 -34.24 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.912 -0.493 . . . . 0.0 110.585 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 47.4 t80 -59.97 -50.12 75.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.025 -1.047 . . . . 0.0 110.903 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -74.1 -21.64 59.81 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.894 -0.504 . . . . 0.0 110.721 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.16 -60.64 2.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.848 -1.157 . . . . 0.0 110.522 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -69.81 -40.07 76.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.375 -1.453 . . . . 0.0 110.637 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -68.96 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.35 -0.844 . . . . 0.0 111.328 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.05 11.81 65.72 Favored Glycine 0 N--CA 1.497 2.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.829 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt . . . . . 0 N--CA 1.492 1.665 0 O-C-N 120.75 -1.441 . . . . 0.0 109.024 178.907 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -138.54 137.91 37.5 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 28' ' ' LEU . 11.9 tp -94.12 149.99 20.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.556 -1.34 . . . . 0.0 108.862 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.3 t -126.07 162.35 25.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.384 -0.822 . . . . 0.0 109.393 -178.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -47.68 68.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.04 -1.037 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -71.23 -28.77 64.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.088 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.486 ' HB2' ' H ' ' B' ' 29' ' ' SER . 90.7 mt-10 -79.31 -35.41 41.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.95 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.861 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.64 -35.13 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.721 -1.237 . . . . 0.0 111.548 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.39 -38.32 90.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.702 -1.249 . . . . 0.0 108.312 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 63.2 tp -60.03 -39.97 87.75 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' B' ' 74' ' ' PHE . 85.1 mt -85.96 -33.2 21.19 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.672 -1.267 . . . . 0.0 113.613 -177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.79 -20.66 62.57 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.276 -1.515 . . . . 0.0 110.164 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 90.5 m -74.9 -64.53 1.03 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.839 -0.538 . . . . 0.0 111.629 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 33.4 mp0 -89.93 -49.89 6.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.551 -1.343 . . . . 0.0 112.328 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 69.27 4.7 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.61 -1.306 . . . . 0.0 108.924 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -80.07 -22.16 42.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.906 -0.496 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -110.23 6.51 22.66 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.124 -0.985 . . . . 0.0 111.55 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -124.49 -81.83 0.64 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.988 -1.07 . . . . 0.0 108.448 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.571 HD22 ' N ' ' B' ' 45' ' ' LEU . 2.9 mm? -70.17 140.0 52.47 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.484 ' O ' HG13 ' B' ' 47' ' ' VAL . 92.9 m-20 -128.79 156.96 42.75 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 122.221 1.01 . . . . 0.0 109.476 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.484 HG13 ' O ' ' B' ' 46' ' ' ASP . 16.1 m -159.88 -34.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.405 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.4 pt20 -81.99 -36.54 27.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.602 -0.686 . . . . 0.0 111.939 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -61.35 -39.7 91.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.68 -1.263 . . . . 0.0 109.856 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -124.65 113.43 18.01 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.636 0.731 . . . . 0.0 110.642 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -25.35 63.51 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -61.36 -39.64 91.38 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.39 90.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.592 -0.693 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 21.3 t -70.11 -54.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 112.727 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.46 -40.09 92.78 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 120.581 -1.325 . . . . 0.0 110.846 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' HZ1' ' D' ' 7' ' ' LYS . 65.8 mmtt -69.89 -39.86 75.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.312 -0.867 . . . . 0.0 111.363 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.7 mt -82.31 -55.74 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 110.762 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.01 -42.59 94.63 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.703 -0.623 . . . . 0.0 111.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -70.02 -36.94 75.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.963 -1.085 . . . . 0.0 109.412 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -87.64 -18.1 30.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.177 -0.952 . . . . 0.0 109.424 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' B' ' 57' ' ' ILE . 67.2 tp -83.37 -17.41 42.43 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.567 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 45.5 t0 -93.94 44.91 1.13 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 103.292 -2.855 . . . . 0.0 103.292 173.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.1 tt0 -37.99 -17.99 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 111.191 -2.731 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 82.7 m-20 -86.74 -0.09 55.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.481 -1.387 . . . . 0.0 107.994 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.08 33.76 85.36 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.849 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -97.54 -12.92 22.01 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.751 -1.441 . . . . 0.0 110.671 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.552 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 88.26 -10.21 72.09 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 120.703 -1.248 . . . . 0.0 110.411 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.567 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.9 mt-10 -120.79 141.12 50.81 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -96.86 138.63 21.41 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 121.468 -0.77 . . . . 0.0 109.072 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 41.9 t0 -94.86 118.05 31.14 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.481 -0.762 . . . . 0.0 109.16 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 55.0 p90 -24.9 -38.9 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.558 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 20.4 tm0? -59.98 -42.68 94.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.666 -1.271 . . . . 0.0 108.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.5 mt-10 -64.3 -40.03 95.12 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.941 0.877 . . . . 0.0 109.238 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.441 ' CE2' HD21 ' B' ' 37' ' ' LEU . 25.0 t80 -60.05 -39.89 87.5 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.02 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 0.8 OUTLIER -69.86 -33.3 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.708 -1.245 . . . . 0.0 111.469 -177.976 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.27 -60.49 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.683 -1.261 . . . . 0.0 111.847 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.06 -42.66 72.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 112.713 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.68 -41.55 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.932 -1.105 . . . . 0.0 111.47 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -74.53 -24.2 58.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.212 -0.93 . . . . 0.0 109.641 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.89 14.51 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.11 -33.76 72.56 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.378 0.609 . . . . 0.0 110.108 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -59.94 -54.01 51.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.342 -0.849 . . . . 0.0 111.416 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.11 -29.94 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.855 -1.153 . . . . 0.0 111.007 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.22 90.25 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.57 -39.89 77.08 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.275 -0.891 . . . . 0.0 109.149 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.07 -41.54 92.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.0 109.688 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.843 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.056 0.455 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.96 -50.04 75.3 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 111.179 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.98 -49.24 78.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.87 -1.144 . . . . 0.0 110.166 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' C' ' 9' ' ' LEU . 3.5 mm? -64.72 -40.83 96.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.914 -1.116 . . . . 0.0 109.057 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.074 -1.016 . . . . 0.0 109.589 179.487 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.107 0.48 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.176 -0.952 . . . . 0.0 111.089 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 110.062 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 9' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 3.8 mm? -64.7 -40.89 96.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.014 -1.054 . . . . 0.0 109.111 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.027 -1.045 . . . . 0.0 109.587 179.461 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' OG1' ' A' ' 6' ' ' THR . 57.4 mm-40 -60.42 -56.81 16.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.404 -0.81 . . . . 0.0 109.88 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.649 HD13 HD23 ' B' ' 11' ' ' LEU . 11.5 tp -57.42 -38.05 73.75 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.6 -1.312 . . . . 0.0 109.623 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.85 -44.09 73.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.242 -0.911 . . . . 0.0 109.183 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 29.3 p -68.79 -33.05 73.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.44 -0.787 . . . . 0.0 110.112 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.603 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -58.32 -42.64 87.22 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 108.962 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 82' ' ' THR . 1.5 mtp -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.917 -1.114 . . . . 0.0 110.63 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -63.76 -39.65 94.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.151 -0.968 . . . . 0.0 109.936 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.607 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 16.7 p -68.34 -47.02 68.6 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.555 -0.716 . . . . 0.0 112.059 -177.56 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD23 HD13 ' B' ' 4' ' ' LEU . 31.2 mt -60.0 -43.81 94.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.289 -0.882 . . . . 0.0 111.74 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.08 -35.5 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.956 -1.09 . . . . 0.0 112.252 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -60.04 -40.19 88.55 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 120.162 -1.586 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.17 -33.84 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.576 -0.703 . . . . 0.0 110.871 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.88 -50.04 75.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.169 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.32 -24.42 46.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.687 -0.633 . . . . 0.0 111.387 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.97 2.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.64 -1.288 . . . . 0.0 110.597 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.92 -39.89 87.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.828 -1.17 . . . . 0.0 111.0 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 21.9 t -61.2 -17.04 51.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 111.399 -178.191 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.61 17.22 10.29 Favored Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 N--CA 1.488 1.462 0 O-C-N 120.855 -1.379 . . . . 0.0 109.186 -179.255 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.6 p90 . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 121.993 0.901 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB2' ' HZ2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -139.19 141.78 37.94 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.678 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.01 150.52 20.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.969 -1.082 . . . . 0.0 110.52 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.527 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.1 p -125.87 164.08 21.53 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.677 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.12 -39.96 30.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.286 -1.366 . . . . 0.0 110.294 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 17.2 tptm -71.73 -32.0 67.3 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.936 -1.102 . . . . 0.0 112.243 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 29' ' ' SER . 27.0 mt-10 -73.04 -38.12 66.63 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.734 -1.229 . . . . 0.0 108.495 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.704 ' C ' HD23 ' A' ' 33' ' ' LEU . 2.5 tt -64.75 -44.1 91.19 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.052 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.643 ' N ' HD23 ' A' ' 33' ' ' LEU . 79.0 tttt -66.33 -40.34 89.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.044 -1.035 . . . . 0.0 112.104 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 31' ' ' LYS . 12.4 p-10 -77.14 -26.72 53.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.704 -1.247 . . . . 0.0 109.507 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.47 -40.09 85.3 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.539 -0.725 . . . . 0.0 112.547 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.94 -34.24 20.95 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.632 -1.293 . . . . 0.0 113.083 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -69.3 -21.0 63.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.613 -1.305 . . . . 0.0 109.747 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -80.08 -70.02 0.55 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.19 -53.97 7.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 112.928 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.96 57.54 2.8 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.637 -1.29 . . . . 0.0 108.423 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 m -69.99 -25.26 63.52 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.263 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 t -105.52 2.11 28.15 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.909 -1.119 . . . . 0.0 111.151 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -119.88 -80.01 0.61 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.268 -0.895 . . . . 0.0 109.101 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.5 mm? -77.23 130.46 37.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p-10 -112.32 155.79 23.52 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 48' ' ' GLN . 15.9 m -155.82 -37.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.506 ' N ' HG23 ' A' ' 47' ' ' VAL . 23.9 mt-30 -69.93 -53.35 18.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.773 -0.579 . . . . 0.0 112.169 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -69.88 -35.46 74.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 111.485 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 46' ' ' ASP . 89.8 m-20 -100.13 99.49 10.21 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.904 -1.122 . . . . 0.0 110.258 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.14 -37.47 75.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 93.6 m-20 -59.97 -33.23 71.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.378 -0.826 . . . . 0.0 108.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.57 77.12 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.688 -0.633 . . . . 0.0 110.993 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 53.3 t -69.35 -55.18 16.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.054 -1.029 . . . . 0.0 111.422 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 25.4 p-10 -65.43 -40.49 93.37 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.565 -1.334 . . . . 0.0 111.452 -177.362 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 3.7 ttpm? -70.03 -40.32 75.26 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.995 -1.066 . . . . 0.0 111.111 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -78.93 -55.49 9.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.47 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.08 -46.0 91.01 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.827 -0.546 . . . . 0.0 111.589 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -69.57 -38.26 77.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -84.92 -17.23 38.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.062 -1.024 . . . . 0.0 109.05 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 57' ' ' ILE . 7.2 tt -86.68 -14.43 42.6 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.648 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 8.3 t70 -94.5 46.73 1.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 173.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' A' ' 61' ' ' LEU . 46.9 tp10 -44.25 -21.42 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 110.447 -3.07 . . . . 0.0 110.845 -177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -85.67 -0.07 54.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.55 -1.344 . . . . 0.0 107.991 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 65.68 31.51 80.18 Favored Glycine 0 N--CA 1.493 2.465 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.408 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 4.4 p-10 -98.38 -11.5 22.38 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.719 -1.46 . . . . 0.0 109.96 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.648 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.06 0.16 88.37 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 46.7 mt-10 -124.74 141.45 52.1 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.8 t -97.04 134.38 35.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-O 122.052 0.93 . . . . 0.0 111.018 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 11.0 t70 -86.98 158.35 19.28 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.5 p90 -60.0 -38.08 81.57 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.1 -1.0 . . . . 0.0 110.305 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.552 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -65.18 -39.66 93.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.857 -1.152 . . . . 0.0 110.646 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.93 -39.94 79.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.39 -1.444 . . . . 0.0 110.154 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.21 -40.0 86.39 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.47 -0.769 . . . . 0.0 112.458 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.73 -31.91 47.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 120.767 -1.208 . . . . 0.0 111.088 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.73 -60.8 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.115 -0.99 . . . . 0.0 112.435 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD22 HD12 ' A' ' 61' ' ' LEU . 6.4 tp -70.17 -40.01 74.94 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.853 -1.155 . . . . 0.0 112.615 -176.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' O ' HG22 ' A' ' 82' ' ' THR . 22.9 t -68.52 -39.93 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.886 -1.134 . . . . 0.0 109.991 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.72 -23.72 61.67 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.78 64.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 111.352 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.76 -35.98 13.82 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.579 -1.326 . . . . 0.0 110.812 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -65.12 -44.34 89.04 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.622 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' B' ' 71' ' ' PHE . 16.0 t -75.61 -43.75 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 110.265 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.46 71.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.693 -0.63 . . . . 0.0 110.724 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -73.32 -42.78 61.95 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 111.189 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.22 -40.86 91.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 0.0 111.17 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.229 -179.324 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' B' ' 6' ' ' THR . 57.3 mm-40 -60.33 -56.87 16.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.437 -0.79 . . . . 0.0 109.861 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 11' ' ' LEU . 12.5 tp -57.98 -37.28 73.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.501 -1.374 . . . . 0.0 109.51 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.38 -43.58 75.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.146 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 28.6 p -69.33 -31.94 70.72 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.607 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.745 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 82' ' ' THR . 1.4 mtp -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.143 -0.973 . . . . 0.0 110.441 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 9' ' ' GLU . 0.8 OUTLIER -63.62 -39.63 94.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.087 -1.008 . . . . 0.0 109.942 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 16.8 p -68.22 -47.1 68.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.578 -0.701 . . . . 0.0 112.038 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.649 HD23 HD13 ' A' ' 4' ' ' LEU . 32.1 mt -59.96 -43.72 94.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.295 -0.878 . . . . 0.0 111.836 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mt -79.56 -36.48 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.06 -1.025 . . . . 0.0 112.034 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -59.87 -40.07 87.41 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.28 -1.513 . . . . 0.0 109.549 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.07 -33.78 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.719 . . . . 0.0 111.037 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.157 -0.965 . . . . 0.0 111.233 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -78.25 -24.17 47.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.587 -0.696 . . . . 0.0 111.445 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.0 -59.95 2.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.651 -1.28 . . . . 0.0 110.597 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -66.73 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.889 -1.132 . . . . 0.0 110.905 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 25.7 t -61.19 -16.99 50.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 111.486 -178.206 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.54 16.73 10.44 Favored Glycine 0 N--CA 1.501 2.969 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt . . . . . 0 N--CA 1.489 1.504 0 O-C-N 120.821 -1.4 . . . . 0.0 109.235 -179.289 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 p90 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 122.07 0.938 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.416 ' C ' HD22 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -139.24 141.87 37.85 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.1 mm? -97.17 150.15 21.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.027 -1.046 . . . . 0.0 110.539 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.516 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 89.9 p -125.27 164.24 20.77 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.06 -40.04 29.92 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.332 -1.347 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.439 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 17.5 tptm -72.29 -31.08 65.41 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.832 -1.167 . . . . 0.0 112.136 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' B' ' 29' ' ' SER . 26.4 mt-10 -73.53 -38.07 65.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.47 -1.394 . . . . 0.0 108.267 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' LEU . . . . . 0.704 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.5 tt -64.45 -44.52 90.87 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.18 -179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LYS . . . . . 0.63 ' N ' HD23 ' B' ' 33' ' ' LEU . 78.8 tttt -65.99 -40.41 91.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 112.214 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 31' ' ' LYS . 12.4 p-10 -77.12 -26.65 53.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.6 -40.11 84.78 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.528 -0.733 . . . . 0.0 112.562 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -85.81 -35.2 20.83 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.525 -1.359 . . . . 0.0 112.971 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.33 -21.19 64.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.748 -1.22 . . . . 0.0 109.764 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 59.0 m -79.97 -69.76 0.56 Allowed 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.282 0.563 . . . . 0.0 111.896 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.46 -54.0 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 0.0 112.931 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -93.07 57.65 2.78 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.652 -1.28 . . . . 0.0 108.338 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -70.13 -24.98 63.27 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.224 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -105.94 2.43 27.49 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.0 -1.063 . . . . 0.0 111.061 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.03 -79.96 0.61 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.277 -0.889 . . . . 0.0 109.051 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.48 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -77.29 130.61 37.41 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 33.5 p-10 -112.47 155.53 24.1 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.505 HG23 ' N ' ' B' ' 48' ' ' GLN . 15.9 m -155.81 -37.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.505 ' N ' HG23 ' B' ' 47' ' ' VAL . 24.5 mt-30 -70.07 -53.79 15.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.849 -0.532 . . . . 0.0 112.036 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -69.17 -35.9 76.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.799 -1.188 . . . . 0.0 111.514 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 50' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 90.0 m-20 -100.06 99.52 10.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.967 -1.083 . . . . 0.0 110.101 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -37.18 75.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.419 -0.8 . . . . 0.0 109.057 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 52' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 92.9 m-20 -60.09 -33.46 72.13 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.929 0.871 . . . . 0.0 108.885 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 53' ' ' ALA . . . . . 0.425 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -70.04 -37.05 75.47 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.673 -0.642 . . . . 0.0 111.499 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 56.9 t -71.3 -55.22 14.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 111.384 -178.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 25.2 p-10 -65.22 -40.75 94.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.575 -1.328 . . . . 0.0 111.355 -177.327 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 3.7 ttpm? -70.05 -40.58 75.01 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.984 -1.072 . . . . 0.0 111.096 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.0 mt -78.53 -55.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.231 -0.918 . . . . 0.0 110.509 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.05 -45.6 92.29 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.797 -0.564 . . . . 0.0 111.691 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.95 -37.97 76.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.852 -1.155 . . . . 0.0 110.04 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 56' ' ' LYS . 0.9 OUTLIER -85.02 -17.48 37.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.077 -1.014 . . . . 0.0 109.05 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' B' ' 57' ' ' ILE . 7.1 tt -86.61 -14.29 43.19 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.655 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 8.6 t70 -94.61 46.71 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 173.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' B' ' 61' ' ' LEU . 46.9 tp10 -44.27 -21.46 0.05 OUTLIER 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 110.485 -3.052 . . . . 0.0 110.861 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.69 -0.13 54.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.543 -1.348 . . . . 0.0 108.02 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.82 31.3 79.31 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.284 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.559 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 4.5 p-10 -97.95 -11.97 22.52 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.711 -1.464 . . . . 0.0 109.889 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.655 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.36 0.05 88.48 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 46.4 mt-10 -124.38 141.99 51.64 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.11 134.74 33.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 122.171 0.986 . . . . 0.0 110.997 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.469 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 11.0 t70 -87.22 158.41 19.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.4 p90 -60.05 -38.37 82.62 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.37 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -64.97 -39.61 93.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.834 -1.166 . . . . 0.0 110.63 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -68.96 -40.02 79.16 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.376 -1.452 . . . . 0.0 110.162 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 29.8 t80 -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.537 -0.727 . . . . 0.0 112.446 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.2 p -70.65 -32.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 120.86 -1.15 . . . . 0.0 111.098 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.39 -60.99 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.987 -1.071 . . . . 0.0 112.488 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 77' ' ' LEU . . . . . 0.416 HD22 HD12 ' B' ' 61' ' ' LEU . 6.8 tp -70.18 -40.05 74.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.897 -1.127 . . . . 0.0 112.487 -176.678 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 82' ' ' THR . 23.7 t -68.26 -40.01 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.801 -1.187 . . . . 0.0 110.038 -178.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.26 61.89 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.55 62.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.09 -36.28 11.58 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.673 -1.267 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -65.08 -44.32 89.26 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 118.064 -1.455 . . . . 0.0 109.634 -178.868 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' A' ' 71' ' ' PHE . 18.2 t -75.65 -43.96 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.944 -1.097 . . . . 0.0 110.283 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.38 71.71 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.655 -0.653 . . . . 0.0 110.792 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.443 -0.786 . . . . 0.0 111.121 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -60.12 -40.86 91.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 0.0 111.26 -178.053 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 110.311 -179.369 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 120.954 0.407 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -59.82 -49.81 76.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.77 -1.206 . . . . 0.0 110.033 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' LEU . . . . . 0.605 HD22 HD11 ' A' ' 57' ' ' ILE . 59.7 tp -67.64 -51.19 52.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.739 -1.225 . . . . 0.0 109.998 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 9' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 1.0 OUTLIER -61.05 -40.21 92.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.149 -0.969 . . . . 0.0 110.12 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.491 1.602 0 O-C-N 120.912 -1.118 . . . . 0.0 109.879 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.945 0.403 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -59.95 -49.35 78.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.779 -1.201 . . . . 0.0 110.101 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 8' ' ' LEU . . . . . 0.534 HD22 HD11 ' B' ' 57' ' ' ILE . 60.0 tp -67.94 -50.71 54.41 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.755 -1.216 . . . . 0.0 109.894 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 1.4 mm? -61.13 -40.58 94.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 110.016 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 N--CA 1.49 1.55 0 O-C-N 120.956 -1.09 . . . . 0.0 109.808 -179.778 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.497 1.915 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 6' ' ' THR . 72.6 mm-40 -69.34 -51.12 40.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.297 -0.877 . . . . 0.0 109.789 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.487 HD13 HD23 ' B' ' 11' ' ' LEU . 11.1 tp -59.26 -39.88 84.23 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.191 -0.943 . . . . 0.0 109.726 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.46 -49.53 64.46 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 122.252 1.025 . . . . 0.0 109.036 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 42.4 p -63.4 -34.25 77.31 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 121.661 -0.649 . . . . 0.0 110.518 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -49.36 -51.44 34.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 110.034 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.0 ttt -59.98 -40.15 88.15 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.804 -1.185 . . . . 0.0 109.313 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.33 -40.97 92.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.253 -0.905 . . . . 0.0 112.065 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.47 ' OG1' ' C ' ' B' ' 3' ' ' GLU . 0.0 OUTLIER -72.74 -43.08 63.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.855 -1.153 . . . . 0.0 111.093 -177.81 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.49 HD23 HD13 ' B' ' 4' ' ' LEU . 88.4 mt -56.52 -41.27 76.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.534 -0.729 . . . . 0.0 109.86 -178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.4 mt -78.94 -27.15 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.454 -0.779 . . . . 0.0 111.649 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.5 -40.18 95.9 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.241 -1.537 . . . . 0.0 109.443 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.46 -33.27 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 120.361 -0.535 . . . . 0.0 111.607 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -54.79 41.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 110.633 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -73.78 -23.12 59.67 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.852 -0.53 . . . . 0.0 111.32 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.17 -61.64 1.83 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.462 -1.398 . . . . 0.0 111.514 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.614 -1.304 . . . . 0.0 112.118 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.631 ' OG ' HD11 ' A' ' 28' ' ' LEU . 57.7 m -57.72 -20.88 37.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 111.578 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.32 20.88 15.71 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 120.748 -1.443 . . . . 0.0 108.406 179.371 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 121.909 0.861 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' C ' HD22 ' A' ' 28' ' ' LEU . 31.3 tptt -139.38 139.44 37.18 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.631 HD11 ' OG ' ' A' ' 19' ' ' SER . 3.2 mm? -97.79 152.59 19.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.499 -1.375 . . . . 0.0 109.866 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.527 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.7 p -130.9 163.18 28.02 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' SER . 62.6 tttt -47.1 -39.91 14.21 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.938 -1.102 . . . . 0.0 109.706 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -70.06 -38.81 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.425 -0.797 . . . . 0.0 111.84 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 29' ' ' SER . 31.8 mt-10 -70.12 -38.3 75.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.917 -1.114 . . . . 0.0 108.433 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.12 -50.87 71.97 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -69.16 -35.18 76.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.741 -1.224 . . . . 0.0 112.522 -176.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.29 -35.91 71.48 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.31 -1.494 . . . . 0.0 108.621 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 tp -65.96 -40.09 90.98 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.804 -0.56 . . . . 0.0 112.116 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.527 HD21 ' CE1' ' A' ' 74' ' ' PHE . 94.0 mt -85.02 -39.86 17.54 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.504 -1.373 . . . . 0.0 113.11 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.3 pp0? -63.9 -38.83 92.53 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.803 -1.185 . . . . 0.0 110.169 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 95.6 m -72.43 -49.66 31.93 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.408 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 22.4 mp0 -82.21 -52.02 7.37 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.173 -0.954 . . . . 0.0 111.278 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -102.63 77.81 1.64 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 m -86.24 -21.9 27.16 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.0 t -117.31 2.51 12.53 Favored 'General case' 0 N--CA 1.512 2.638 0 O-C-N 120.627 -1.296 . . . . 0.0 112.52 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -120.05 -45.5 2.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.826 -1.171 . . . . 0.0 109.555 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 137.65 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -122.85 157.35 32.69 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.886 -1.134 . . . . 0.0 110.292 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 30.8 m -156.53 -36.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.8 pt20 -88.11 -29.46 20.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.905 -1.122 . . . . 0.0 110.893 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.34 -40.0 92.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.818 -1.176 . . . . 0.0 108.969 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -123.55 113.25 18.47 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.261 0.553 . . . . 0.0 110.371 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.58 77.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.063 -1.023 . . . . 0.0 108.636 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -60.67 -36.74 79.47 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.49 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.918 -1.114 . . . . 0.0 110.396 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 32.9 t -69.82 -57.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.371 -0.831 . . . . 0.0 111.936 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 t0 -60.11 -42.54 94.92 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 120.581 -1.325 . . . . 0.0 111.579 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -70.14 -37.34 75.25 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.038 -1.038 . . . . 0.0 111.592 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.605 HD11 HD22 ' C' ' 8' ' ' LEU . 82.2 mt -81.08 -53.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.809 -1.182 . . . . 0.0 110.748 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.94 -49.19 78.66 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.78 -0.575 . . . . 0.0 111.475 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.28 -39.94 93.23 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.905 -1.122 . . . . 0.0 110.439 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -86.55 -16.9 35.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.822 -1.174 . . . . 0.0 109.54 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' A' ' 63' ' ' GLU . 59.7 tp -83.47 -22.12 32.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.612 ' O ' ' N ' ' A' ' 65' ' ' GLY . 39.0 t0 -87.88 47.54 1.52 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 173.815 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.568 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.8 tt0 -39.19 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 111.516 -2.583 . . . . 0.0 110.547 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.6 m-20 -86.73 0.76 54.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.737 -1.227 . . . . 0.0 108.189 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.612 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.5 37.35 92.0 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.916 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.483 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.7 p30 -104.15 -8.59 19.32 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.94 -1.33 . . . . 0.0 110.607 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLY . . . . . 0.551 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.59 -10.44 55.87 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 120.668 -1.27 . . . . 0.0 110.618 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 95.5 mt-10 -116.01 145.21 43.16 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.5 t -103.83 130.46 54.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.216 -0.928 . . . . 0.0 110.406 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -80.99 160.12 24.68 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 52.9 p90 -59.97 -38.85 83.71 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.97 -1.081 . . . . 0.0 110.023 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.497 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.0 tt0 -63.55 -40.18 96.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.012 -1.055 . . . . 0.0 111.379 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -68.55 -39.77 80.94 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.581 -1.324 . . . . 0.0 110.462 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.738 ' O ' HG22 ' A' ' 78' ' ' VAL . 37.9 t80 -63.77 -52.89 58.32 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.59 -0.694 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -33.89 54.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.839 -0.538 . . . . 0.0 111.826 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.9 -59.12 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.043 -1.035 . . . . 0.0 112.206 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.61 -39.91 80.63 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.648 -1.282 . . . . 0.0 112.845 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 74' ' ' PHE . 21.4 m -65.02 -39.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.885 -1.135 . . . . 0.0 111.3 -177.415 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ALA . . . . . 0.549 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -76.07 -24.98 55.11 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.417 -0.802 . . . . 0.0 109.86 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.81 65.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.856 -1.152 . . . . 0.0 109.896 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.442 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 56.5 mt -88.19 -36.14 16.97 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.043 . . . . 0.0 110.191 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.3 t -66.07 -48.42 71.07 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.858 -1.151 . . . . 0.0 109.804 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.477 ' N ' HG23 ' A' ' 82' ' ' THR . 46.1 t -70.53 -41.59 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.768 -1.207 . . . . 0.0 109.905 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.31 -31.01 71.56 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.381 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.7 m -63.89 -40.12 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.224 -0.922 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 16.7 m120 -70.0 -30.25 67.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.47 -0.769 . . . . 0.0 109.602 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.7 . . . . 0.0 111.027 -178.572 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.47 ' C ' ' OG1' ' A' ' 10' ' ' THR . 72.4 mm-40 -69.25 -51.25 39.44 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.323 -0.861 . . . . 0.0 109.612 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.49 HD13 HD23 ' A' ' 11' ' ' LEU . 12.9 tp -59.57 -39.62 84.67 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.77 -177.464 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.74 -49.04 66.24 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 122.295 1.045 . . . . 0.0 109.015 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 41.8 p -63.77 -32.61 74.17 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.63 -0.669 . . . . 0.0 110.447 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.04 61.43 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.683 0.754 . . . . 0.0 109.992 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.09 -40.1 88.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.921 -1.112 . . . . 0.0 108.938 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.06 -41.82 93.2 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.315 -0.866 . . . . 0.0 111.879 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.478 ' OG1' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -72.33 -43.45 64.11 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.889 -1.132 . . . . 0.0 111.171 -177.854 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.487 HD23 HD13 ' A' ' 4' ' ' LEU . 88.2 mt -56.06 -41.06 74.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.609 -0.682 . . . . 0.0 110.119 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.2 mt -78.38 -29.67 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 0.0 111.233 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.34 -40.02 89.18 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 120.486 -1.384 . . . . 0.0 109.521 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 m -84.98 -33.46 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.692 -0.63 . . . . 0.0 111.361 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -54.57 44.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 110.522 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.9 -22.61 59.64 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -61.8 1.79 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.454 -1.404 . . . . 0.0 111.409 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.98 -39.93 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.62 -1.3 . . . . 0.0 112.074 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.623 ' OG ' HD11 ' B' ' 28' ' ' LEU . 60.1 m -57.82 -20.35 35.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.992 . . . . 0.0 111.582 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.42 20.52 15.83 Favored Glycine 0 N--CA 1.5 2.915 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 120.697 -1.472 . . . . 0.0 108.442 179.504 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.941 0.877 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 27' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 31.6 tptt -139.47 139.77 37.09 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 176.705 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.623 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.3 mm? -98.24 152.33 19.52 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.542 -1.349 . . . . 0.0 109.864 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.521 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 79.3 p -130.39 163.6 26.55 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -47.69 -40.17 19.39 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 109.713 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -70.04 -38.05 75.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.855 . . . . 0.0 112.008 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.521 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.0 mt-10 -70.21 -38.76 75.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.82 -1.175 . . . . 0.0 108.473 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.99 -51.06 71.29 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -68.82 -35.52 77.09 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.644 -1.285 . . . . 0.0 112.607 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -71.0 -35.54 72.11 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.342 -1.474 . . . . 0.0 108.888 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 56.4 tp -66.34 -40.06 89.61 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.783 -0.573 . . . . 0.0 112.104 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' B' ' 74' ' ' PHE . 95.9 mt -84.8 -40.21 17.47 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.601 -1.312 . . . . 0.0 113.081 -177.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.483 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.3 pp0? -63.72 -38.59 91.66 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 110.238 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.483 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.4 m -72.67 -50.0 27.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.243 -177.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 22.8 mp0 -81.91 -52.01 7.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.129 -0.982 . . . . 0.0 111.3 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.6 77.8 1.65 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.164 -0.96 . . . . 0.0 108.912 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -86.14 -21.73 27.43 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -118.1 3.22 12.08 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.748 -1.22 . . . . 0.0 112.392 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -120.38 -45.17 2.44 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.778 -1.201 . . . . 0.0 109.582 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.14 137.7 47.53 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -123.09 156.76 34.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.746 -1.221 . . . . 0.0 110.224 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.531 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 29.1 m -155.87 -36.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.469 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.5 pt20 -88.39 -29.41 20.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.92 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.62 -39.97 93.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.799 -1.188 . . . . 0.0 108.869 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -123.35 113.32 18.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.252 0.549 . . . . 0.0 110.295 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.05 75.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.077 -1.015 . . . . 0.0 108.63 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -61.09 -36.33 79.38 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.3 79.56 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.914 -1.116 . . . . 0.0 110.75 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 25.8 t -71.75 -57.63 6.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.153 -0.967 . . . . 0.0 111.823 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -60.26 -42.49 95.48 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.663 -1.273 . . . . 0.0 111.438 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -70.27 -37.05 74.79 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.153 -0.967 . . . . 0.0 111.774 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.534 HD11 HD22 ' D' ' 8' ' ' LEU . 81.6 mt -81.16 -53.91 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.675 -1.266 . . . . 0.0 110.704 -177.389 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.93 -48.8 80.2 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.675 -0.641 . . . . 0.0 111.483 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -65.9 -39.6 90.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.961 -1.087 . . . . 0.0 110.429 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.63 -17.05 34.82 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.822 -1.174 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.567 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.8 tp -83.36 -21.98 32.94 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.571 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 38.8 t0 -88.27 47.88 1.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.567 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.9 tt0 -39.52 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 111.222 -2.717 . . . . 0.0 110.544 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' B' ' 62' ' ' ASP . 87.5 m-20 -86.77 0.74 54.19 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.732 -1.23 . . . . 0.0 108.203 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.87 36.21 89.3 Favored Glycine 0 N--CA 1.496 2.658 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.061 177.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.7 p30 -103.08 -8.48 20.5 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.994 -1.298 . . . . 0.0 110.557 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 67' ' ' GLY . . . . . 0.555 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.15 -10.05 55.11 Favored Glycine 0 N--CA 1.496 2.675 0 O-C-N 120.672 -1.268 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.571 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 95.0 mt-10 -116.42 144.25 44.54 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -101.9 130.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 O-C-N 121.231 -0.918 . . . . 0.0 110.704 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 94.9 m-20 -81.27 160.11 24.32 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.2 p90 -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 110.06 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.487 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -63.52 -40.21 96.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.026 -1.046 . . . . 0.0 111.473 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -68.41 -40.05 81.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.6 -1.313 . . . . 0.0 110.343 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.714 ' O ' HG22 ' B' ' 78' ' ' VAL . 36.2 t80 -63.83 -52.54 59.67 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.574 -0.704 . . . . 0.0 112.466 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.01 -34.58 56.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.694 -0.629 . . . . 0.0 111.641 -177.332 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.48 -59.44 3.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 120.968 -1.083 . . . . 0.0 112.238 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.07 -40.09 82.81 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.664 -1.272 . . . . 0.0 112.927 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 78' ' ' VAL . . . . . 0.714 HG22 ' O ' ' B' ' 74' ' ' PHE . 18.6 m -65.54 -38.24 81.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 120.84 -1.162 . . . . 0.0 111.458 -177.342 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 79' ' ' ALA . . . . . 0.526 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -76.69 -25.19 53.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.303 -0.873 . . . . 0.0 109.839 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.78 -1.2 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.474 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 63.2 mt -94.02 -35.44 12.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.913 -1.117 . . . . 0.0 109.354 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.463 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.2 t -66.46 -48.09 71.02 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.609 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.463 ' N ' HG23 ' B' ' 82' ' ' THR . 46.3 t -71.05 -41.68 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.832 -1.167 . . . . 0.0 109.919 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.26 71.72 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.385 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 57.1 m -63.61 -40.11 96.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.917 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 17.6 m120 -70.01 -30.38 67.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.609 179.565 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.638 -0.664 . . . . 0.0 110.927 -178.45 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.9 m170 . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.795 0.331 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -64.5 -49.03 72.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.85 -1.156 . . . . 0.0 110.196 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 56.3 tp -70.06 -42.78 72.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.365 -0.835 . . . . 0.0 110.957 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.74 -39.99 84.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.997 -1.065 . . . . 0.0 109.13 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 0.0 109.326 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 49.4 m170 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.846 0.355 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.4 -49.21 72.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.767 -1.208 . . . . 0.0 110.134 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.04 -42.77 72.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.392 -0.818 . . . . 0.0 110.856 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.64 -39.94 84.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.998 -1.063 . . . . 0.0 109.189 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 179.865 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 6' ' ' THR . 68.5 mm-40 -63.87 -57.54 9.51 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.05 -1.031 . . . . 0.0 111.109 -178.262 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.406 ' CD1' HD23 ' B' ' 11' ' ' LEU . 17.6 tp -59.92 -34.22 72.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.19 -0.944 . . . . 0.0 109.606 -178.109 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.93 -44.47 94.32 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.895 0.855 . . . . 0.0 108.809 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 26.7 p -67.49 -30.41 70.09 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.521 -0.737 . . . . 0.0 109.28 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -55.09 -47.74 74.53 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.556 -0.715 . . . . 0.0 109.503 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 8' ' ' MET . . . . . 0.454 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 27.9 ttt -59.96 -39.95 87.37 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.968 -1.082 . . . . 0.0 108.97 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.93 -39.97 93.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.426 -0.796 . . . . 0.0 110.563 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 14.9 p -67.69 -44.86 76.77 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.483 -0.76 . . . . 0.0 111.212 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' B' ' 4' ' ' LEU . 89.8 mt -59.91 -40.06 87.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 110.379 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.79 -30.68 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.341 -0.849 . . . . 0.0 112.636 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -65.21 -39.92 93.45 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.95 -1.719 . . . . 0.0 108.799 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 15' ' ' PHE . 24.2 m -78.05 -38.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.134 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PHE . . . . . 0.438 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.3 t80 -60.06 -49.49 77.44 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.167 -0.958 . . . . 0.0 110.658 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -76.46 -24.62 53.87 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.472 -0.768 . . . . 0.0 111.742 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.19 -63.7 1.36 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.399 -1.438 . . . . 0.0 110.896 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.535 -1.353 . . . . 0.0 110.169 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.458 ' OG ' HD21 ' A' ' 28' ' ' LEU . 17.0 m -66.24 -7.81 20.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.492 -0.755 . . . . 0.0 110.901 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.0 15.21 60.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.264 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -141.56 148.05 38.69 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 121.161 1.801 . . . . 0.0 110.169 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.7 mm? -96.09 165.01 12.45 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.931 0.872 . . . . 0.0 110.662 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.479 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 98.8 p -127.4 160.49 31.26 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -49.46 -40.64 37.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.801 -1.187 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 18.4 tptm -70.64 -30.4 67.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.2 -0.938 . . . . 0.0 111.192 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HB2' ' H ' ' A' ' 29' ' ' SER . 94.3 mt-10 -77.19 -35.36 55.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.73 -1.232 . . . . 0.0 108.887 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.99 -43.96 94.13 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.65 -0.656 . . . . 0.0 110.981 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.21 -42.49 93.46 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -0.88 . . . . 0.0 112.453 -177.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 12.2 p-10 -75.36 -27.38 59.13 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 109.612 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.1 -40.09 94.08 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.54 -0.725 . . . . 0.0 112.226 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 mt -86.28 -35.09 20.15 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.646 -1.284 . . . . 0.0 113.218 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.19 -36.89 77.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.418 -1.426 . . . . 0.0 110.569 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.9 m -72.43 -49.91 30.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.654 -0.654 . . . . 0.0 112.077 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -86.02 -47.88 9.18 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.01 -1.056 . . . . 0.0 111.001 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -105.38 70.83 0.9 Allowed 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.6 p -80.02 -23.55 41.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.792 -0.568 . . . . 0.0 112.323 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -105.75 4.16 29.64 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.872 -1.142 . . . . 0.0 111.897 -177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -125.57 -66.67 0.93 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.892 -1.13 . . . . 0.0 109.902 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.5 mm? -83.64 134.53 34.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.183 -0.948 . . . . 0.0 108.775 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -115.5 150.05 37.13 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.719 ' H ' ' NZ ' ' A' ' 49' ' ' LYS . 2.8 m -151.52 -36.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLN . . . . . 0.647 ' H ' ' NZ ' ' A' ' 49' ' ' LYS . 39.0 mt-30 -77.87 -51.81 9.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.873 -0.517 . . . . 0.0 111.86 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LYS . . . . . 0.719 ' NZ ' ' H ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -67.76 -39.97 84.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.667 -1.271 . . . . 0.0 109.88 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -100.09 94.54 6.3 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.129 -0.982 . . . . 0.0 109.987 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.0 75.39 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.01 -40.08 88.01 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.9 -54.54 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.859 . . . . 0.0 112.043 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 61.4 t0 -60.08 -40.04 88.17 Favored 'General case' 0 C--N 1.288 -2.084 0 O-C-N 120.402 -1.436 . . . . 0.0 110.766 -177.363 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 6.0 mptp? -70.23 -36.23 74.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.089 -1.007 . . . . 0.0 111.938 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 1.3 pp -82.37 -53.36 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 119.974 -1.704 . . . . 0.0 109.654 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.45 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.6 tmt? -59.93 -48.24 82.51 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.354 -0.841 . . . . 0.0 112.317 -176.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.74 -40.01 84.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.471 -1.393 . . . . 0.0 110.766 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 25.0 mp0 -89.51 -16.9 29.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.796 -1.19 . . . . 0.0 110.494 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.2 tp -78.73 -18.27 54.52 Favored 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' A' ' 64' ' ' ASN . 11.4 m-20 -91.27 40.32 1.03 Allowed 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 174.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 61' ' ' LEU . 83.0 tt0 -39.11 -19.74 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 112.167 -2.288 . . . . 0.0 110.505 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 62' ' ' ASP . 96.9 m-20 -87.59 -5.35 58.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.669 -1.269 . . . . 0.0 108.669 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 84.24 33.15 21.09 Favored Glycine 0 N--CA 1.482 1.718 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.637 ' C ' ' H ' ' A' ' 68' ' ' GLU . 65.7 m-20 -106.31 115.94 31.08 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.74 9.02 0.46 Allowed Glycine 0 C--N 1.281 -2.495 0 C-N-CA 117.642 -2.218 . . . . 0.0 109.035 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.637 ' H ' ' C ' ' A' ' 66' ' ' ASP . 36.8 mp0 -120.07 139.98 51.71 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.05 130.01 51.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 122.209 1.004 . . . . 0.0 111.339 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -79.92 162.39 25.0 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 47.0 p90 -60.02 -39.35 85.57 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.098 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.465 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 61.1 tt0 -66.42 -40.0 89.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 0.0 110.281 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.39 -40.12 74.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.712 -1.242 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -70.49 -39.68 74.05 Favored 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.252 -0.905 . . . . 0.0 111.797 -178.226 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 10.5 p -69.83 -33.62 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.254 -0.904 . . . . 0.0 111.004 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.3 t -68.93 -59.43 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.908 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.71 -50.71 48.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.872 -1.143 . . . . 0.0 112.355 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -60.1 -39.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.844 -1.16 . . . . 0.0 110.897 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.63 27.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.4 mt -63.84 -25.87 68.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.407 -0.808 . . . . 0.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.471 ' CG2' ' SD ' ' B' ' 8' ' ' MET . 86.9 m -63.04 -55.34 26.44 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.598 -0.689 . . . . 0.0 110.932 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -80.45 -37.87 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.009 -1.057 . . . . 0.0 110.824 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' ' 87' ' ' ASN . . . -59.93 -39.78 86.69 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.435 0.636 . . . . 0.0 110.307 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 91.3 m -70.31 -39.97 74.49 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.1 -50.06 75.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.14 -0.975 . . . . 0.0 111.763 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 20.3 p-10 . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.93 -1.106 . . . . 0.0 110.449 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' B' ' 6' ' ' THR . 67.7 mm-40 -63.45 -57.64 9.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.971 -1.08 . . . . 0.0 111.163 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.425 ' CD1' HD23 ' A' ' 11' ' ' LEU . 19.0 tp -59.99 -34.31 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.64 -44.78 93.39 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.96 0.886 . . . . 0.0 108.96 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.3 p -67.34 -28.99 68.43 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.468 -0.77 . . . . 0.0 109.233 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -57.12 -46.51 82.58 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.36 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 8' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 82' ' ' THR . 28.0 ttt -60.09 -39.74 87.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.97 -40.07 94.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.369 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.5 p -67.93 -44.63 76.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.246 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 4' ' ' LEU . 87.6 mt -59.95 -40.08 87.75 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.266 -0.896 . . . . 0.0 110.41 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.56 -34.42 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.441 -0.787 . . . . 0.0 112.134 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -62.13 -39.94 94.25 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 120.174 -1.579 . . . . 0.0 108.913 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.425 HG23 ' N ' ' B' ' 15' ' ' PHE . 24.0 m -78.88 -37.59 20.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.133 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' N ' HG23 ' B' ' 14' ' ' VAL . 64.9 t80 -60.0 -49.65 76.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.945 . . . . 0.0 110.608 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -76.54 -24.53 53.64 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.69 . . . . 0.0 111.62 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.94 1.3 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.422 -1.424 . . . . 0.0 110.863 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -60.06 -39.92 87.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.63 -1.293 . . . . 0.0 110.143 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' HD21 ' B' ' 28' ' ' LEU . 18.7 m -66.12 -7.97 20.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.498 -0.751 . . . . 0.0 110.987 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.01 15.29 60.76 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.272 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -141.46 148.16 39.04 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 119.871 -1.768 . . . . 0.0 110.131 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LEU . . . . . 0.475 HD21 ' OG ' ' B' ' 19' ' ' SER . 1.7 mm? -96.28 164.72 12.54 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.989 0.899 . . . . 0.0 110.661 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 95.6 p -127.04 160.61 30.61 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -49.69 -40.32 39.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.78 -1.2 . . . . 0.0 110.346 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.419 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 19.1 tptm -71.1 -29.98 65.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.044 -1.035 . . . . 0.0 111.254 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.489 ' HB2' ' H ' ' B' ' 29' ' ' SER . 94.1 mt-10 -77.4 -34.94 54.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.636 -1.29 . . . . 0.0 108.851 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.47 -43.63 93.6 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.686 -0.634 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.47 -42.16 92.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.213 -0.929 . . . . 0.0 112.545 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 12.2 p-10 -75.49 -27.49 58.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.579 -1.326 . . . . 0.0 109.542 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.03 -40.0 94.2 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.541 -0.724 . . . . 0.0 112.163 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -86.12 -35.96 19.88 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.615 -1.303 . . . . 0.0 113.17 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -68.27 -37.11 80.38 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.543 -1.348 . . . . 0.0 110.57 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -72.48 -49.97 29.31 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.629 -0.669 . . . . 0.0 112.28 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -86.05 -47.68 9.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.058 -1.027 . . . . 0.0 110.91 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -105.53 70.78 0.89 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -80.06 -23.34 41.44 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -105.75 3.87 29.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.91 -1.119 . . . . 0.0 111.927 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.45 -66.5 0.95 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.995 -1.066 . . . . 0.0 109.929 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.6 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.5 mm? -83.7 134.45 34.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.142 -0.974 . . . . 0.0 108.707 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -115.46 150.01 37.16 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.709 ' H ' ' NZ ' ' B' ' 49' ' ' LYS . 2.8 m -151.54 -36.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 48' ' ' GLN . . . . . 0.64 ' H ' ' NZ ' ' B' ' 49' ' ' LYS . 39.6 mt-30 -77.86 -51.59 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.787 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 49' ' ' LYS . . . . . 0.709 ' NZ ' ' H ' ' B' ' 47' ' ' VAL . 0.0 OUTLIER -67.81 -40.1 83.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.726 -1.234 . . . . 0.0 109.851 -179.196 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -99.95 94.58 6.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.181 -0.95 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -36.79 74.96 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.35 -39.97 89.05 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.85 81.04 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.381 -0.824 . . . . 0.0 110.97 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.04 -54.33 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 111.786 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 61.5 t0 -59.98 -40.07 87.83 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.512 -1.367 . . . . 0.0 110.745 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.447 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 5.9 mptp? -70.25 -36.58 74.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 0.0 111.779 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.4 pp -82.05 -53.4 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 119.969 -1.707 . . . . 0.0 109.698 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 58' ' ' MET . . . . . 0.468 ' N ' HD12 ' B' ' 57' ' ' ILE . 1.6 tmt? -60.06 -48.16 82.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.251 -0.906 . . . . 0.0 112.255 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -67.63 -39.99 84.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.458 -1.401 . . . . 0.0 110.767 -178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 60' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 25.2 mp0 -89.6 -16.91 29.51 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.708 -1.245 . . . . 0.0 110.485 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' B' ' 57' ' ' ILE . 69.4 tp -78.6 -18.45 54.55 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 105.901 -1.888 . . . . 0.0 105.901 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 64' ' ' ASN . 11.3 m-20 -91.06 40.0 1.01 Allowed 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 174.715 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' B' ' 61' ' ' LEU . 80.2 tt0 -38.9 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 62' ' ' ASP . 96.6 m-20 -87.53 -5.53 58.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.62 -1.3 . . . . 0.0 108.724 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.38 31.08 23.15 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.706 -1.357 . . . . 0.0 109.706 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.62 ' C ' ' H ' ' B' ' 68' ' ' GLU . 66.4 m-20 -104.76 116.08 31.42 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.04 9.25 0.49 Allowed Glycine 0 C--N 1.281 -2.516 0 C-N-CA 117.573 -2.251 . . . . 0.0 108.865 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.62 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.8 mp0 -120.01 140.77 50.46 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.41 130.37 51.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 122.158 0.98 . . . . 0.0 111.221 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -80.08 162.39 24.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.47 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 47.0 p90 -59.96 -39.42 85.53 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.393 -0.817 . . . . 0.0 110.07 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.47 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 61.3 tt0 -66.37 -40.07 89.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.878 -1.139 . . . . 0.0 110.273 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.43 -40.04 74.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.569 -1.332 . . . . 0.0 111.082 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 74' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -70.35 -39.99 74.34 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.234 -0.916 . . . . 0.0 111.816 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 75' ' ' VAL . . . . . 0.449 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 9.6 p -69.9 -33.11 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.188 -0.945 . . . . 0.0 111.019 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.13 -59.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.236 -0.915 . . . . 0.0 110.968 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.99 -49.76 54.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.953 -1.092 . . . . 0.0 112.488 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.68 -40.0 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.88 -1.138 . . . . 0.0 110.736 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.59 -24.41 60.07 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -58.41 6.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.049 -1.032 . . . . 0.0 108.253 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.4 -26.74 65.4 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.584 0.707 . . . . 0.0 109.759 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.454 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 87.2 m -63.21 -55.29 26.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.437 -0.79 . . . . 0.0 111.081 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.417 ' H ' HG23 ' B' ' 83' ' ' VAL . 2.2 t -80.48 -37.72 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.083 -1.011 . . . . 0.0 110.793 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 84' ' ' ALA . . . . . 0.44 ' O ' ' OD1' ' B' ' 87' ' ' ASN . . . -60.06 -39.52 86.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.412 0.625 . . . . 0.0 110.236 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 77.1 m -70.5 -39.97 73.82 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.21 -50.05 75.21 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.192 -0.942 . . . . 0.0 111.773 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' B' ' 84' ' ' ALA . 20.2 p-10 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 120.937 -1.102 . . . . 0.0 110.425 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.1 t60 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.181 0.515 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 7' ' ' LYS . . . . . 0.468 ' HZ1' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -60.3 -45.9 91.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.196 -0.94 . . . . 0.0 110.846 -179.746 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 tp -68.98 -56.73 6.89 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.977 -1.077 . . . . 0.0 111.17 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.36 -39.53 90.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.071 . . . . 0.0 110.107 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 N--CA 1.491 1.589 0 O-C-N 120.817 -1.177 . . . . 0.0 110.206 -179.097 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.979 0.419 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -45.36 94.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 110.996 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 tp -69.43 -56.68 6.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 111.198 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.89 -39.75 90.47 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.071 -178.094 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.166 -179.152 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.499 2.002 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 6' ' ' THR . 59.1 mp0 -64.43 -50.92 65.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LEU . . . . . 0.652 ' HB2' HG21 ' B' ' 14' ' ' VAL . 12.5 tp -60.08 -40.02 88.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.08 -47.79 74.41 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.025 0.917 . . . . 0.0 108.846 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.3 p -65.98 -30.13 70.63 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . 0.521 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -59.95 -46.72 88.5 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.089 -178.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt -60.27 -43.65 96.01 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.709 -1.244 . . . . 0.0 109.785 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.64 -40.18 96.23 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.483 -0.761 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' THR . . . . . 0.513 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 14.3 p -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.578 -0.701 . . . . 0.0 109.934 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD23 HD13 ' B' ' 4' ' ' LEU . 56.5 mt -58.37 -35.43 71.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.368 -0.832 . . . . 0.0 110.575 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ILE . . . . . 0.484 HD13 ' N ' ' A' ' 12' ' ' ILE . 3.2 mm -79.98 -29.35 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 120.348 -1.47 . . . . 0.0 111.342 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -64.29 -40.49 96.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.027 -1.671 . . . . 0.0 109.635 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' B' ' 4' ' ' LEU . 2.0 m -81.19 -38.13 16.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.581 -0.699 . . . . 0.0 111.013 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.86 -50.18 74.78 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.885 -1.134 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.524 -0.735 . . . . 0.0 110.744 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.35 -64.72 1.12 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.706 -1.246 . . . . 0.0 111.048 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -65.41 -40.08 92.94 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.597 -1.314 . . . . 0.0 111.431 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 5.6 m -68.4 -14.4 62.97 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.282 -0.886 . . . . 0.0 111.141 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.46 14.09 56.66 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt . . . . . 0 N--CA 1.491 1.595 0 O-C-N 120.548 -1.56 . . . . 0.0 107.624 178.729 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -133.34 138.71 46.47 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.266 -1.521 . . . . 0.0 107.032 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 7.4 tp -95.0 157.42 15.9 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' SER . . . . . 0.535 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 45.9 t -136.54 165.77 25.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.467 -0.77 . . . . 0.0 109.865 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -47.72 -47.91 29.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.308 -0.87 . . . . 0.0 111.66 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' H ' ' HG2' ' A' ' 31' ' ' LYS . 24.0 pttm -70.86 -26.02 63.07 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.414 -1.429 . . . . 0.0 111.629 -178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . 0.535 ' HB2' ' H ' ' A' ' 29' ' ' SER . 33.1 mt-10 -74.61 -39.03 62.41 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.936 -1.102 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.08 -36.67 58.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 111.0 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.15 -41.32 92.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.625 -1.297 . . . . 0.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 54.1 t0 -79.39 -31.91 42.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.269 -0.894 . . . . 0.0 110.97 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 47.4 tp -66.21 -39.96 89.99 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.428 -0.795 . . . . 0.0 112.944 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 38' ' ' GLN . 2.7 pp -86.05 -40.11 16.1 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.568 -1.333 . . . . 0.0 113.166 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.451 ' N ' HD12 ' A' ' 37' ' ' LEU . 13.3 pt20 -64.81 -40.98 96.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.425 -1.422 . . . . 0.0 110.823 -177.598 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -70.74 -40.38 72.77 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.294 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 26.7 mp0 -95.02 -15.41 23.51 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.028 -1.045 . . . . 0.0 111.482 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.81 75.55 1.58 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.126 -0.984 . . . . 0.0 108.801 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 43' ' ' SER . 58.3 p -85.25 141.58 30.01 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.35 0.595 . . . . 0.0 109.395 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.7 OUTLIER 73.17 -2.77 2.63 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.466 -0.771 . . . . 0.0 110.929 179.016 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PHE . . . . . 0.406 ' C ' HD22 ' A' ' 45' ' ' LEU . 94.6 m-85 -109.14 -67.09 1.0 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.4 mm? -97.93 140.2 32.63 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' ' 47' ' ' VAL . 40.3 m-20 -124.87 153.3 42.81 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 109.098 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.3 m -158.21 -35.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -86.8 -20.96 26.8 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.315 -0.865 . . . . 0.0 110.198 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.61 -38.93 81.0 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -128.64 118.84 23.61 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.701 -0.624 . . . . 0.0 110.207 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -26.69 64.42 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' HB3' ' HZ1' ' C' ' 7' ' ' LYS . 85.1 m-20 -68.41 -26.12 65.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 108.779 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.11 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.114 -0.991 . . . . 0.0 110.412 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 10.5 t -69.65 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 112.331 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 20.8 p-10 -63.74 -40.06 95.82 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 120.7 -1.25 . . . . 0.0 111.05 -177.304 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 68.3 mttm -70.02 -38.84 76.01 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.198 -0.939 . . . . 0.0 111.655 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 61' ' ' LEU . 80.2 mt -82.04 -55.61 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.149 -0.969 . . . . 0.0 110.496 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' MET . . . . . 0.408 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.1 tmt? -60.39 -43.99 96.09 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.731 -0.606 . . . . 0.0 112.029 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.42 -36.37 78.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.401 -1.437 . . . . 0.0 109.136 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.99 -16.29 36.19 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.428 -0.795 . . . . 0.0 109.501 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.7 tp -85.07 -18.03 35.58 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 65' ' ' GLY . 6.9 m-20 -91.81 40.57 1.04 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.266 -2.864 . . . . 0.0 103.266 173.775 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' A' ' 61' ' ' LEU . 11.5 pt-20 -36.87 -20.59 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 111.705 -2.498 . . . . 0.0 110.939 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 62' ' ' ASP . 97.5 m-20 -85.02 5.88 27.55 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.03 35.95 78.97 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 42.7 p-10 -101.73 -16.42 16.66 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.079 -1.247 . . . . 0.0 110.595 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.9 -13.63 13.03 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 99.4 mt-10 -107.86 133.64 51.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.13 139.71 21.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 O-C-N 121.461 -0.774 . . . . 0.0 110.581 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' GLN . 91.5 m-20 -97.62 122.73 41.03 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.365 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.4 p90 -27.43 -37.18 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLN . . . . . 0.555 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.1 tt0 -60.17 -42.08 94.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.87 -1.144 . . . . 0.0 109.813 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.5 mt-10 -66.51 -40.11 89.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.054 -1.029 . . . . 0.0 109.79 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.12 -40.14 88.67 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.37 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -71.53 -36.27 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.952 -1.092 . . . . 0.0 111.514 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.03 -58.46 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.061 . . . . 0.0 111.233 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.06 -44.26 69.52 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.064 -1.023 . . . . 0.0 113.017 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.07 -39.79 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 120.564 -1.335 . . . . 0.0 110.616 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.91 -26.67 49.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.109 -0.994 . . . . 0.0 110.227 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.07 67.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.768 -1.207 . . . . 0.0 109.137 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 24.6 mt -93.15 -25.12 18.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.587 -0.695 . . . . 0.0 109.977 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -69.7 -53.03 20.49 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.016 -178.561 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' N ' ' CG2' ' A' ' 82' ' ' THR . 2.2 t -73.86 -39.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.8 -1.187 . . . . 0.0 109.611 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.14 76.32 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.465 -0.772 . . . . 0.0 109.593 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.8 m -63.41 -40.02 96.06 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.167 -0.958 . . . . 0.0 109.383 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -60.9 -40.04 91.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.34 -0.85 . . . . 0.0 109.379 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.5 t30 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.277 -0.889 . . . . 0.0 110.571 -178.834 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.498 1.964 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' B' ' 6' ' ' THR . 58.9 mp0 -64.25 -50.86 66.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 4' ' ' LEU . . . . . 0.625 ' HB2' HG21 ' A' ' 14' ' ' VAL . 12.6 tp -60.64 -39.51 88.54 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.566 -0.709 . . . . 0.0 109.827 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.53 -47.74 75.8 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 122.172 0.987 . . . . 0.0 108.584 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.0 p -66.17 -29.56 69.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.75 -0.594 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ALA . . . . . 0.513 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -60.21 -45.83 91.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.344 -0.847 . . . . 0.0 109.895 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.13 -43.84 95.39 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.069 -1.019 . . . . 0.0 109.735 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.93 -40.11 95.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 110.579 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 12.7 p -61.63 -44.59 96.7 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 109.854 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 11' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 4' ' ' LEU . 74.6 mt -57.7 -35.88 71.23 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.585 -0.697 . . . . 0.0 110.394 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' ILE . . . . . 0.5 ' N ' HD13 ' B' ' 12' ' ' ILE . 3.0 mm -79.61 -30.53 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 O-C-N 120.31 -1.494 . . . . 0.0 111.505 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -63.11 -40.23 97.02 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.122 -1.611 . . . . 0.0 109.655 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' ' 4' ' ' LEU . 2.4 m -81.96 -37.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.46 -0.775 . . . . 0.0 110.896 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 110.852 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -72.46 -22.39 61.08 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.588 -0.695 . . . . 0.0 110.559 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -65.0 1.06 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.671 -1.268 . . . . 0.0 111.062 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -65.15 -39.9 93.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.655 -1.278 . . . . 0.0 111.424 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 m -68.55 -14.35 62.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -0.915 . . . . 0.0 111.013 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.36 13.54 56.93 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt . . . . . 0 N--CA 1.493 1.7 0 O-C-N 120.543 -1.563 . . . . 0.0 107.679 178.849 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -133.3 138.51 46.44 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.257 -1.527 . . . . 0.0 107.073 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -94.98 157.68 15.79 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 29' ' ' SER . . . . . 0.522 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 42.0 t -137.13 165.05 26.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.416 -0.802 . . . . 0.0 109.926 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -46.65 -48.32 19.98 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.287 -0.883 . . . . 0.0 111.757 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' B' ' 31' ' ' LYS . 23.8 pttm -71.22 -24.97 62.3 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.368 -1.458 . . . . 0.0 111.746 -178.309 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 32' ' ' GLU . . . . . 0.522 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.6 mt-10 -75.18 -38.89 60.67 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -75.81 -36.98 59.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.424 -0.798 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.755 -1.216 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.3 t0 -79.78 -31.67 40.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.291 -0.88 . . . . 0.0 110.789 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.473 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.7 tp -66.27 -40.0 89.81 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 112.912 -177.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 38' ' ' GLN . 2.7 pp -86.05 -40.05 16.16 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.413 -1.429 . . . . 0.0 113.12 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLN . . . . . 0.449 ' N ' HD12 ' B' ' 37' ' ' LEU . 13.2 pt20 -64.77 -40.94 96.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.605 -1.31 . . . . 0.0 110.724 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -70.79 -40.04 72.8 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.541 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 26.2 mp0 -95.29 -15.65 23.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.074 -1.016 . . . . 0.0 111.399 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -134.77 75.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.949 -1.095 . . . . 0.0 108.983 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 42' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 43' ' ' SER . 52.3 p -85.51 141.4 29.92 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.39 0.614 . . . . 0.0 109.524 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.7 OUTLIER 73.38 -2.86 2.62 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.66 -0.65 . . . . 0.0 110.777 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 44' ' ' PHE . . . . . 0.409 ' C ' HD22 ' B' ' 45' ' ' LEU . 95.8 m-85 -109.05 -67.43 0.98 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 45' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -97.77 140.08 32.69 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 46' ' ' ASP . . . . . 0.465 ' O ' HG13 ' B' ' 47' ' ' VAL . 41.5 m-20 -124.55 153.7 41.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.874 -1.141 . . . . 0.0 109.27 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 47' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 15.3 m -158.47 -36.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -86.88 -20.53 27.29 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.76 -39.13 80.41 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -128.83 119.4 24.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.503 -0.748 . . . . 0.0 109.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.25 64.08 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.78 -25.71 64.84 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 108.911 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -38.63 66.4 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.267 -0.896 . . . . 0.0 110.726 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 54' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 11.5 t -70.75 -55.57 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.895 . . . . 0.0 112.02 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 55' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 20.4 p-10 -63.9 -40.05 95.6 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 120.805 -1.184 . . . . 0.0 111.09 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 56' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 68.7 mttm -69.94 -38.62 76.22 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 111.836 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 57' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' B' ' 61' ' ' LEU . 85.3 mt -82.21 -55.37 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.195 -0.94 . . . . 0.0 110.399 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -45.06 94.05 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.693 -0.629 . . . . 0.0 112.102 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.9 -36.22 79.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.647 -1.283 . . . . 0.0 109.087 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -87.28 -16.2 35.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.372 -0.83 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 61' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' B' ' 63' ' ' GLU . 52.3 tp -84.93 -18.44 34.62 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 62' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' B' ' 65' ' ' GLY . 7.9 m-20 -91.55 40.72 1.04 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 103.38 -2.822 . . . . 0.0 103.38 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 63' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' B' ' 61' ' ' LEU . 11.5 pt-20 -37.0 -20.55 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 111.688 -2.505 . . . . 0.0 110.907 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 64' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 62' ' ' ASP . 97.7 m-20 -84.83 5.23 29.55 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 65' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 58.75 34.92 79.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 66' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 43.0 p-10 -100.7 -16.64 17.3 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.008 -1.289 . . . . 0.0 110.402 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.98 -12.54 11.23 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 68' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 99.4 mt-10 -107.52 135.86 48.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 69' ' ' VAL . . . . . 0.4 HG22 ' OD1' ' B' ' 62' ' ' ASP . 71.1 t -102.24 140.14 21.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 O-C-N 121.249 -0.907 . . . . 0.0 110.381 -177.67 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.4 m-20 -97.88 122.79 41.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.525 -0.734 . . . . 0.0 109.332 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.8 p90 -27.21 -37.45 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 72' ' ' GLN . . . . . 0.55 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.3 tt0 -60.04 -41.88 93.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.912 -1.118 . . . . 0.0 110.013 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 73' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.6 mt-10 -66.79 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.965 . . . . 0.0 109.698 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.58 -36.4 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.006 -1.059 . . . . 0.0 111.352 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.94 -58.47 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.877 -1.139 . . . . 0.0 111.27 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 tt -70.01 -44.47 69.25 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.896 -1.127 . . . . 0.0 112.878 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.33 -39.35 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.612 -1.305 . . . . 0.0 110.579 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.15 -26.69 47.89 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.044 -1.035 . . . . 0.0 110.227 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -21.71 66.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.744 -1.223 . . . . 0.0 109.702 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 81' ' ' LEU . . . . . 0.484 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 23.6 mt -96.16 -25.05 15.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.419 -0.8 . . . . 0.0 109.701 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 82' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -69.76 -52.66 23.38 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.91 -178.33 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 83' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 82' ' ' THR . 2.2 t -74.41 -39.14 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.812 -1.18 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.73 75.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.21 -0.931 . . . . 0.0 109.738 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 85' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 56.1 m -63.19 -39.82 95.74 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.463 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -61.12 -40.09 92.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.398 -0.814 . . . . 0.0 109.595 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 41.7 t30 . . . . . 0 C--N 1.302 -1.489 0 O-C-N 121.528 -0.732 . . . . 0.0 110.528 -178.835 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.472 ' HD2' ' H1 ' ' C' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.02 -41.06 91.36 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.085 -1.009 . . . . 0.0 110.328 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.31 86.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.958 -1.089 . . . . 0.0 110.064 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -72.84 -24.69 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.149 -0.969 . . . . 0.0 109.857 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.3 -0.875 . . . . 0.0 108.982 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.03 -39.76 87.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.411 -0.806 . . . . 0.0 109.578 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.61 -50.17 74.93 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 110.271 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' C' ' 12' ' ' GLN . 55.9 tp -61.17 -49.98 75.03 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 110.973 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.1 mp -68.66 -39.96 80.42 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.155 -0.966 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 84.3 p -69.15 -54.43 14.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.99 -1.069 . . . . 0.0 109.075 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' C' ' 12' ' ' GLN . 3.8 tppp? -69.85 -43.44 71.92 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.378 -0.826 . . . . 0.0 109.296 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' C' ' 8' ' ' LEU . 57.5 tt0 . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.403 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.404 ' HD2' ' H1 ' ' D' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.98 -40.78 90.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.134 -0.979 . . . . 0.0 110.333 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.37 86.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.011 -1.056 . . . . 0.0 110.078 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.92 -24.65 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.166 -0.959 . . . . 0.0 109.87 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -60.02 -40.0 87.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -0.854 . . . . 0.0 108.954 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -59.94 -39.68 86.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.393 -0.817 . . . . 0.0 109.58 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -59.84 -49.98 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.184 -0.947 . . . . 0.0 110.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' D' ' 12' ' ' GLN . 54.9 tp -61.3 -49.99 74.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.097 -1.002 . . . . 0.0 110.887 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.1 mp -68.6 -39.98 80.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.187 -0.945 . . . . 0.0 109.561 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 91.6 p -69.12 -54.47 14.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.106 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' D' ' 12' ' ' GLN . 3.7 tppp? -69.88 -43.36 71.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.344 -0.848 . . . . 0.0 109.339 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' D' ' 8' ' ' LEU . 59.2 tt0 . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.391 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.204 2.442 . . . . 0.0 119.204 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -108.23 15.9 23.71 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.414 -1.051 . . . . 0.0 108.26 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.432 ' O ' ' OG1' ' A' ' 6' ' ' THR . 96.9 mt-10 -64.87 -54.99 22.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.758 -0.589 . . . . 0.0 111.055 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.441 ' CG ' HG11 ' B' ' 14' ' ' VAL . 78.5 mt -58.0 -39.66 78.82 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.873 -1.142 . . . . 0.0 111.019 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -53.72 -44.42 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.715 -1.24 . . . . 0.0 108.592 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.5 p -70.58 -34.88 72.68 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.403 -0.811 . . . . 0.0 110.115 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.36 -52.7 60.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.347 -0.846 . . . . 0.0 110.44 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 ttt -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.768 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.41 -40.02 92.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.303 -0.873 . . . . 0.0 110.507 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 4.0 p -69.43 -46.1 67.58 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.812 0.815 . . . . 0.0 110.725 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.14 -49.68 76.67 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.762 -0.586 . . . . 0.0 112.305 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.2 mt -76.37 -39.81 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 0.0 112.438 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 119.984 -1.697 . . . . 0.0 109.895 -178.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG11 ' CG ' ' B' ' 4' ' ' LEU . 9.8 p -80.42 -29.92 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.366 -0.834 . . . . 0.0 110.318 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.03 -53.35 58.9 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.257 -0.902 . . . . 0.0 111.361 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -80.34 -20.83 43.29 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.972 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.38 3.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.574 -1.329 . . . . 0.0 110.696 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -80.38 -25.57 39.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.681 -1.262 . . . . 0.0 111.261 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' HD21 ' A' ' 28' ' ' LEU . 20.4 m -60.38 -22.99 63.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.661 -1.274 . . . . 0.0 110.818 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.21 28.02 10.15 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -74.1 -41.17 62.08 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.02 -1.282 . . . . 0.0 109.151 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -137.5 -19.35 1.22 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.258 -0.901 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.97 -130.93 3.91 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.904 -1.123 . . . . 0.0 110.48 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.46 163.96 12.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.443 -1.033 . . . . 0.0 109.393 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -51.56 -39.44 57.83 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.38 -0.825 . . . . 0.0 111.425 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -146.83 52.45 1.1 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.259 -1.526 . . . . 0.0 112.669 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 141.53 35.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 175.117 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -98.05 154.36 17.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.762 -1.211 . . . . 0.0 110.651 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.456 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 70.9 m -127.59 160.97 29.95 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' SER . 34.4 ttmt -47.95 -41.16 24.28 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.213 -1.395 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -70.88 -32.6 69.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.117 -0.989 . . . . 0.0 112.193 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.3 mt-10 -76.47 -38.26 55.63 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.481 -1.387 . . . . 0.0 108.857 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.0 -50.02 75.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.723 -0.611 . . . . 0.0 112.36 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -68.99 -30.0 68.31 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.815 -1.178 . . . . 0.0 112.26 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -76.25 -35.18 59.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.621 -1.299 . . . . 0.0 109.346 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.92 -36.3 83.0 Favored 'General case' 0 C--N 1.287 -2.122 0 O-C-N 120.881 -1.137 . . . . 0.0 110.593 -178.59 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.36 -39.93 27.58 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.716 -1.24 . . . . 0.0 112.162 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -68.98 -18.3 64.04 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.647 -1.283 . . . . 0.0 108.192 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.1 m -67.74 -70.23 0.27 Allowed 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.814 -0.554 . . . . 0.0 111.064 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 44.2 tp10 -107.78 -31.86 7.87 Favored 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 120.325 1.42 . . . . 0.0 113.046 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -92.84 66.04 4.24 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.209 -1.557 . . . . 0.0 108.92 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 44' ' ' PHE . 95.7 p -84.01 144.17 29.29 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.024 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.9 p 68.92 -7.0 0.8 Allowed 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.097 -1.002 . . . . 0.0 110.571 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.457 ' C ' HD22 ' A' ' 45' ' ' LEU . 97.4 m-85 -103.72 -61.19 1.46 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.7 mm? -105.82 136.03 46.19 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -118.9 152.17 36.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.671 -1.268 . . . . 0.0 109.049 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 48' ' ' GLN . 34.0 m -159.36 -34.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.492 ' N ' HG23 ' A' ' 47' ' ' VAL . 12.7 pt20 -75.85 -55.44 5.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.188 -0.945 . . . . 0.0 111.981 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -70.05 -32.61 70.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.704 -1.248 . . . . 0.0 110.575 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 14.9 p-10 -99.78 94.66 6.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.101 -0.999 . . . . 0.0 109.505 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.95 75.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.48 -0.762 . . . . 0.0 110.373 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -38.31 82.19 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.113 -0.992 . . . . 0.0 108.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.15 90.14 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.641 -0.662 . . . . 0.0 111.277 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 60.1 t -69.59 -55.68 14.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.912 -1.117 . . . . 0.0 112.189 -177.546 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -65.84 -40.43 91.75 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.314 -1.491 . . . . 0.0 111.133 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -70.16 -40.07 74.95 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.082 -1.011 . . . . 0.0 111.723 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.539 ' O ' ' N ' ' A' ' 61' ' ' LEU . 91.3 mt -80.96 -52.32 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.062 -1.024 . . . . 0.0 110.916 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -62.4 -44.43 96.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.654 -0.654 . . . . 0.0 111.214 -177.853 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -69.41 -35.84 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.917 -1.114 . . . . 0.0 109.831 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.89 -18.65 25.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.122 -0.986 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.2 tp -75.87 -24.76 55.74 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.0 m-20 -86.97 43.51 1.1 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 175.13 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.575 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.3 tt0 -38.34 -19.13 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 111.878 -2.419 . . . . 0.0 110.639 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 95.3 m-20 -88.43 -4.82 58.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.59 -1.319 . . . . 0.0 108.627 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 83.18 36.62 14.34 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' A' ' 68' ' ' GLU . 16.2 t0 -109.87 110.2 21.09 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.19 8.36 0.1 OUTLIER Glycine 0 N--CA 1.495 2.616 0 O-C-N 119.067 -2.271 . . . . 0.0 110.198 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.626 ' H ' ' C ' ' A' ' 66' ' ' ASP . 96.9 mt-10 -120.35 143.5 48.37 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.99 136.54 38.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 122.077 0.941 . . . . 0.0 110.975 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.07 163.05 18.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.386 -0.821 . . . . 0.0 108.866 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 53.9 p90 -59.91 -40.05 87.5 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 110.303 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -63.0 -39.95 96.31 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.067 -1.02 . . . . 0.0 111.153 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -68.92 -39.97 79.34 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.477 -1.389 . . . . 0.0 109.769 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.77 -40.04 94.62 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.75 -38.41 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.967 -1.083 . . . . 0.0 111.548 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.38 -58.83 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 112.114 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -39.99 72.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.692 -1.255 . . . . 0.0 112.348 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.0 t -68.87 -38.72 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.811 -1.181 . . . . 0.0 109.961 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.71 -24.75 62.71 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.443 -0.786 . . . . 0.0 109.278 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 -53.04 57.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.965 -1.085 . . . . 0.0 108.62 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -65.09 -25.1 67.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.462 -0.774 . . . . 0.0 109.652 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 88.2 m -64.52 -55.53 19.98 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.69 -177.486 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 83' ' ' VAL . 1.4 t -79.48 -32.56 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.989 -1.07 . . . . 0.0 110.605 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.98 -52.46 56.1 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.562 -0.711 . . . . 0.0 110.453 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.08 -39.96 87.87 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 109.922 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 21.4 m120 -60.1 -40.05 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.242 -0.911 . . . . 0.0 110.476 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.99 -43.95 94.83 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.955 -1.09 . . . . 0.0 110.507 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -59.95 -40.05 87.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.894 -1.129 . . . . 0.0 109.322 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 90' ' ' TRP . 19.9 t80 45.75 -169.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.892 0.853 . . . . 0.0 110.633 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.43 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 85.1 t90 -68.8 -16.44 63.79 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.348 0.594 . . . . 0.0 109.57 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -52.82 -24.62 9.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 109.408 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -80.13 -3.61 49.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.118 -0.989 . . . . 0.0 109.441 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.117 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.465 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.893 0 N-CA-C 119.261 2.464 . . . . 0.0 119.261 . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -108.14 15.45 24.19 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.395 -1.062 . . . . 0.0 108.23 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 97.3 mt-10 -64.63 -54.78 26.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.742 -0.599 . . . . 0.0 111.011 -179.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.431 ' CG ' HG11 ' A' ' 14' ' ' VAL . 79.2 mt -58.2 -39.7 79.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.871 -1.143 . . . . 0.0 110.906 -177.227 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -53.25 -45.08 68.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.686 -1.259 . . . . 0.0 108.58 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -70.48 -33.26 71.04 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.452 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -56.23 -51.77 66.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.878 . . . . 0.0 110.279 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.8 ttt -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.41 -0.806 . . . . 0.0 109.711 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.5 -40.01 93.04 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.318 -0.864 . . . . 0.0 110.435 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 3.6 p -69.35 -46.24 67.49 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.715 0.769 . . . . 0.0 110.632 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.04 -49.59 77.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.763 -0.586 . . . . 0.0 112.456 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.31 -39.97 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.126 -0.983 . . . . 0.0 112.389 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.409 ' OD1' ' OE2' ' A' ' 3' ' ' GLU . 24.1 t-20 -60.08 -39.93 87.79 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.117 -1.614 . . . . 0.0 109.804 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.441 HG11 ' CG ' ' A' ' 4' ' ' LEU . 8.7 p -80.31 -30.03 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.338 -0.851 . . . . 0.0 110.344 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.04 -53.35 58.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 111.428 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.3 -20.94 43.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 122.022 -0.424 . . . . 0.0 111.972 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.25 3.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.56 -1.337 . . . . 0.0 110.695 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -80.36 -25.52 39.15 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.682 -1.261 . . . . 0.0 111.285 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.423 ' OG ' HD11 ' B' ' 28' ' ' LEU . 20.6 m -60.35 -23.05 63.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.627 -1.296 . . . . 0.0 110.824 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 28.33 9.79 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -74.24 -41.33 61.49 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.052 -1.264 . . . . 0.0 109.078 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -137.64 -18.88 1.22 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.23 -0.919 . . . . 0.0 110.276 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -89.3 -131.21 4.14 Favored Glycine 0 N--CA 1.496 2.665 0 O-C-N 120.834 -1.167 . . . . 0.0 110.393 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -96.3 163.99 12.84 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.443 -1.033 . . . . 0.0 109.423 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -51.58 -39.18 57.41 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.411 -0.805 . . . . 0.0 111.465 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -146.98 52.54 1.09 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.283 -1.511 . . . . 0.0 112.682 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.406 ' C ' HD22 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -140.49 141.59 35.37 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 175.072 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -98.26 154.28 17.91 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.644 -1.285 . . . . 0.0 110.708 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 73.8 m -127.33 161.05 29.54 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -48.03 -40.93 24.32 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.237 -1.385 . . . . 0.0 109.998 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -71.83 -31.75 66.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.095 -1.003 . . . . 0.0 112.009 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.457 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.0 mt-10 -76.6 -38.28 55.08 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.405 -1.435 . . . . 0.0 108.865 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.95 -50.03 75.35 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.747 -0.596 . . . . 0.0 112.455 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -69.21 -29.75 67.78 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.764 -1.21 . . . . 0.0 112.289 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -76.29 -35.27 58.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.647 -1.283 . . . . 0.0 109.358 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 36' ' ' LEU . 0.7 OUTLIER -65.88 -36.22 82.83 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 120.902 -1.124 . . . . 0.0 110.666 -178.622 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.64 -39.23 27.72 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.619 -1.301 . . . . 0.0 112.174 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.61 -18.17 63.59 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.649 -1.282 . . . . 0.0 108.22 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.0 m -67.81 -70.33 0.26 Allowed 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.904 -0.497 . . . . 0.0 111.007 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 45.0 tp10 -107.56 -31.94 7.9 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.26 1.391 . . . . 0.0 113.101 -177.541 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.4 mt -92.85 66.22 4.26 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.15 -1.594 . . . . 0.0 109.002 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.427 ' C ' ' H ' ' B' ' 44' ' ' PHE . 96.4 p -84.01 144.45 29.11 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.993 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' B' ' 42' ' ' SER . 2.8 p 68.66 -7.28 0.74 Allowed 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.179 -0.951 . . . . 0.0 110.569 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.44 ' C ' HD22 ' B' ' 45' ' ' LEU . 96.9 m-85 -103.3 -61.46 1.41 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 2.6 mm? -105.68 136.38 45.4 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -119.02 152.05 37.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.659 -1.276 . . . . 0.0 109.014 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.511 HG23 ' N ' ' B' ' 48' ' ' GLN . 33.9 m -159.25 -34.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.511 ' N ' HG23 ' B' ' 47' ' ' VAL . 12.4 pt20 -75.85 -55.42 5.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.175 -0.953 . . . . 0.0 111.983 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -70.03 -32.7 70.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.708 -1.245 . . . . 0.0 110.566 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' B' ' 50' ' ' ASP . 14.6 p-10 -99.73 94.66 6.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.097 -1.002 . . . . 0.0 109.573 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.98 -38.17 75.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.532 -0.73 . . . . 0.0 110.399 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -37.78 80.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.108 -0.995 . . . . 0.0 108.383 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.26 82.71 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.668 -0.645 . . . . 0.0 111.785 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 62.4 t -71.46 -55.6 13.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.897 -1.127 . . . . 0.0 112.085 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.84 -40.23 91.55 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.397 -1.439 . . . . 0.0 111.116 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -40.0 74.13 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.091 -1.006 . . . . 0.0 111.677 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' LEU . 92.0 mt -80.99 -52.41 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.5 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.685 -0.634 . . . . 0.0 111.364 -177.911 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -69.2 -36.01 76.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.913 -1.117 . . . . 0.0 109.844 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.8 -18.63 25.91 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.987 . . . . 0.0 109.718 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' GLU . 44.0 tp -75.89 -24.8 55.68 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' B' ' 64' ' ' ASN . 15.1 m-20 -86.9 43.38 1.09 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' LEU . 84.0 tt0 -38.2 -19.24 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 112.016 -2.356 . . . . 0.0 110.6 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' B' ' 62' ' ' ASP . 94.3 m-20 -88.3 -4.94 58.61 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.65 -1.281 . . . . 0.0 108.758 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 84.15 34.31 18.02 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' B' ' 68' ' ' GLU . 18.2 t0 -107.92 110.33 22.05 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.64 8.61 0.12 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 118.999 -2.313 . . . . 0.0 110.118 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.608 ' H ' ' C ' ' B' ' 66' ' ' ASP . 96.8 mt-10 -120.38 143.36 48.47 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.39 136.75 36.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 CA-C-O 122.038 0.923 . . . . 0.0 110.96 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.2 163.07 18.01 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.7 p90 -59.98 -39.99 87.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.12 -0.988 . . . . 0.0 110.248 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.535 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.5 tt0 -62.91 -40.02 96.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.081 -1.012 . . . . 0.0 111.134 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.458 -1.401 . . . . 0.0 109.767 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -64.79 -39.96 94.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.74 -38.2 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.863 -1.148 . . . . 0.0 111.584 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.54 -58.81 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.07 -1.019 . . . . 0.0 112.131 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.69 -40.05 73.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.644 -1.285 . . . . 0.0 112.26 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.11 -38.55 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.812 -1.18 . . . . 0.0 109.87 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -24.33 62.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.437 -0.789 . . . . 0.0 109.419 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.53 -57.37 10.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.14 -26.15 66.06 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.543 0.687 . . . . 0.0 109.771 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 91.1 m -64.51 -55.63 19.37 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.069 -1.019 . . . . 0.0 110.834 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.4 -32.21 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.88 -1.138 . . . . 0.0 110.704 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.18 51.3 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.572 0.701 . . . . 0.0 110.339 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.6 m -60.01 -40.05 87.9 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.643 -0.661 . . . . 0.0 109.771 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 82' ' ' THR . 21.8 m120 -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.154 -0.966 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -60.04 -43.83 95.07 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.983 -1.073 . . . . 0.0 110.525 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -59.99 -40.01 87.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.902 -1.124 . . . . 0.0 109.308 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' B' ' 90' ' ' TRP . 19.4 t80 45.73 -169.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.845 0.831 . . . . 0.0 110.672 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.431 ' N ' ' CG ' ' B' ' 89' ' ' PHE . 84.9 t90 -68.89 -16.49 63.77 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.38 0.609 . . . . 0.0 109.526 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -52.79 -24.51 9.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.341 -0.849 . . . . 0.0 109.424 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -80.33 -3.43 49.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.155 -0.966 . . . . 0.0 109.389 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.112 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.97 -40.03 87.67 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.095 -1.003 . . . . 0.0 109.457 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.88 -40.37 79.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.179 -0.951 . . . . 0.0 108.749 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.67 -40.02 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -31.49 71.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.608 -0.683 . . . . 0.0 109.467 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -59.48 -40.01 85.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.801 -1.187 . . . . 0.0 108.888 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -60.04 -48.91 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.427 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.574 HD13 HD11 ' A' ' 57' ' ' ILE . 34.8 tp -60.0 -50.13 74.95 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.915 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.74 -39.98 95.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.0 110.136 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 42.0 t -62.74 -41.35 99.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.077 -1.015 . . . . 0.0 110.992 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -100.89 0.12 37.87 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.053 -1.029 . . . . 0.0 110.889 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 120.8 -1.188 . . . . 0.0 108.879 -179.811 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -60.06 -39.99 87.93 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.52 79.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 108.758 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.62 -39.99 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -31.27 71.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.557 -0.714 . . . . 0.0 109.494 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -59.61 -40.01 86.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.787 -1.196 . . . . 0.0 108.778 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.404 ' HZ1' ' CB ' ' B' ' 56' ' ' LYS . 23.2 ttpp -59.96 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.531 HD13 HD11 ' B' ' 57' ' ' ILE . 33.9 tp -60.08 -50.15 74.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.31 -0.868 . . . . 0.0 110.899 -178.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.65 -39.95 95.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t -63.11 -41.05 99.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.94 . . . . 0.0 110.896 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -100.86 0.08 37.88 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.017 -1.052 . . . . 0.0 110.996 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.494 1.729 0 O-C-N 120.78 -1.2 . . . . 0.0 108.888 -179.694 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.883 0 N-CA-C 119.721 2.648 . . . . 0.0 119.721 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -108.45 4.89 24.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.318 -1.107 . . . . 0.0 108.631 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.13 -56.93 15.54 Favored 'General case' 0 C--O 1.2 -1.5 0 O-C-N 121.305 -0.872 . . . . 0.0 110.783 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' B' ' 40' ' ' GLU . 84.2 mt -58.2 -38.64 77.15 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.887 -1.133 . . . . 0.0 110.296 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -54.62 -45.36 73.67 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.962 -1.086 . . . . 0.0 108.287 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.6 p -70.0 -36.38 75.1 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.487 -0.758 . . . . 0.0 110.052 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -51.46 -51.78 52.03 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.334 -0.854 . . . . 0.0 109.872 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ttt -60.04 -36.16 76.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.45 -39.94 94.78 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.211 -0.931 . . . . 0.0 110.464 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 15.0 p -68.25 -46.74 69.64 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.83 0.824 . . . . 0.0 110.553 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -45.31 93.23 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mt -80.7 -36.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.754 -1.216 . . . . 0.0 112.274 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -59.98 -40.22 88.35 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.197 -1.564 . . . . 0.0 109.911 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -80.62 -34.69 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.357 -0.839 . . . . 0.0 110.682 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.347 -0.846 . . . . 0.0 112.446 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -82.56 -21.07 35.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.514 -0.742 . . . . 0.0 111.675 -177.317 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.86 -59.96 2.71 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.569 -1.332 . . . . 0.0 110.47 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -71.66 -36.36 70.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.728 -1.232 . . . . 0.0 111.138 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -57.53 -20.03 28.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.955 -1.091 . . . . 0.0 111.328 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.74 19.94 12.16 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB2' ' HZ2' ' A' ' 21' ' ' LYS . 1.5 tppp? -72.02 -46.9 55.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -145.84 51.35 1.17 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.683 -0.636 . . . . 0.0 109.666 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.97 4.44 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.645 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 25' ' ' LYS . 86.7 m-20 -91.54 162.55 14.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.66 -0.906 . . . . 0.0 109.31 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 24' ' ' ASP . 33.3 mtmm -22.39 -90.44 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.456 0 C-N-CA 122.138 0.175 . . . . 0.0 111.316 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -130.48 80.84 1.97 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.04 -1.037 . . . . 0.0 110.234 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.4 145.65 27.07 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -97.01 152.11 19.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.77 -1.206 . . . . 0.0 110.104 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.475 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 23.4 t -129.21 164.07 24.23 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -49.44 -42.3 42.48 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.489 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -71.59 -31.5 67.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.838 -1.164 . . . . 0.0 111.968 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.7 mt-10 -74.32 -37.26 63.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.262 -1.524 . . . . 0.0 108.269 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.09 -51.57 69.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.864 -0.522 . . . . 0.0 112.088 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.814 -1.179 . . . . 0.0 112.52 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -71.08 -32.13 68.71 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.944 -1.097 . . . . 0.0 109.895 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.1 tp -64.61 -40.06 94.83 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.606 -0.684 . . . . 0.0 112.751 -177.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.89 -33.75 21.15 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.316 -1.49 . . . . 0.0 113.215 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.98 -19.63 63.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.627 -1.295 . . . . 0.0 109.782 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -77.77 -67.25 0.74 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.613 -0.679 . . . . 0.0 112.119 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.645 ' HB2' HD12 ' B' ' 4' ' ' LEU . 26.4 mp0 -86.89 -48.25 8.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.367 -1.458 . . . . 0.0 111.144 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.87 66.89 5.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.17 . . . . 0.0 108.253 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.0 m -79.9 -23.55 41.75 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.119 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -108.15 4.06 24.46 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.053 -1.029 . . . . 0.0 111.675 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -119.94 -80.7 0.62 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.043 -1.035 . . . . 0.0 108.91 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.565 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -70.89 137.45 49.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.53 151.77 34.25 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 32.9 m -155.24 -34.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.75 -17.96 24.61 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.927 -1.108 . . . . 0.0 110.466 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -68.24 -39.98 82.14 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.245 -0.91 . . . . 0.0 108.924 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -129.96 116.8 19.12 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.341 0.591 . . . . 0.0 109.909 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.26 -30.79 71.69 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.43 -39.99 89.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.489 -0.757 . . . . 0.0 109.002 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.414 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.237 -0.914 . . . . 0.0 110.655 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 27.2 t -69.98 -56.44 11.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 112.594 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.15 -40.1 95.43 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.592 -1.317 . . . . 0.0 111.54 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -72.37 -39.91 67.68 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 111.267 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.574 HD11 HD13 ' C' ' 8' ' ' LEU . 96.5 mt -74.75 -53.67 16.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.05 -1.031 . . . . 0.0 109.867 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.9 tmt? -60.49 -46.09 91.39 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.166 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.37 -38.27 81.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 0.0 109.811 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -89.01 -17.04 30.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 0.0 109.832 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 57' ' ' ILE . 56.8 tp -82.23 -13.61 56.81 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.7 m-20 -96.78 34.19 1.73 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 175.543 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.6 pt-20 -36.08 -20.66 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 111.984 -2.371 . . . . 0.0 111.275 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 62' ' ' ASP . 83.5 m-20 -84.35 0.68 48.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.568 -1.332 . . . . 0.0 107.909 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 74.44 29.54 61.73 Favored Glycine 0 N--CA 1.478 1.475 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.633 ' C ' ' H ' ' A' ' 68' ' ' GLU . 19.9 p-10 -109.2 110.95 22.29 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.2 12.81 0.04 OUTLIER Glycine 0 N--CA 1.493 2.447 0 O-C-N 119.504 -1.997 . . . . 0.0 111.018 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.633 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.7 mt-10 -120.01 139.61 52.23 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.16 127.96 53.88 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 CA-C-O 122.156 0.979 . . . . 0.0 110.533 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.2 159.31 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.9 p90 -59.96 -36.33 76.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.127 -0.983 . . . . 0.0 110.135 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.3 tt0 -62.33 -40.14 95.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.771 -1.206 . . . . 0.0 110.484 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.12 -42.14 73.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.872 -1.143 . . . . 0.0 111.201 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.729 ' O ' HG22 ' A' ' 78' ' ' VAL . 43.7 t80 -64.5 -50.11 68.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.28 -0.888 . . . . 0.0 111.989 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.32 -35.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.877 -0.514 . . . . 0.0 111.77 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.07 -58.98 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.051 -1.031 . . . . 0.0 111.577 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.74 -43.63 92.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.043 -1.036 . . . . 0.0 113.236 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 74' ' ' PHE . 32.6 m -61.45 -35.33 65.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.967 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.453 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -76.14 -27.44 57.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.141 -0.975 . . . . 0.0 109.627 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -61.53 -30.29 70.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.002 -1.061 . . . . 0.0 109.445 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.69 -24.07 19.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.148 -0.97 . . . . 0.0 109.877 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -65.23 -53.44 44.45 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.76 -179.059 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 82' ' ' THR . 3.6 m -82.3 -37.49 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.734 -1.229 . . . . 0.0 111.05 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -65.93 -40.05 91.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.959 -1.088 . . . . 0.0 110.71 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.2 t -71.42 -39.02 71.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.258 -0.902 . . . . 0.0 110.119 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -60.01 -46.16 90.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.82 . . . . 0.0 110.7 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -80.0 -24.03 41.13 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.107 -0.995 . . . . 0.0 110.9 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.99 -49.11 78.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.961 -1.087 . . . . 0.0 111.029 -177.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.56 3.24 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.406 -1.434 . . . . 0.0 111.786 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -59.98 -41.16 91.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.629 -1.294 . . . . 0.0 109.854 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -84.78 -20.34 31.17 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.225 -0.922 . . . . 0.0 109.73 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 95.6 m-20 -102.23 16.82 25.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.243 -0.91 . . . . 0.0 109.861 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 N--CA 1.489 1.496 0 O-C-N 120.818 -1.176 . . . . 0.0 109.796 -179.493 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.837 0 N-CA-C 119.774 2.669 . . . . 0.0 119.774 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -108.23 4.91 25.22 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.409 -1.054 . . . . 0.0 108.644 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.9 mt-10 -59.95 -56.86 16.48 Favored 'General case' 0 C--O 1.201 -1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 110.705 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 40' ' ' GLU . 84.6 mt -58.32 -38.7 77.64 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.82 -1.175 . . . . 0.0 110.318 -177.491 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.41 -45.42 72.94 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.986 -1.071 . . . . 0.0 108.329 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 32.2 p -70.08 -35.24 74.06 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.456 -0.777 . . . . 0.0 110.022 179.162 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -50.87 63.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.717 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.7 ttt -59.93 -36.17 76.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 0.0 109.662 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.47 -40.04 94.95 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.203 -0.936 . . . . 0.0 110.321 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.0 p -68.29 -46.47 70.25 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.15 -45.2 93.88 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.7 -36.54 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.683 -1.261 . . . . 0.0 112.091 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.01 -40.18 88.4 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.225 -1.547 . . . . 0.0 109.875 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.401 HG11 HD21 ' A' ' 4' ' ' LEU . 9.0 p -80.59 -34.39 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.333 -0.854 . . . . 0.0 110.739 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.06 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.424 -0.798 . . . . 0.0 112.399 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -82.7 -20.85 35.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.503 -0.748 . . . . 0.0 111.769 -177.305 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.539 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.12 -59.89 2.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.613 -1.305 . . . . 0.0 110.4 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -71.81 -36.39 70.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.756 -1.215 . . . . 0.0 111.059 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -57.26 -19.9 24.45 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.966 -1.084 . . . . 0.0 111.387 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.83 19.55 12.22 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' LYS . . . . . 0.505 ' HB2' ' HZ2' ' B' ' 21' ' ' LYS . 1.5 tppp? -71.56 -47.0 57.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.839 -1.389 . . . . 0.0 108.864 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -145.86 51.37 1.17 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.743 -0.598 . . . . 0.0 109.731 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.54 4.36 Favored Glycine 0 N--CA 1.497 2.702 0 C-N-CA 119.682 -1.247 . . . . 0.0 110.639 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' B' ' 25' ' ' LYS . 86.8 m-20 -91.8 162.83 14.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.786 -0.832 . . . . 0.0 109.297 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' B' ' 24' ' ' ASP . 33.2 mtmm -22.83 -90.2 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.432 0 O-C-N 122.38 -0.2 . . . . 0.0 111.332 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -130.59 81.04 1.98 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.092 -1.005 . . . . 0.0 110.206 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.46 145.88 27.14 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.35 151.93 19.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.879 -1.138 . . . . 0.0 110.103 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 26.7 t -129.2 163.64 25.14 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.08 -42.02 37.36 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 118.59 -1.244 . . . . 0.0 110.557 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.7 -30.25 64.07 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.721 -1.237 . . . . 0.0 111.789 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.47 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.4 mt-10 -74.84 -37.13 62.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.191 -1.568 . . . . 0.0 108.24 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.06 -51.86 67.83 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.317 0.58 . . . . 0.0 112.037 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.699 -1.251 . . . . 0.0 112.468 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -71.15 -31.96 68.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.974 -1.079 . . . . 0.0 109.864 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.463 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 tp -64.74 -40.06 94.68 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.75 -33.82 21.35 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.244 -1.535 . . . . 0.0 113.264 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.96 -19.78 63.35 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.677 -1.264 . . . . 0.0 109.859 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -77.53 -67.28 0.74 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.761 -0.587 . . . . 0.0 112.152 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.579 ' HB2' HD12 ' A' ' 4' ' ' LEU . 25.9 mp0 -87.11 -47.98 8.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.367 -1.458 . . . . 0.0 111.23 -177.541 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.9 66.83 5.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.765 -1.209 . . . . 0.0 108.205 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -80.01 -23.32 41.6 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.208 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -108.49 4.48 24.26 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.01 -1.056 . . . . 0.0 111.512 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.02 -80.71 0.62 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.027 -1.045 . . . . 0.0 108.776 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.558 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.3 mm? -71.03 137.61 49.15 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.237 -0.985 . . . . 0.0 108.407 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.57 151.69 34.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 31.4 m -155.11 -34.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.52 -18.08 24.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 110.487 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -68.2 -40.0 82.3 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.189 -0.945 . . . . 0.0 109.067 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -130.04 116.46 18.58 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.286 0.565 . . . . 0.0 109.802 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.69 70.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.2 -40.0 92.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.456 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -60.63 -37.36 81.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.376 -0.827 . . . . 0.0 111.172 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 35.4 t -72.16 -56.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 112.589 -178.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.31 -39.97 94.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.767 -1.208 . . . . 0.0 111.567 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.404 ' CB ' ' HZ1' ' D' ' 7' ' ' LYS . 3.5 mptp? -72.46 -40.03 67.3 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.097 -1.002 . . . . 0.0 111.266 -178.625 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.531 HD11 HD13 ' D' ' 8' ' ' LEU . 96.6 mt -74.7 -53.45 16.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.968 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.46 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.9 tmt? -60.5 -46.0 91.74 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.188 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.69 -37.96 79.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.924 -1.11 . . . . 0.0 109.885 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.19 -17.07 29.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.093 -1.004 . . . . 0.0 109.837 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' B' ' 57' ' ' ILE . 56.4 tp -82.18 -13.47 57.1 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' B' ' 65' ' ' GLY . 5.6 m-20 -96.91 34.33 1.73 Allowed 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.6 pt-20 -36.16 -20.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 111.862 -2.426 . . . . 0.0 111.289 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 62' ' ' ASP . 83.7 m-20 -84.33 0.71 48.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.599 -1.313 . . . . 0.0 107.987 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 74.39 29.28 62.23 Favored Glycine 0 C--N 1.299 -1.527 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.623 ' C ' ' H ' ' B' ' 68' ' ' GLU . 20.0 p-10 -108.77 110.98 22.49 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.13 12.71 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 O-C-N 119.493 -2.004 . . . . 0.0 111.002 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.623 ' H ' ' C ' ' B' ' 66' ' ' ASP . 95.6 mt-10 -119.95 140.03 51.55 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.95 127.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 CA-C-O 122.132 0.968 . . . . 0.0 110.624 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.08 159.43 29.83 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 47.9 p90 -59.97 -36.4 77.07 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.542 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.4 tt0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.784 -1.198 . . . . 0.0 110.472 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.11 -42.13 73.06 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.841 -1.162 . . . . 0.0 111.335 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.713 ' O ' HG22 ' B' ' 78' ' ' VAL . 45.1 t80 -64.57 -50.16 68.35 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.356 -0.84 . . . . 0.0 112.044 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.1 -36.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.863 -0.523 . . . . 0.0 111.704 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.96 -59.0 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.031 -1.043 . . . . 0.0 111.531 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.57 -43.54 93.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 113.159 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.713 HG22 ' O ' ' B' ' 74' ' ' PHE . 30.1 m -62.16 -34.45 63.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 O-C-N 120.707 -1.246 . . . . 0.0 110.988 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.425 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -76.4 -27.52 56.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.024 . . . . 0.0 109.602 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' B' ' 84' ' ' ALA . . . -64.02 -23.69 67.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.893 -1.129 . . . . 0.0 109.988 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -96.39 -24.42 16.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -65.23 -53.27 46.99 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.886 -179.02 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' B' ' 82' ' ' THR . 4.1 m -82.63 -37.61 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.838 -1.164 . . . . 0.0 110.977 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 80' ' ' ALA . . . -65.91 -39.82 90.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.987 -1.071 . . . . 0.0 110.717 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.1 t -71.41 -39.17 71.29 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.177 -0.952 . . . . 0.0 110.227 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -60.0 -46.0 90.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.424 -0.798 . . . . 0.0 110.787 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -79.95 -24.06 41.25 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.128 -0.983 . . . . 0.0 110.93 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.89 -49.2 78.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.004 -1.06 . . . . 0.0 111.067 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.64 3.29 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.42 -1.425 . . . . 0.0 111.85 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -60.09 -41.1 91.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.682 -1.261 . . . . 0.0 109.85 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -84.7 -20.46 31.14 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.176 -0.953 . . . . 0.0 109.747 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 94.9 m-20 -102.08 16.72 25.19 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.191 -0.943 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.49 1.548 0 O-C-N 120.92 -1.112 . . . . 0.0 109.773 -179.455 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.557 ' C ' ' H ' ' C' ' 3' ' ' ALA . 37.4 mmtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt 60.14 -28.72 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.979 -0.451 . . . . 0.0 111.377 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' C' ' 1' ' ' LYS . . . -68.26 -42.62 79.35 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.596 -1.315 . . . . 0.0 109.833 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.41 -39.98 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.205 -0.935 . . . . 0.0 109.077 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -37.91 81.59 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.529 -0.732 . . . . 0.0 109.951 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.0 -45.95 91.06 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.717 -1.24 . . . . 0.0 108.695 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -42.19 94.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.797 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.09 -53.11 27.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.426 -0.796 . . . . 0.0 111.245 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.85 -40.01 76.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.972 -1.08 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 63.4 m -60.09 -46.5 89.37 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.817 -1.177 . . . . 0.0 110.193 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -69.53 -40.06 77.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.11 -0.994 . . . . 0.0 109.106 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 10.3 tp-100 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.313 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' D' ' 3' ' ' ALA . 39.6 mmtm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 60.06 -28.43 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.97 -0.456 . . . . 0.0 111.445 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' ALA . . . . . 0.564 ' H ' ' C ' ' D' ' 1' ' ' LYS . . . -68.51 -42.67 78.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.659 -1.275 . . . . 0.0 109.813 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.45 -39.99 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.306 -0.871 . . . . 0.0 108.809 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -38.03 81.8 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.428 -0.795 . . . . 0.0 109.962 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -59.75 -46.0 90.49 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.714 -1.241 . . . . 0.0 108.74 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -64.9 -42.28 94.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.145 -0.972 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -68.28 -52.8 29.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.374 -0.829 . . . . 0.0 111.274 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -69.89 -40.07 75.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.826 -1.171 . . . . 0.0 110.454 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m -60.06 -46.51 89.32 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.841 -1.162 . . . . 0.0 110.248 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -69.68 -39.88 76.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.036 -1.04 . . . . 0.0 109.079 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 10.4 tp-100 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.343 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.591 2.596 . . . . 0.0 119.591 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -107.45 -79.25 0.58 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.382 -1.069 . . . . 0.0 108.668 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 6' ' ' THR . 95.9 mt-10 -64.3 -51.02 65.53 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.643 0.735 . . . . 0.0 110.041 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD21 HD12 ' B' ' 41' ' ' LEU . 25.5 tp -60.16 -38.28 82.69 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.725 -177.355 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 88.9 tt0 -56.78 -46.42 81.53 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 122.223 1.011 . . . . 0.0 108.828 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 37.2 p -67.41 -35.05 78.5 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.62 -0.675 . . . . 0.0 110.457 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.589 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -52.29 -54.93 25.18 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.942 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.7 ppp? -59.87 -33.51 71.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.322 -1.486 . . . . 0.0 109.138 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.27 -35.12 80.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.803 . . . . 0.0 110.28 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.587 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 21.1 p -73.67 -47.36 40.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 111.131 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 70.7 mt -57.71 -41.23 81.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 111.069 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.11 -26.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.106 -0.996 . . . . 0.0 111.48 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.99 -40.04 94.28 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.35 -1.469 . . . . 0.0 109.28 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 m -79.8 -34.21 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.875 -0.516 . . . . 0.0 110.939 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' O ' ' OG ' ' A' ' 19' ' ' SER . 16.3 m-30 -60.06 -49.82 76.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.112 -0.992 . . . . 0.0 111.057 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' HIS . . . . . 0.5 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 1.5 p80 -81.03 -20.11 42.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 112.093 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -74.04 -60.26 2.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.398 -1.439 . . . . 0.0 111.966 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 2.0 p-80 -74.97 -38.86 61.57 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.152 -1.593 . . . . 0.0 110.676 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.495 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 7.3 m -61.13 -12.64 13.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 0.0 110.208 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.58 15.63 62.9 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -93.14 -71.11 0.67 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.064 -1.257 . . . . 0.0 108.531 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -114.29 83.42 1.87 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 121.338 0.59 . . . . 0.0 109.638 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.44 -154.79 23.75 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -91.83 163.23 14.12 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.242 -1.152 . . . . 0.0 108.865 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -48.69 -27.56 2.97 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.291 -0.881 . . . . 0.0 110.627 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 17.4 p90 -156.05 59.75 0.59 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.456 -1.402 . . . . 0.0 111.938 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -141.0 142.28 34.27 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 5.3 tp -98.92 150.92 21.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.788 -1.195 . . . . 0.0 110.149 -177.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.5 m -130.92 165.09 23.86 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -53.22 -44.46 68.08 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.149 -0.97 . . . . 0.0 111.574 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.68 -27.29 62.94 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.621 -1.299 . . . . 0.0 110.834 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 99.1 mt-10 -75.83 -40.05 55.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 33' ' ' LEU . 1.9 tt -60.03 -45.85 91.45 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.495 0.664 . . . . 0.0 111.33 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.656 ' N ' HD23 ' A' ' 33' ' ' LEU . 80.1 tttt -63.1 -40.0 96.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.406 -0.809 . . . . 0.0 112.301 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -75.74 -27.45 58.12 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.673 -1.267 . . . . 0.0 109.893 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD23 ' CZ ' ' A' ' 74' ' ' PHE . 48.5 tp -68.11 -39.87 82.7 Favored 'General case' 0 C--N 1.291 -1.963 0 O-C-N 121.149 -0.969 . . . . 0.0 111.852 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' A' ' 74' ' ' PHE . 26.1 mt -83.53 -37.28 23.24 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.624 -1.297 . . . . 0.0 112.467 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.1 pp0? -69.81 -33.22 72.05 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.78 -1.2 . . . . 0.0 109.832 -178.487 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.497 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 53.4 m -86.35 -65.07 1.05 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.058 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 57.2 mp0 -69.66 -55.4 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.263 -0.898 . . . . 0.0 111.875 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.633 HD13 HD22 ' A' ' 45' ' ' LEU . 1.8 mt -96.07 48.84 1.12 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 122.598 1.19 . . . . 0.0 108.105 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.3 p -65.77 -17.96 65.0 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.209 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.4 p -89.2 -8.47 53.51 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.795 -1.191 . . . . 0.0 113.382 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.85 -59.81 0.5 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.363 -1.461 . . . . 0.0 111.129 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.633 HD22 HD13 ' A' ' 41' ' ' LEU . 2.6 mp -71.38 134.76 46.9 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.801 -1.187 . . . . 0.0 108.885 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -122.24 156.03 34.63 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 48' ' ' GLN . 27.3 m -158.37 -35.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.51 ' N ' HG23 ' A' ' 47' ' ' VAL . 13.1 pt20 -73.58 -45.57 52.44 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.97 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -70.06 -34.58 73.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.658 -1.276 . . . . 0.0 109.85 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -108.83 97.78 7.37 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.494 -0.754 . . . . 0.0 110.233 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.29 70.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.925 . . . . 0.0 108.999 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.5 -40.07 90.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.051 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.09 93.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.622 -0.674 . . . . 0.0 110.852 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG22 ' HB ' ' A' ' 47' ' ' VAL . 46.9 t -67.47 -52.86 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 112.011 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -60.27 -39.71 87.81 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.761 -1.212 . . . . 0.0 110.236 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -69.25 -38.95 78.69 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.137 -0.977 . . . . 0.0 112.367 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -82.09 -51.64 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.167 -1.583 . . . . 0.0 109.929 -179.44 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.495 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 7.0 tpt -60.04 -49.74 76.47 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.194 -0.941 . . . . 0.0 112.071 -177.644 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -70.8 -36.39 72.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.544 -1.348 . . . . 0.0 109.932 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.61 -15.92 35.96 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.502 -0.749 . . . . 0.0 110.007 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 57' ' ' ILE . 62.4 tp -83.45 -14.12 53.22 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' A' ' 65' ' ' GLY . 14.9 m-20 -92.59 41.94 1.09 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 174.479 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.0 tp10 -42.2 -23.16 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.194 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -86.14 -11.12 53.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.725 -1.234 . . . . 0.0 108.153 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 90.13 32.22 9.98 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' A' ' 68' ' ' GLU . 17.4 p-10 -110.46 113.76 26.65 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.69 9.54 0.06 OUTLIER Glycine 0 N--CA 1.494 2.546 0 O-C-N 119.438 -2.039 . . . . 0.0 110.599 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.626 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.6 mt-10 -118.28 138.23 52.51 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.53 130.07 61.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 72' ' ' GLN . 66.1 t0 -87.77 126.41 34.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.939 -1.1 . . . . 0.0 109.107 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' ASP . 45.6 m-85 -23.59 -38.5 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 70' ' ' ASP . 0.8 OUTLIER -60.74 -41.38 95.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.364 -1.46 . . . . 0.0 110.094 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.6 mt-10 -70.98 -43.15 68.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.813 -1.179 . . . . 0.0 110.82 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.769 ' O ' HG22 ' A' ' 78' ' ' VAL . 17.4 t80 -61.03 -50.4 73.47 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 76' ' ' VAL . 10.0 p -59.97 -40.03 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-O 121.086 0.47 . . . . 0.0 111.615 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.474 ' N ' HG13 ' A' ' 75' ' ' VAL . 26.4 t -61.44 -59.46 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 111.421 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.6 -50.74 62.05 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.573 -1.33 . . . . 0.0 112.665 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 74' ' ' PHE . 16.6 m -59.98 -39.16 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 112.452 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.553 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.36 -25.96 63.51 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.304 -0.873 . . . . 0.0 110.193 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.03 94.53 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.02 -37.25 87.0 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.865 -0.522 . . . . 0.0 110.113 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -52.64 64.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.971 -1.08 . . . . 0.0 110.738 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -68.07 -39.36 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.222 -0.924 . . . . 0.0 110.651 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-O 121.454 0.645 . . . . 0.0 110.462 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.2 m -60.06 -40.03 88.07 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.12 -39.94 87.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 110.552 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.36 -40.79 92.02 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.785 -1.197 . . . . 0.0 110.847 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -80.02 -17.15 53.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.965 -1.084 . . . . 0.0 109.37 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -60.04 -44.74 94.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.205 -0.934 . . . . 0.0 109.326 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.82 -41.93 96.7 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.31 -0.868 . . . . 0.0 109.593 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.68 -19.89 66.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.395 -0.816 . . . . 0.0 109.247 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -95.04 20.2 9.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.294 -0.879 . . . . 0.0 108.775 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 C--N 1.302 -1.492 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.734 -179.749 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.431 ' O ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.957 0 N-CA-C 119.753 2.661 . . . . 0.0 119.753 . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -107.48 -79.58 0.57 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.412 -1.052 . . . . 0.0 108.78 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.474 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.5 mt-10 -64.3 -51.07 65.3 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.555 0.693 . . . . 0.0 110.126 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 41' ' ' LEU . 25.6 tp -60.08 -38.37 82.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.684 -0.635 . . . . 0.0 109.85 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 5' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 88.9 tt0 -56.74 -46.32 81.45 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 122.211 1.005 . . . . 0.0 108.801 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 36.8 p -67.47 -33.87 76.01 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.638 -0.663 . . . . 0.0 110.517 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.587 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.94 -53.76 48.33 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.339 -0.851 . . . . 0.0 110.776 -175.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.6 ppp? -60.07 -33.73 72.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.601 -1.312 . . . . 0.0 109.006 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.03 -35.4 81.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.548 -0.72 . . . . 0.0 110.242 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.589 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 21.7 p -73.52 -47.19 42.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 111.161 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 68.5 mt -58.32 -40.38 81.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.343 -0.848 . . . . 0.0 111.117 -178.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mt -78.91 -28.64 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.078 -1.014 . . . . 0.0 111.134 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.3 -39.96 88.79 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.586 -1.321 . . . . 0.0 109.496 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.455 ' H ' HG22 ' B' ' 14' ' ' VAL . 7.8 m -80.27 -34.01 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.871 -0.518 . . . . 0.0 111.029 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 16.0 m-30 -60.0 -49.87 75.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.104 -0.997 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.493 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 1.6 p80 -80.89 -20.35 42.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.956 -1.09 . . . . 0.0 112.131 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' ALA . . . . . 0.474 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -73.77 -60.25 2.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.441 -1.412 . . . . 0.0 112.053 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 2.0 p-80 -75.04 -38.6 61.38 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.139 -1.601 . . . . 0.0 110.781 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 8.2 m -61.39 -12.8 15.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.168 -0.958 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.45 15.73 62.63 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -93.24 -71.25 0.66 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.113 -1.228 . . . . 0.0 108.509 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.4 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 28.8 mt-10 -114.0 83.81 1.93 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.808 -0.558 . . . . 0.0 109.66 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.81 -155.14 24.82 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -91.72 163.04 14.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.302 -1.116 . . . . 0.0 108.969 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -48.36 -27.28 2.48 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.711 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.555 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 16.9 p90 -156.38 59.66 0.56 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.341 -1.475 . . . . 0.0 111.976 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -140.91 142.46 34.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.502 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 5.4 tp -99.02 151.14 21.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.81 -1.182 . . . . 0.0 110.158 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 69.6 m -131.94 163.36 28.53 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.638 -0.664 . . . . 0.0 109.435 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -51.61 -44.58 62.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.055 -1.028 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.31 -26.73 62.06 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.464 -1.398 . . . . 0.0 110.705 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.534 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 99.1 mt-10 -75.82 -39.97 55.8 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.697 HD23 ' C ' ' B' ' 33' ' ' LEU . 1.7 tt -60.39 -45.17 94.5 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.305 0.574 . . . . 0.0 111.246 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.656 ' N ' HD23 ' B' ' 33' ' ' LEU . 80.3 tttt -63.75 -40.01 95.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.465 -0.772 . . . . 0.0 112.25 -177.193 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.49 -27.67 58.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.75 -1.218 . . . . 0.0 109.928 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' B' ' 74' ' ' PHE . 50.5 tp -67.99 -39.7 83.21 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 121.184 -0.947 . . . . 0.0 111.839 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.477 HD22 HD23 ' B' ' 45' ' ' LEU . 27.4 mt -83.63 -37.27 23.08 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.633 -1.292 . . . . 0.0 112.422 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.1 pp0? -69.99 -33.02 71.51 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.687 -1.258 . . . . 0.0 109.774 -178.248 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.504 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 52.7 m -86.55 -65.38 1.02 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.423 -0.798 . . . . 0.0 112.013 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 57.1 mp0 -69.33 -55.63 9.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.341 -0.849 . . . . 0.0 111.785 -177.329 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.619 HD13 HD22 ' B' ' 45' ' ' LEU . 1.8 mt -95.91 49.03 1.14 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.776 -1.203 . . . . 0.0 108.025 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 77.4 p -65.95 -17.82 64.92 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.233 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 92.8 p -89.35 -8.23 53.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.797 -1.189 . . . . 0.0 113.279 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -141.08 -59.54 0.5 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.317 -1.489 . . . . 0.0 111.185 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.619 HD22 HD13 ' B' ' 41' ' ' LEU . 2.6 mp -71.7 135.38 46.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.694 -1.253 . . . . 0.0 108.781 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.76 156.31 34.72 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.506 HG23 ' N ' ' B' ' 48' ' ' GLN . 27.5 m -158.87 -34.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.506 ' N ' HG23 ' B' ' 47' ' ' VAL . 13.2 pt20 -73.91 -45.02 53.27 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.827 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -70.66 -34.81 72.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.658 -1.276 . . . . 0.0 109.686 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -108.57 97.82 7.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.463 -0.773 . . . . 0.0 110.262 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.16 71.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.233 -0.917 . . . . 0.0 108.985 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.64 -40.03 90.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.37 -0.831 . . . . 0.0 108.962 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.38 88.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.693 -0.629 . . . . 0.0 111.245 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.41 HG22 ' HB ' ' B' ' 47' ' ' VAL . 44.3 t -69.15 -52.7 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 111.927 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.96 -40.02 87.62 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 120.805 -1.184 . . . . 0.0 110.273 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.11 -39.16 79.11 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.03 -1.044 . . . . 0.0 112.388 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -81.93 -52.11 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 120.184 -1.572 . . . . 0.0 109.775 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 7.2 tpt -59.9 -49.54 77.31 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.087 -1.008 . . . . 0.0 112.033 -177.552 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -70.66 -36.63 73.45 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.482 -1.386 . . . . 0.0 109.901 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.45 -16.03 35.99 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.462 -0.774 . . . . 0.0 110.055 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' B' ' 57' ' ' ILE . 63.7 tp -83.23 -14.14 53.86 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' B' ' 65' ' ' GLY . 14.5 m-20 -92.6 41.88 1.09 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.0 tp10 -42.16 -23.21 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 111.934 -2.394 . . . . 0.0 110.273 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -86.03 -11.25 53.38 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.793 -1.192 . . . . 0.0 108.131 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 90.25 31.61 10.51 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.613 ' C ' ' H ' ' B' ' 68' ' ' GLU . 16.8 p-10 -109.87 114.02 27.23 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.76 9.47 0.06 OUTLIER Glycine 0 N--CA 1.491 2.302 0 O-C-N 119.449 -2.032 . . . . 0.0 110.448 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.613 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.9 mt-10 -117.9 139.16 51.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.68 130.35 61.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' B' ' 72' ' ' GLN . 66.2 t0 -87.69 126.62 35.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.829 -1.169 . . . . 0.0 108.973 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' B' ' 70' ' ' ASP . 44.4 m-85 -23.86 -38.65 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -60.28 -41.86 94.23 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.344 -1.472 . . . . 0.0 110.016 179.572 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 70' ' ' ASP . 98.7 mt-10 -70.84 -43.35 68.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.801 -1.187 . . . . 0.0 110.797 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.783 ' O ' HG22 ' B' ' 78' ' ' VAL . 19.6 t80 -60.32 -50.7 72.6 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.475 HG13 ' N ' ' B' ' 76' ' ' VAL . 9.8 p -59.97 -39.98 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 CA-C-O 121.033 0.444 . . . . 0.0 111.676 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.475 ' N ' HG13 ' B' ' 75' ' ' VAL . 25.1 t -61.53 -59.21 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.029 -1.044 . . . . 0.0 111.395 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.71 -50.76 61.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.655 -1.278 . . . . 0.0 112.691 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.783 HG22 ' O ' ' B' ' 74' ' ' PHE . 17.6 m -60.08 -39.34 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.141 -0.974 . . . . 0.0 112.428 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.558 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.06 -26.13 63.87 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.339 -0.851 . . . . 0.0 110.519 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.53 87.02 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.97 -38.82 83.62 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.325 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -60.16 -52.73 64.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.84 -1.163 . . . . 0.0 110.881 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -39.25 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.14 -0.975 . . . . 0.0 110.761 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.02 88.48 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.471 0.653 . . . . 0.0 110.497 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.291 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.19 -39.94 88.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.451 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.2 -40.95 91.86 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.934 -1.104 . . . . 0.0 110.757 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -79.96 -16.94 54.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.993 -1.067 . . . . 0.0 109.487 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.08 -45.11 94.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.352 -0.843 . . . . 0.0 109.278 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.4 -41.89 94.83 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.288 -0.882 . . . . 0.0 109.709 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.94 -19.78 66.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.359 -0.838 . . . . 0.0 109.182 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -95.14 20.19 9.48 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 C--N 1.301 -1.521 0 CA-C-O 118.047 -0.977 . . . . 0.0 109.707 -179.722 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.44 ' HD2' ' H1 ' ' C' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -60.92 -38.34 85.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.65 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.37 89.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 109.344 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.84 -40.0 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.039 -1.038 . . . . 0.0 108.822 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.594 ' HE1' HD12 ' A' ' 77' ' ' LEU . 37.7 m0 -62.48 -34.07 76.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.501 -0.749 . . . . 0.0 110.372 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -49.97 -42.48 48.9 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.743 -1.223 . . . . 0.0 108.941 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -60.01 -49.05 79.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.98 -48.66 75.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.727 -0.608 . . . . 0.0 110.614 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.417 ' N ' HD23 ' C' ' 9' ' ' LEU . 5.8 mt -69.39 -38.81 78.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.884 -1.135 . . . . 0.0 109.545 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -59.94 -47.4 85.93 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -69.4 -39.96 77.63 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.126 -0.984 . . . . 0.0 109.761 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 30.1 mt-30 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.37 179.808 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -61.0 -38.38 85.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.332 -0.855 . . . . 0.0 109.663 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.37 88.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 109.414 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.85 -40.02 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.067 -1.02 . . . . 0.0 108.962 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 5' ' ' TRP . . . . . 0.606 ' HE1' HD12 ' B' ' 77' ' ' LEU . 38.2 m0 -62.45 -34.27 76.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.596 -0.69 . . . . 0.0 110.424 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -49.77 -42.68 47.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.735 -1.228 . . . . 0.0 108.938 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.0 -48.93 79.7 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.84 -48.86 75.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.634 -0.667 . . . . 0.0 110.631 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.404 ' N ' HD23 ' D' ' 9' ' ' LEU . 6.0 mt -69.28 -38.84 78.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 109.568 -178.547 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 20.5 p -59.93 -47.52 85.46 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.127 -0.983 . . . . 0.0 110.491 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -69.19 -39.89 78.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.178 -0.951 . . . . 0.0 109.773 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.423 ' NE2' ' CE2' ' B' ' 44' ' ' PHE . 30.1 mt-30 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.378 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.531 2.572 . . . . 0.0 119.531 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -106.62 -8.79 16.8 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.464 -1.021 . . . . 0.0 109.206 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 52.2 mp0 -59.87 -52.32 65.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.12 -36.64 77.91 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.176 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -56.43 -49.13 75.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.046 -1.034 . . . . 0.0 108.847 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.4 p -64.02 -32.96 74.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.71 -0.619 . . . . 0.0 110.865 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -56.98 -49.19 76.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.249 -0.907 . . . . 0.0 110.719 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ttt -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.715 -1.24 . . . . 0.0 109.225 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.2 mm-40 -61.09 -39.8 91.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.715 . . . . 0.0 110.314 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.536 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 11.4 p -69.2 -45.86 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.658 -0.651 . . . . 0.0 111.355 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.07 -40.89 91.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.311 -0.868 . . . . 0.0 111.215 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mt -81.97 -36.57 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.359 -0.838 . . . . 0.0 112.487 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 16.0 m120 -60.13 -39.92 87.97 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.362 -1.461 . . . . 0.0 109.189 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 p -80.03 -32.75 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.81 -0.556 . . . . 0.0 110.571 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -60.04 -56.25 23.99 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.093 -1.004 . . . . 0.0 111.232 -179.289 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.01 -23.51 63.14 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.818 -0.551 . . . . 0.0 111.1 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.24 -60.28 2.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.77 -1.206 . . . . 0.0 110.834 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' NE2' ' OE2' ' A' ' 40' ' ' GLU . 56.4 m-70 -70.56 -40.08 73.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.403 -1.435 . . . . 0.0 111.521 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.613 ' OG ' HD11 ' A' ' 28' ' ' LEU . 51.2 m -64.88 -12.04 44.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.993 -1.067 . . . . 0.0 110.256 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.27 12.96 60.25 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -93.63 -74.93 0.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.252 -1.146 . . . . 0.0 108.973 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -106.99 88.06 2.65 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.74 -151.17 20.87 Favored Glycine 0 N--CA 1.492 2.369 0 C-N-CA 119.598 -1.287 . . . . 0.0 110.109 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -97.85 169.98 9.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.413 -1.051 . . . . 0.0 109.094 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -53.01 -39.99 63.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.896 . . . . 0.0 111.586 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CE1' ' CZ ' ' A' ' 71' ' ' PHE . 26.4 t80 -147.91 49.94 1.05 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.192 -1.567 . . . . 0.0 112.363 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 140.44 36.16 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.613 HD11 ' OG ' ' A' ' 19' ' ' SER . 3.6 mm? -98.41 152.4 19.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.68 -1.263 . . . . 0.0 110.779 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.1 p -126.41 161.66 27.36 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -46.57 -44.09 17.72 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.001 -1.062 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -69.95 -29.56 66.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.009 -1.057 . . . . 0.0 111.749 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' A' ' 29' ' ' SER . 47.6 mt-10 -76.59 -35.51 58.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.629 -1.294 . . . . 0.0 107.678 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 47.1 tp -59.95 -49.55 77.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.671 -0.643 . . . . 0.0 110.793 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.26 -35.68 72.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.121 -0.987 . . . . 0.0 110.253 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 48.4 t0 -70.0 -28.8 65.81 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.266 -0.896 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 32' ' ' GLU . 1.1 mm? -66.93 -43.11 84.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.118 -0.989 . . . . 0.0 112.675 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.915 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -87.56 -32.01 19.58 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 120.519 -1.363 . . . . 0.0 113.293 -177.839 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.2 pt20 -77.65 -39.98 43.23 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.643 -1.286 . . . . 0.0 111.693 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 27.1 m -85.54 -50.53 7.18 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.302 -0.874 . . . . 0.0 112.375 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' A' ' 18' ' ' HIS . 71.3 mm-40 -87.18 -49.73 7.09 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.17 35.74 0.99 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.726 -1.234 . . . . 0.0 111.394 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 43' ' ' SER . 47.5 t -50.02 132.24 23.12 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.6 t 154.33 -41.89 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 118.89 0.768 . . . . 0.0 110.608 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -164.0 -40.77 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.777 -1.202 . . . . 0.0 110.849 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' N ' HD22 ' A' ' 45' ' ' LEU . 4.0 mm? -56.9 129.51 41.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.534 -1.266 . . . . 0.0 107.716 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -118.09 146.87 43.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.844 -1.16 . . . . 0.0 108.622 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 48' ' ' GLN . 4.7 m -152.47 -37.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 47' ' ' VAL . 26.8 mt-30 -70.05 -60.26 2.4 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.04 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -70.37 -32.7 70.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.846 -1.159 . . . . 0.0 110.454 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 12.1 p-10 -88.41 84.28 6.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.457 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.06 94.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.661 -0.649 . . . . 0.0 109.862 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.99 87.74 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 109.09 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.22 91.86 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.419 -0.8 . . . . 0.0 111.453 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.68 -56.25 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.956 -1.09 . . . . 0.0 111.529 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.313 -1.492 . . . . 0.0 111.401 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.04 -39.92 75.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 112.468 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -78.23 -50.04 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.862 -1.149 . . . . 0.0 110.396 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.6 tpt -61.84 -43.43 98.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.436 -0.79 . . . . 0.0 111.524 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.78 -35.22 72.49 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.949 -1.094 . . . . 0.0 110.341 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -93.01 -27.05 17.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 0.0 109.97 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' ILE . 39.4 tp -71.11 -35.08 71.66 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.547 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 18.7 t0 -76.91 57.05 1.27 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 103.617 -2.734 . . . . 0.0 103.617 174.541 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' A' ' 61' ' ' LEU . 21.9 pt-20 -50.03 -19.91 0.83 Allowed 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 111.241 -2.709 . . . . 0.0 110.438 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -85.49 2.32 45.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.37 37.08 86.64 Favored Glycine 0 N--CA 1.497 2.703 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.22 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.456 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 4.0 p-10 -100.89 -10.61 20.5 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.756 -1.438 . . . . 0.0 110.425 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.77 -5.68 73.81 Favored Glycine 0 N--CA 1.499 2.866 0 O-C-N 120.576 -1.328 . . . . 0.0 110.25 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 97.9 mt-10 -119.99 143.99 47.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.15 133.13 47.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 O-C-N 121.107 -0.995 . . . . 0.0 111.211 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.8 t0 -78.73 154.38 30.09 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CZ ' ' CE1' ' A' ' 26' ' ' TYR . 13.0 m-85 -59.6 -39.22 83.49 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.972 -1.08 . . . . 0.0 108.673 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -40.05 87.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.16 -0.963 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -68.21 -40.05 82.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.512 -1.368 . . . . 0.0 110.554 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.739 ' O ' HG22 ' A' ' 78' ' ' VAL . 44.2 t80 -64.41 -53.3 50.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.593 -0.692 . . . . 0.0 112.432 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.32 -32.01 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.87 -0.518 . . . . 0.0 111.65 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.03 -58.15 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.145 -0.972 . . . . 0.0 111.749 -178.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.594 HD12 ' HE1' ' C' ' 5' ' ' TRP . 8.8 tt -67.39 -43.3 81.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.915 -1.116 . . . . 0.0 112.551 -176.495 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 74' ' ' PHE . 29.7 m -64.21 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 120.954 -1.091 . . . . 0.0 111.367 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.546 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -78.57 -27.14 45.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.154 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -24.97 65.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.018 -1.051 . . . . 0.0 109.665 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.0 mt -92.31 -38.67 11.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.239 -0.913 . . . . 0.0 109.775 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.5 t -61.6 -47.04 87.25 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.02 -1.05 . . . . 0.0 110.095 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.5 p -76.91 -40.71 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 110.563 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.471 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -60.06 -33.25 71.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 109.975 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.4 t -67.55 -39.93 84.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 109.671 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.478 ' ND2' ' OD1' ' A' ' 92' ' ' ASN . 4.1 m120 -61.04 -40.15 92.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.17 -0.957 . . . . 0.0 110.648 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -60.43 -46.95 88.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.073 -1.017 . . . . 0.0 111.074 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -64.07 -40.02 95.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.005 -1.06 . . . . 0.0 110.833 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.11 105.55 15.88 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.13 -0.982 . . . . 0.0 109.224 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -69.94 -29.62 66.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.315 -0.866 . . . . 0.0 110.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -69.63 -21.7 63.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.478 ' OD1' ' ND2' ' A' ' 86' ' ' ASN . 27.3 t-20 -77.1 -1.42 29.03 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.302 -1.489 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.424 -179.792 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.408 ' N ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.844 0 N-CA-C 119.602 2.601 . . . . 0.0 119.602 . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -106.26 -8.82 17.12 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.438 -1.036 . . . . 0.0 109.224 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 51.7 mp0 -60.01 -52.24 66.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.352 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.05 -36.85 78.23 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.536 -0.727 . . . . 0.0 110.238 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.35 -48.91 75.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.038 -1.039 . . . . 0.0 108.954 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 22.8 p -64.3 -31.74 73.06 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 110.736 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.536 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -58.35 -48.38 80.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.211 -0.931 . . . . 0.0 110.568 -176.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.045 -1.034 . . . . 0.0 109.119 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.0 mm-40 -61.09 -39.96 91.89 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.595 0.712 . . . . 0.0 110.275 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 10.8 p -68.94 -45.99 69.38 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.599 -0.688 . . . . 0.0 111.341 -177.767 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.03 -41.12 91.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.387 -0.821 . . . . 0.0 111.318 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mt -81.28 -37.39 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 112.353 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.8 m120 -59.93 -40.08 87.72 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.324 -1.485 . . . . 0.0 109.178 -178.875 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.69 -32.88 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.793 -0.567 . . . . 0.0 110.565 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.457 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -59.88 -56.28 23.66 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.016 -1.053 . . . . 0.0 111.345 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -69.94 -23.34 63.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.818 -0.551 . . . . 0.0 111.174 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 -60.11 2.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.732 -1.23 . . . . 0.0 110.802 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.517 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 55.8 m-70 -70.59 -40.04 73.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.429 -1.419 . . . . 0.0 111.56 -178.308 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.604 ' OG ' HD11 ' B' ' 28' ' ' LEU . 51.6 m -64.98 -11.87 43.65 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.068 -1.02 . . . . 0.0 110.283 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.4 12.55 59.99 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -93.26 -74.9 0.51 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.211 -1.17 . . . . 0.0 109.047 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -107.03 87.94 2.62 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.21 -150.97 20.38 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.582 -1.294 . . . . 0.0 110.18 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -97.98 170.0 9.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.419 -1.048 . . . . 0.0 109.144 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -53.13 -40.07 63.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 111.583 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.609 ' CE1' ' CZ ' ' B' ' 71' ' ' PHE . 26.8 t80 -147.92 49.98 1.05 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.159 -1.588 . . . . 0.0 112.229 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 140.58 36.37 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 105.963 -1.865 . . . . 0.0 105.963 175.346 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.604 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.6 mm? -98.61 152.22 19.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.764 -1.21 . . . . 0.0 110.863 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.481 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 78.6 p -126.23 161.31 28.03 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.973 -1.079 . . . . 0.0 110.513 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.03 -28.94 65.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.935 -1.103 . . . . 0.0 111.659 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.481 ' HB2' ' H ' ' B' ' 29' ' ' SER . 47.1 mt-10 -76.85 -35.44 57.49 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 118.339 -1.344 . . . . 0.0 107.666 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' B' ' 37' ' ' LEU . 50.6 tp -59.93 -49.69 76.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.731 -0.606 . . . . 0.0 110.885 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.18 -35.62 71.87 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.024 -1.047 . . . . 0.0 110.182 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 48.6 t0 -70.03 -28.78 65.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 32' ' ' GLU . 1.1 mm? -66.89 -43.22 83.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.054 -1.029 . . . . 0.0 112.727 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.941 HD22 ' H ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -87.69 -30.85 20.07 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.646 -1.284 . . . . 0.0 113.405 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' B' ' 39' ' ' THR . 13.4 pt20 -78.61 -39.94 35.86 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.486 -1.384 . . . . 0.0 111.678 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 30.0 m -85.38 -50.45 7.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.366 -0.834 . . . . 0.0 112.241 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 71.1 mm-40 -87.47 -49.53 7.15 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -175.365 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.37 35.78 1.01 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.708 -1.245 . . . . 0.0 111.295 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 47.6 t -50.0 132.3 23.06 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 176.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.6 t 154.21 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 118.899 0.772 . . . . 0.0 110.561 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.423 ' CE2' ' NE2' ' D' ' 12' ' ' GLN . 55.6 t80 -164.21 -40.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.85 -1.156 . . . . 0.0 110.918 -178.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 45' ' ' LEU . 4.0 mm? -57.19 129.57 42.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.635 -1.291 . . . . 0.0 107.679 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -118.27 146.84 43.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.79 -1.194 . . . . 0.0 108.62 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 48' ' ' GLN . 4.9 m -152.53 -37.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.467 ' N ' HG23 ' B' ' 47' ' ' VAL . 26.8 mt-30 -70.02 -60.27 2.39 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.019 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -70.39 -32.7 70.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.812 -1.18 . . . . 0.0 110.541 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 11.3 p-10 -88.23 83.94 6.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 0.0 109.448 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.96 93.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.632 -0.667 . . . . 0.0 109.897 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.04 -40.0 87.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.256 -0.903 . . . . 0.0 109.026 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.47 83.74 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.425 -0.797 . . . . 0.0 111.955 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -56.06 11.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.78 -1.2 . . . . 0.0 111.446 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.35 -43.69 96.98 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.491 -1.381 . . . . 0.0 111.351 -176.697 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -70.02 -40.06 75.45 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.464 -0.772 . . . . 0.0 112.445 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.1 mt -78.04 -50.12 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.806 -1.183 . . . . 0.0 110.411 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 7.1 tpt -62.33 -42.97 99.82 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.319 -0.863 . . . . 0.0 111.43 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.91 -34.82 71.91 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.932 -1.105 . . . . 0.0 110.383 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -93.36 -27.14 16.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.15 -0.968 . . . . 0.0 109.912 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' B' ' 57' ' ' ILE . 39.7 tp -70.97 -35.14 72.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 18.2 t0 -76.89 56.98 1.25 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.599 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.547 ' H ' ' C ' ' B' ' 61' ' ' LEU . 21.9 pt-20 -49.93 -20.03 0.83 Allowed 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 111.229 -2.714 . . . . 0.0 110.45 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -85.22 1.8 46.59 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.69 34.78 83.56 Favored Glycine 0 N--CA 1.498 2.77 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.287 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.1 p-10 -99.33 -10.83 21.82 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.779 -1.424 . . . . 0.0 110.507 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.85 -5.58 74.69 Favored Glycine 0 N--CA 1.497 2.753 0 O-C-N 120.703 -1.248 . . . . 0.0 110.251 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.02 143.43 48.08 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.5 t -101.95 133.16 46.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 O-C-N 121.048 -1.033 . . . . 0.0 111.408 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.3 t0 -78.86 154.27 29.92 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CE1' ' B' ' 26' ' ' TYR . 12.8 m-85 -59.58 -39.15 83.18 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.12 -0.987 . . . . 0.0 108.67 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.21 -40.0 88.59 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.115 -0.991 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -68.32 -39.98 81.8 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.598 -1.314 . . . . 0.0 110.572 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.73 ' O ' HG22 ' B' ' 78' ' ' VAL . 41.6 t80 -64.35 -53.67 45.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.576 -0.703 . . . . 0.0 112.236 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.03 -32.06 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.858 -0.527 . . . . 0.0 111.741 -177.112 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.0 -58.19 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.081 -1.012 . . . . 0.0 111.784 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.606 HD12 ' HE1' ' D' ' 5' ' ' TRP . 8.9 tt -67.1 -43.17 83.2 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.994 -1.066 . . . . 0.0 112.558 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.73 HG22 ' O ' ' B' ' 74' ' ' PHE . 28.8 m -64.75 -38.16 81.98 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 O-C-N 120.858 -1.152 . . . . 0.0 111.402 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.553 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -78.61 -27.39 45.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.452 -0.78 . . . . 0.0 110.141 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.15 63.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.96 -1.087 . . . . 0.0 110.107 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.15 -39.2 10.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.369 -0.832 . . . . 0.0 109.454 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.5 t -61.47 -46.84 88.34 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.062 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.483 HG13 ' N ' ' B' ' 84' ' ' ALA . 7.7 p -77.04 -40.92 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.018 -1.051 . . . . 0.0 110.503 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.483 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -59.98 -33.36 71.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.248 -0.908 . . . . 0.0 110.048 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.36 -40.02 85.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.403 -0.81 . . . . 0.0 109.721 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.472 ' ND2' ' OD1' ' B' ' 92' ' ' ASN . 4.0 m120 -60.85 -40.12 91.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 110.656 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.6 -46.88 88.59 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.029 -1.045 . . . . 0.0 111.151 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -64.08 -40.07 95.44 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.053 -1.029 . . . . 0.0 110.856 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.02 105.48 15.81 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.164 -0.96 . . . . 0.0 109.175 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -69.99 -29.3 66.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 0.0 110.454 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -69.9 -21.54 63.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.098 -1.001 . . . . 0.0 109.74 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.472 ' OD1' ' ND2' ' B' ' 86' ' ' ASN . 27.3 t-20 -77.27 -1.02 27.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.252 -0.905 . . . . 0.0 109.425 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.301 -1.513 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.392 -179.751 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 53.3 tttp . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.246 0.546 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -60.02 -42.25 93.95 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.85 -24.35 38.46 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.913 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 81.8 t -61.06 -40.93 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.028 -1.045 . . . . 0.0 109.646 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.472 ' CH2' ' CD1' ' A' ' 77' ' ' LEU . 39.6 m95 -62.12 -45.34 93.9 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.209 -0.932 . . . . 0.0 110.609 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 6' ' ' HIS . . . . . 0.425 ' O ' ' OG ' ' C' ' 10' ' ' SER . 81.3 t60 -59.91 -46.35 89.64 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -0.965 . . . . 0.0 111.227 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.88 -49.91 75.86 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.61 -1.306 . . . . 0.0 111.262 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 50.7 tp -73.27 -53.54 10.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.981 -1.075 . . . . 0.0 111.627 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 2.6 mp -70.03 -40.02 75.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.993 -1.067 . . . . 0.0 111.774 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 10' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' C' ' 6' ' ' HIS . 24.0 p -67.98 -39.98 83.19 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.402 -1.436 . . . . 0.0 109.662 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -67.81 -40.05 83.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.241 -0.912 . . . . 0.0 109.121 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.196 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 52.2 tttp . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.245 0.545 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -59.98 -42.22 93.72 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.09 -24.1 37.98 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.947 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.18 -40.78 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.837 -1.164 . . . . 0.0 109.713 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 5' ' ' TRP . . . . . 0.424 ' CH2' ' CD1' ' B' ' 77' ' ' LEU . 37.7 m95 -62.23 -45.41 93.48 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.226 -0.921 . . . . 0.0 110.588 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.411 ' O ' ' CB ' ' D' ' 10' ' ' SER . 81.4 t60 -59.94 -46.31 89.81 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.179 -0.951 . . . . 0.0 111.222 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -60.04 -49.6 77.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.611 -1.306 . . . . 0.0 111.265 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 51.5 tp -73.39 -53.56 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.007 -1.058 . . . . 0.0 111.594 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.544 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.7 mp -70.04 -40.0 75.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.946 -1.096 . . . . 0.0 111.781 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 10' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' D' ' 6' ' ' HIS . 23.4 p -67.97 -40.0 83.23 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.33 -1.481 . . . . 0.0 109.579 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -67.94 -40.03 83.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.305 -0.872 . . . . 0.0 109.12 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.29 179.671 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.87 0 N-CA-C 119.669 2.628 . . . . 0.0 119.669 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p -107.63 2.12 23.69 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.556 -0.967 . . . . 0.0 108.684 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.77 -54.86 36.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 110.383 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.559 ' CG ' HG21 ' B' ' 14' ' ' VAL . 82.6 mt -59.39 -40.06 85.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.374 -0.829 . . . . 0.0 110.585 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -42.48 66.4 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.707 HG22 HG21 ' B' ' 10' ' ' THR . 0.3 OUTLIER -71.54 -33.84 69.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.646 179.084 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.09 -52.8 59.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 109.761 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.262 -0.899 . . . . 0.0 111.009 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 74.8 mm-40 -62.18 -40.02 94.62 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.966 -1.084 . . . . 0.0 110.547 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.691 HG21 HG22 ' B' ' 6' ' ' THR . 2.3 p -69.92 -44.63 69.23 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.661 0.743 . . . . 0.0 110.479 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 94.6 mt -60.03 -41.91 93.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.85 -0.531 . . . . 0.0 112.131 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mt -82.47 -26.48 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.904 -1.123 . . . . 0.0 111.289 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 -62.48 -40.01 95.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.453 -1.404 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 m -83.57 -35.13 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.788 -0.57 . . . . 0.0 111.275 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.1 m-30 -59.9 -52.62 64.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.883 -1.136 . . . . 0.0 110.73 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -77.27 -24.95 50.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.392 -0.817 . . . . 0.0 111.539 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.28 -60.46 2.22 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.49 -1.381 . . . . 0.0 110.816 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -70.41 -39.69 74.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.833 -1.167 . . . . 0.0 111.436 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 35.0 t -57.08 -18.36 14.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.071 -1.018 . . . . 0.0 110.833 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.99 20.06 9.97 Favored Glycine 0 N--CA 1.504 3.169 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -68.12 -23.43 64.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.066 -1.256 . . . . 0.0 109.712 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -100.02 9.08 43.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.191 -0.943 . . . . 0.0 109.879 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.25 31.84 50.38 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -96.41 44.7 1.06 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.341 -1.094 . . . . 0.0 109.816 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 49.48 -128.0 2.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.885 -1.134 . . . . 0.0 108.79 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 25.6 p90 -128.38 77.92 1.8 Allowed 'General case' 0 N--CA 1.5 2.033 0 CA-C-O 122.46 1.124 . . . . 0.0 109.775 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' A' ' 19' ' ' SER . 48.7 tptt -143.27 142.39 31.35 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 28' ' ' LEU . 34.0 tp -94.05 148.18 22.42 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 28.7 t -131.38 165.59 23.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.521 -0.737 . . . . 0.0 109.414 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -57.19 -41.11 78.71 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.726 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -74.46 -32.05 62.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.507 -1.371 . . . . 0.0 109.937 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -75.61 -40.78 55.87 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.695 ' C ' HD23 ' A' ' 33' ' ' LEU . 2.4 tt -59.99 -45.81 91.5 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.583 0.706 . . . . 0.0 111.364 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.611 ' N ' HD23 ' A' ' 33' ' ' LEU . 83.2 tttt -62.56 -44.41 96.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.546 -0.721 . . . . 0.0 112.266 -177.251 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 56.9 t0 -72.13 -28.77 63.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.358 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.9 tp -62.03 -39.98 94.16 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.548 -0.72 . . . . 0.0 111.513 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.89 -35.26 22.28 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.674 -1.266 . . . . 0.0 113.648 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' A' ' 39' ' ' THR . 3.5 pt20 -70.03 -40.05 75.4 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.394 -1.441 . . . . 0.0 110.998 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 69.1 m -78.04 -58.07 3.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.478 -177.185 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.59 ' CB ' HD12 ' B' ' 4' ' ' LEU . 57.4 mp0 -73.46 -51.24 17.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.295 -0.878 . . . . 0.0 111.089 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -101.8 66.22 1.04 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.081 -1.012 . . . . 0.0 108.712 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.9 t -79.82 -20.85 45.13 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -103.03 -5.22 23.58 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 120.699 -1.251 . . . . 0.0 112.845 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.09 -93.41 0.47 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.629 -1.294 . . . . 0.0 110.073 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.04 130.6 47.53 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.192 -0.943 . . . . 0.0 108.521 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.83 166.88 14.85 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 54' ' ' VAL . 7.5 m -154.82 -38.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.478 ' N ' HG23 ' A' ' 47' ' ' VAL . 27.5 mt-30 -70.13 -35.98 74.46 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.663 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' NZ ' ' OD2' ' A' ' 50' ' ' ASP . 18.9 pttp -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.533 -1.354 . . . . 0.0 110.724 -177.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 86.5 m-20 -123.67 120.31 32.37 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.397 -0.814 . . . . 0.0 110.18 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.89 -32.25 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 3.3 p30 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.96 -39.95 94.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.283 -0.886 . . . . 0.0 110.836 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 47' ' ' VAL . 54.6 t -69.99 -56.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.309 -0.87 . . . . 0.0 112.281 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 65.8 t0 -64.74 -41.51 95.89 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 120.661 -1.274 . . . . 0.0 111.311 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.01 -38.77 76.05 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.905 -1.122 . . . . 0.0 111.639 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 88.7 mt -76.28 -53.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.181 -0.949 . . . . 0.0 110.288 -178.219 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -44.46 96.85 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 112.665 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -70.03 -37.71 75.66 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.642 -1.286 . . . . 0.0 109.895 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -86.94 -15.96 37.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.047 -1.033 . . . . 0.0 108.904 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' C ' ' H ' ' A' ' 63' ' ' GLU . 54.0 tp -89.88 -15.61 31.81 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.579 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 10.2 t70 -92.13 51.14 1.75 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 102.695 -3.076 . . . . 0.0 102.695 174.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.2 tt0 -49.42 -26.03 2.98 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 110.472 -3.058 . . . . 0.0 111.032 -177.255 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 60.9 t30 -82.44 -2.36 52.96 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.34 32.35 83.89 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.108 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 15.6 p-10 -99.02 -11.91 21.07 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.845 -1.385 . . . . 0.0 109.785 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.579 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.92 -11.63 46.87 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.816 -1.177 . . . . 0.0 110.549 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 96.9 mt-10 -126.91 141.2 51.87 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.939 HG12 ' H ' ' A' ' 71' ' ' PHE . 53.3 t -102.27 143.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.605 -0.684 . . . . 0.0 109.962 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 48.7 t0 -90.68 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.939 ' H ' HG12 ' A' ' 69' ' ' VAL . 38.3 m-85 101.92 -25.27 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.25 -40.14 74.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.576 -1.327 . . . . 0.0 108.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HB2' HG13 ' A' ' 69' ' ' VAL . 96.0 mt-10 -72.09 -41.52 67.2 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.703 0.763 . . . . 0.0 110.703 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 78' ' ' VAL . 35.6 t80 -65.74 -51.6 57.92 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.581 -0.7 . . . . 0.0 112.442 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 76' ' ' VAL . 7.9 p -60.22 -39.92 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.821 -0.549 . . . . 0.0 112.203 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.485 ' N ' HG13 ' A' ' 75' ' ' VAL . 42.5 t -66.18 -59.16 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.33 -0.857 . . . . 0.0 111.849 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.472 ' CD1' ' CH2' ' C' ' 5' ' ' TRP . 5.4 tp -66.51 -42.69 86.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.037 -1.039 . . . . 0.0 113.172 -175.552 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 74' ' ' PHE . 17.4 m -64.24 -39.96 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -0.962 . . . . 0.0 111.663 -177.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.581 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.8 -28.94 63.94 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.467 -0.771 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.23 -26.81 66.71 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.46 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 84.9 mt -87.86 -23.01 24.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.235 -0.915 . . . . 0.0 108.787 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -65.82 -53.89 34.1 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.99 -1.084 . . . . 0.0 109.663 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.35 -40.29 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.404 -0.81 . . . . 0.0 110.619 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.459 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 90.5 m -65.31 -39.99 93.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.339 -0.851 . . . . 0.0 109.574 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.452 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 9.4 m120 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.21 -40.61 90.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.27 -0.894 . . . . 0.0 110.614 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 89' ' ' PHE . 53.7 m-85 -74.86 -21.74 59.08 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.004 -1.06 . . . . 0.0 109.596 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 60.9 m-85 54.99 103.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.468 -0.77 . . . . 0.0 109.247 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.99 -33.94 72.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.285 -0.884 . . . . 0.0 108.673 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.01 -38.61 83.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.562 -0.711 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -67.34 -32.45 73.41 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.601 -179.12 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.895 0 N-CA-C 119.457 2.543 . . . . 0.0 119.457 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -107.37 2.02 24.12 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.544 -0.974 . . . . 0.0 108.627 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.61 -54.74 38.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.416 -0.802 . . . . 0.0 110.4 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.59 HD12 ' CB ' ' A' ' 40' ' ' GLU . 83.7 mt -59.83 -39.98 86.96 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.263 -0.898 . . . . 0.0 110.37 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -52.94 -43.06 66.02 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.691 HG22 HG21 ' A' ' 10' ' ' THR . 0.3 OUTLIER -71.07 -32.63 69.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.461 178.996 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -55.79 -51.82 66.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.841 -1.162 . . . . 0.0 109.532 -176.082 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.58 -0.7 . . . . 0.0 110.928 -179.738 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.505 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.8 mm-40 -62.24 -40.07 94.92 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.917 -1.115 . . . . 0.0 110.446 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.707 HG21 HG22 ' A' ' 6' ' ' THR . 2.8 p -69.96 -44.61 69.16 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.577 0.703 . . . . 0.0 110.407 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.0 mt -60.03 -41.63 92.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.855 -0.528 . . . . 0.0 112.165 -178.02 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.92 -28.92 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.746 -1.221 . . . . 0.0 110.963 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.2 m-20 -60.33 -40.05 89.24 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.66 -1.275 . . . . 0.0 109.904 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.568 HG22 ' O ' ' B' ' 10' ' ' THR . 2.1 m -84.14 -34.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.2 m-30 -59.94 -52.28 66.08 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.011 -1.055 . . . . 0.0 110.709 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -77.56 -24.66 49.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.383 -0.823 . . . . 0.0 111.551 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.59 -60.77 2.07 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.559 -1.338 . . . . 0.0 110.708 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -70.1 -39.78 75.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.746 -1.221 . . . . 0.0 111.412 -178.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 34.8 t -56.88 -18.42 13.08 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.026 -1.046 . . . . 0.0 110.859 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.01 19.79 10.04 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -67.84 -23.34 65.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -1.219 . . . . 0.0 109.839 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -100.06 9.17 43.28 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.179 -0.951 . . . . 0.0 109.812 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.14 32.07 50.05 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -96.57 44.69 1.06 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.428 -1.042 . . . . 0.0 109.915 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 49.35 -127.9 2.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.002 -1.061 . . . . 0.0 108.644 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 24.9 p90 -128.41 78.11 1.82 Allowed 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 122.386 1.089 . . . . 0.0 109.727 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' B' ' 19' ' ' SER . 49.2 tptt -143.34 142.41 31.29 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 28' ' ' LEU . 33.6 tp -93.99 148.2 22.39 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 29.2 t -131.93 164.39 26.23 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.576 -0.702 . . . . 0.0 109.47 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -56.1 -41.14 74.76 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.704 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.16 -31.24 60.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.431 -1.418 . . . . 0.0 109.763 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.499 ' HB2' ' H ' ' B' ' 29' ' ' SER . 99.3 mt-10 -75.7 -40.66 55.37 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.696 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.4 tt -60.01 -46.2 90.28 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.609 0.719 . . . . 0.0 111.272 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.621 ' N ' HD23 ' B' ' 33' ' ' LEU . 82.9 tttt -62.01 -44.67 96.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 112.282 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.8 t0 -72.18 -28.55 63.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.983 -1.073 . . . . 0.0 109.38 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.457 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.6 tp -62.13 -40.02 94.52 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 111.577 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.74 -35.89 22.15 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.676 -1.265 . . . . 0.0 113.53 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' B' ' 39' ' ' THR . 3.5 pt20 -69.54 -39.97 77.16 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.368 -1.458 . . . . 0.0 111.058 -177.107 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 63.4 m -78.06 -58.29 3.34 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.409 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.559 ' CB ' HD12 ' A' ' 4' ' ' LEU . 57.7 mp0 -73.43 -51.1 18.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 111.126 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mt -101.88 66.27 1.03 Allowed 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.083 -1.01 . . . . 0.0 108.66 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -79.98 -20.52 45.33 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -103.36 -4.65 23.88 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.749 -1.219 . . . . 0.0 112.864 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.47 -93.43 0.47 Allowed 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.803 -1.186 . . . . 0.0 110.012 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.1 130.81 48.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.04 166.83 15.07 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' B' ' 54' ' ' VAL . 6.6 m -154.87 -38.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.478 ' N ' HG23 ' B' ' 47' ' ' VAL . 27.5 mt-30 -70.07 -36.13 74.72 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.73 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.495 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 18.8 pttp -59.8 -39.95 86.69 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.558 -1.339 . . . . 0.0 110.707 -177.048 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.495 ' OD2' ' NZ ' ' B' ' 49' ' ' LYS . 86.7 m-20 -123.8 120.09 31.63 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.308 -0.87 . . . . 0.0 110.246 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.8 71.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 3.3 p30 -62.22 -34.21 76.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.2 -37.11 84.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.458 -0.776 . . . . 0.0 111.156 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.557 HG22 ' HB ' ' B' ' 47' ' ' VAL . 56.7 t -72.25 -56.5 9.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 O-C-N 121.193 -0.942 . . . . 0.0 112.201 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.75 -41.49 95.88 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.817 -1.177 . . . . 0.0 111.278 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.05 -38.77 75.89 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.026 -1.046 . . . . 0.0 111.543 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' B' ' 61' ' ' LEU . 88.7 mt -76.35 -53.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -45.08 96.17 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.0 -37.64 75.74 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.728 -1.232 . . . . 0.0 109.968 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -86.89 -16.0 37.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 108.908 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' B' ' 63' ' ' GLU . 55.1 tp -89.91 -15.52 31.92 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 10.2 t70 -92.16 51.19 1.75 Allowed 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 102.661 -3.089 . . . . 0.0 102.661 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.0 tt0 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 110.393 -3.094 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 61.0 t30 -82.37 -2.63 53.55 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.32 32.27 83.65 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.078 177.714 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 16.4 p-10 -98.72 -12.0 21.4 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.79 -1.418 . . . . 0.0 109.678 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.59 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.83 -11.54 46.73 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.406 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.5 mt-10 -126.44 142.47 51.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.95 HG12 ' H ' ' B' ' 71' ' ' PHE . 53.8 t -103.06 144.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.432 -0.793 . . . . 0.0 109.848 -178.568 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 48.8 t0 -90.65 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.071 -1.018 . . . . 0.0 109.912 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.95 ' H ' HG12 ' B' ' 69' ' ' VAL . 38.0 m-85 101.81 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.18 -40.15 74.82 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.601 -1.312 . . . . 0.0 108.682 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.508 ' HB2' HG13 ' B' ' 69' ' ' VAL . 96.3 mt-10 -72.08 -41.38 67.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.486 -0.759 . . . . 0.0 110.725 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.682 ' O ' HG22 ' B' ' 78' ' ' VAL . 36.6 t80 -65.89 -51.84 55.27 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.611 -0.681 . . . . 0.0 112.364 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.492 HG13 ' N ' ' B' ' 76' ' ' VAL . 7.9 p -59.96 -40.09 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.888 -0.508 . . . . 0.0 112.137 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.492 ' N ' HG13 ' B' ' 75' ' ' VAL . 41.4 t -66.1 -59.33 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.219 -0.925 . . . . 0.0 111.834 -177.616 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.424 ' CD1' ' CH2' ' D' ' 5' ' ' TRP . 5.5 tp -66.23 -42.82 88.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.065 -1.022 . . . . 0.0 113.124 -175.747 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.682 HG22 ' O ' ' B' ' 74' ' ' PHE . 17.0 m -64.3 -39.67 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.033 -1.042 . . . . 0.0 111.596 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.583 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.96 -29.14 63.96 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.492 -0.755 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -20.96 64.58 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.475 -0.766 . . . . 0.0 108.948 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 89.8 mt -92.72 -22.85 19.15 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.11 -53.48 37.42 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.918 -1.113 . . . . 0.0 109.604 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.415 ' H ' HG23 ' B' ' 83' ' ' VAL . 2.1 t -79.69 -40.36 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.251 -0.905 . . . . 0.0 110.705 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.46 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 93.8 m -65.26 -39.98 93.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.494 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 9.4 m120 -60.12 -39.96 88.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -0.88 . . . . 0.0 109.723 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.17 -40.81 91.23 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.142 -0.974 . . . . 0.0 110.664 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' B' ' 89' ' ' PHE . 53.7 m-85 -74.54 -21.73 59.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.062 -1.024 . . . . 0.0 109.493 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.46 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 61.0 m-85 54.87 103.44 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.475 -0.765 . . . . 0.0 109.198 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.01 -34.0 72.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.227 -0.921 . . . . 0.0 108.66 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.02 -38.68 83.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.583 -0.698 . . . . 0.0 109.916 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -67.12 -32.72 74.05 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.632 -179.068 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.526 0.679 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.23 -39.72 86.25 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.154 -0.966 . . . . 0.0 109.64 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.88 87.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.468 -0.77 . . . . 0.0 113.04 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 p -59.97 -39.38 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.443 -1.411 . . . . 0.0 110.504 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.652 ' HE1' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -60.87 -28.88 69.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.088 -1.008 . . . . 0.0 109.981 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -60.06 -39.54 86.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.069 -1.02 . . . . 0.0 108.863 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -55.45 32.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 110.617 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -70.68 -41.89 71.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.675 -1.265 . . . . 0.0 110.786 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -40.85 96.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.955 . . . . 0.0 109.146 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 53.9 m -59.91 -40.15 87.82 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -126.96 55.4 1.56 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.646 -0.659 . . . . 0.0 110.233 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.683 179.285 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.23 -40.1 86.29 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.199 -0.938 . . . . 0.0 109.693 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.08 87.0 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.471 -0.768 . . . . 0.0 113.041 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.95 -39.21 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 120.333 -1.479 . . . . 0.0 110.719 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 5' ' ' TRP . . . . . 0.788 ' HE1' HD21 ' B' ' 81' ' ' LEU . 0.0 OUTLIER -60.75 -28.96 69.1 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.002 -1.061 . . . . 0.0 109.86 -179.303 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -59.98 -39.5 85.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.023 -1.048 . . . . 0.0 108.91 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -54.91 39.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 tp -71.21 -42.53 68.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.618 -1.301 . . . . 0.0 110.393 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.49 -41.08 98.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.101 -0.999 . . . . 0.0 109.147 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 56.5 m -59.99 -40.04 87.77 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.12 54.93 1.61 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.637 -0.665 . . . . 0.0 110.24 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.74 179.104 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.895 0 N-CA-C 119.87 2.708 . . . . 0.0 119.87 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -104.11 -14.17 15.99 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.563 -0.963 . . . . 0.0 109.417 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.4 mt-10 -70.12 -56.77 6.04 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 5.3 tt -46.85 -34.04 5.02 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.123 -1.611 . . . . 0.0 110.346 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -47.26 -42.78 21.25 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.313 1.054 . . . . 0.0 108.191 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 10' ' ' THR . 68.2 p -60.06 -36.15 76.71 Favored 'General case' 0 C--O 1.199 -1.561 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -50.42 -54.25 23.33 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.501 -0.75 . . . . 0.0 111.472 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.1 -48.12 83.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.558 -1.339 . . . . 0.0 112.171 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.0 -26.86 63.32 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.714 -1.241 . . . . 0.0 114.021 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 11' ' ' LEU . 4.3 t -77.82 -49.16 14.85 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.082 -1.636 . . . . 0.0 111.395 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' HG23 ' A' ' 10' ' ' THR . 1.4 pp -69.4 -34.35 74.36 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.046 -1.034 . . . . 0.0 111.777 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -76.31 -30.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.419 -1.426 . . . . 0.0 110.632 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -62.48 -40.1 95.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.29 -1.506 . . . . 0.0 109.196 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 19.7 m -76.47 -31.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.617 0.723 . . . . 0.0 109.642 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -59.96 -49.83 76.15 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.817 0.818 . . . . 0.0 110.463 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -78.37 -22.66 47.57 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.762 -0.586 . . . . 0.0 111.277 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.92 2.56 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.559 -1.338 . . . . 0.0 111.189 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.561 ' HB2' HD21 ' A' ' 36' ' ' LEU . 77.1 m80 -67.96 -40.02 83.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.545 -1.347 . . . . 0.0 110.185 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -64.74 -13.86 56.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 0.0 110.802 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 12.85 60.63 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -92.34 -77.03 0.44 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -109.8 85.65 2.15 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.26 -153.04 22.92 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.47 167.38 11.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -1.152 . . . . 0.0 108.585 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -55.96 -37.79 69.49 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.186 -0.946 . . . . 0.0 111.292 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 40.7 p90 -143.07 47.09 1.53 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.23 -1.544 . . . . 0.0 112.592 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -141.19 140.14 33.96 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.26 157.27 16.04 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.593 -1.317 . . . . 0.0 111.151 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 96.2 p -125.03 159.91 30.23 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 79.0 tttt -43.84 -39.59 3.95 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.952 -1.092 . . . . 0.0 111.734 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.34 -25.17 36.61 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.775 -1.203 . . . . 0.0 112.776 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' A' ' 29' ' ' SER . 41.0 mt-10 -77.34 -39.98 45.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.47 -1.394 . . . . 0.0 110.681 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.406 HD22 HG21 ' A' ' 69' ' ' VAL . 2.7 pp -75.19 -36.88 61.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.444 -0.785 . . . . 0.0 110.162 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.94 -40.4 88.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 0.0 110.664 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.89 -25.58 59.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.138 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 18' ' ' HIS . 14.4 mt -71.08 -38.46 72.43 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.924 -1.11 . . . . 0.0 112.251 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 45' ' ' LEU . 17.3 mt -78.11 -39.99 39.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.69 -1.256 . . . . 0.0 111.269 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.501 ' NE2' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -66.42 -37.55 85.46 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.823 -1.173 . . . . 0.0 109.339 -179.529 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.2 m -76.77 -52.83 8.84 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.746 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' OE2' ' CG2' ' A' ' 14' ' ' VAL . 97.3 mt-10 -69.78 -47.29 63.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.702 -0.624 . . . . 0.0 111.953 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.59 68.3 0.66 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.118 -0.989 . . . . 0.0 110.144 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.5 t -76.98 138.72 39.81 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER 78.61 -8.08 1.7 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.503 -0.748 . . . . 0.0 110.716 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -113.66 -85.58 0.59 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.782 HD12 HG13 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -76.4 136.7 39.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.207 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -118.6 151.2 38.36 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.885 -1.134 . . . . 0.0 108.627 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.457 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 3.2 m -152.61 -38.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 88.9 mt-30 -74.11 -40.27 62.8 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.155 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -64.67 -45.7 85.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.163 -0.961 . . . . 0.0 110.771 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -107.64 110.56 22.46 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.716 0.769 . . . . 0.0 110.751 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.45 69.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 17.2 p-10 -67.8 -23.9 65.24 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.91 -39.94 65.92 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.172 -0.955 . . . . 0.0 110.543 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 12.6 t -69.72 -52.62 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.446 -0.784 . . . . 0.0 111.479 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.0 m-20 -59.89 -39.89 86.88 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 120.669 -1.269 . . . . 0.0 110.42 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -39.33 75.5 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.054 -1.029 . . . . 0.0 112.101 -177.464 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -81.54 -52.87 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.219 -1.55 . . . . 0.0 109.842 -179.474 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 tmt? -60.27 -47.92 83.93 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.482 -0.761 . . . . 0.0 112.349 -177.013 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.51 -36.59 79.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.43 -1.419 . . . . 0.0 109.831 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.09 -16.65 32.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.021 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' ILE . 60.2 tp -86.64 -12.98 46.92 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 65' ' ' GLY . 41.6 t0 -98.59 43.62 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 173.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 61' ' ' LEU . 48.3 tp10 -37.57 -19.41 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 110.512 -3.04 . . . . 0.0 110.817 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 62' ' ' ASP . 89.1 m-20 -85.61 0.12 53.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.615 -1.303 . . . . 0.0 107.943 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.01 38.11 94.99 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 121.179 -0.534 . . . . 0.0 111.839 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.9 p30 -102.13 -9.74 20.26 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.401 . . . . 0.0 110.719 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 83.06 -9.28 60.88 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 120.581 -1.324 . . . . 0.0 110.761 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 65.1 mt-10 -118.91 144.4 46.44 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.406 HG21 HD22 ' A' ' 33' ' ' LEU . 53.0 t -106.97 134.16 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.058 -1.027 . . . . 0.0 111.12 -177.211 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 14.5 t70 -84.78 160.39 20.26 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 50.6 p90 -60.43 -39.63 88.17 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.024 -1.048 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.48 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.2 tt0 -61.15 -40.01 92.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.504 -1.372 . . . . 0.0 110.473 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.717 -1.24 . . . . 0.0 111.362 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -67.1 -49.6 64.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.011 -1.056 . . . . 0.0 111.396 -178.419 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.604 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 8.4 p -59.91 -37.38 71.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 121.198 -0.939 . . . . 0.0 111.984 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.89 -60.8 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.722 -1.236 . . . . 0.0 111.466 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD12 ' CZ2' ' C' ' 5' ' ' TRP . 3.8 tp -65.65 -48.92 70.53 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.919 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.782 HG13 HD12 ' A' ' 45' ' ' LEU . 69.9 t -60.17 -39.81 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 O-C-N 121.306 -0.872 . . . . 0.0 111.542 -178.37 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -69.69 -24.5 63.6 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.282 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.79 59.37 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.326 -0.859 . . . . 0.0 110.591 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.652 HD21 ' HE1' ' C' ' 5' ' ' TRP . 50.3 mt -90.93 -47.01 7.84 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.912 -1.117 . . . . 0.0 111.075 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 83' ' ' VAL . 6.4 t -60.56 -47.84 84.41 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.103 -0.998 . . . . 0.0 110.186 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.554 ' N ' HG23 ' A' ' 82' ' ' THR . 9.2 p -67.07 -39.93 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.093 -1.004 . . . . 0.0 109.541 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -65.59 -23.92 66.95 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.682 -0.636 . . . . 0.0 109.864 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -70.05 -40.05 75.35 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.994 -1.066 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -62.39 -40.24 95.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 110.371 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.85 -44.27 94.21 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.098 -1.001 . . . . 0.0 110.441 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -71.17 -24.15 62.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.084 -1.01 . . . . 0.0 110.003 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -90.09 6.0 44.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.124 -0.985 . . . . 0.0 109.626 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -59.61 -45.49 91.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.048 -1.033 . . . . 0.0 109.337 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.243 -0.911 . . . . 0.0 108.873 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -88.43 35.91 0.78 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.183 -0.948 . . . . 0.0 109.987 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.028 179.582 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.856 0 N-CA-C 120.177 2.831 . . . . 0.0 120.177 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -104.02 -14.27 16.0 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.24 -1.153 . . . . 0.0 109.439 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' B' ' 4' ' ' LEU . 98.5 mt-10 -70.07 -56.53 6.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.084 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' B' ' 7' ' ' ALA . 5.7 tt -47.36 -33.81 6.25 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.1 -1.625 . . . . 0.0 110.262 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -47.06 -42.9 19.49 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 122.503 1.144 . . . . 0.0 108.196 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.466 ' O ' HG22 ' B' ' 10' ' ' THR . 66.5 p -60.03 -35.07 74.3 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 4' ' ' LEU . . . -51.28 -53.69 33.26 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.101 0.953 . . . . 0.0 111.464 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.24 -48.82 80.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.879 -1.138 . . . . 0.0 111.958 -177.817 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.58 -27.26 63.98 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.772 -1.205 . . . . 0.0 114.079 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.539 HG23 ' N ' ' B' ' 11' ' ' LEU . 4.4 t -77.53 -49.62 14.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 119.935 -1.728 . . . . 0.0 111.172 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.539 ' N ' HG23 ' B' ' 10' ' ' THR . 1.7 pp -68.74 -34.74 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.049 -1.032 . . . . 0.0 111.858 -177.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.03 -33.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.201 -1.562 . . . . 0.0 110.347 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.02 -40.13 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.601 -1.312 . . . . 0.0 109.031 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.435 ' CG2' ' OE2' ' B' ' 40' ' ' GLU . 16.9 m -76.92 -31.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 CA-C-O 121.739 0.781 . . . . 0.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.2 -49.71 76.53 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.715 0.769 . . . . 0.0 110.434 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.41 ' HA ' ' HG ' ' B' ' 19' ' ' SER . 53.9 t-80 -78.54 -22.22 47.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.726 -0.608 . . . . 0.0 111.376 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -59.9 2.58 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.673 -1.267 . . . . 0.0 111.217 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.575 ' HB2' HD21 ' B' ' 36' ' ' LEU . 76.9 m80 -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.603 -1.311 . . . . 0.0 110.361 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.41 ' HG ' ' HA ' ' B' ' 16' ' ' HIS . 74.2 p -64.92 -13.55 57.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.655 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.88 12.35 60.84 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -92.46 -76.97 0.45 Allowed 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -109.37 86.13 2.23 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.35 -152.69 22.59 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -96.33 167.42 11.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -1.14 . . . . 0.0 108.851 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -56.48 -37.93 71.03 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.219 -0.926 . . . . 0.0 111.076 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 39.0 p90 -142.92 47.97 1.52 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.246 -1.534 . . . . 0.0 112.627 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -142.04 140.32 32.58 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.27 157.19 16.09 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.684 -1.26 . . . . 0.0 111.132 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.496 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 88.6 p -125.05 159.76 30.61 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.423 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 78.3 tttt -43.77 -39.75 3.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.907 -1.121 . . . . 0.0 111.74 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -80.48 -25.38 38.84 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.805 -1.185 . . . . 0.0 112.666 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.496 ' HB2' ' H ' ' B' ' 29' ' ' SER . 41.1 mt-10 -77.52 -40.01 44.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.512 -1.367 . . . . 0.0 110.871 -178.816 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.413 HD22 HG21 ' B' ' 69' ' ' VAL . 2.6 pp -75.28 -36.93 61.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.9 -40.23 88.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.065 -1.022 . . . . 0.0 110.752 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.97 -25.29 58.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.814 -1.179 . . . . 0.0 110.286 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' B' ' 18' ' ' HIS . 14.3 mt -71.44 -38.12 71.37 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.918 -1.114 . . . . 0.0 112.31 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' B' ' 45' ' ' LEU . 15.9 mt -78.26 -41.02 35.33 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.591 -1.318 . . . . 0.0 110.934 -177.688 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.496 ' NE2' ' C ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -64.85 -37.81 88.87 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.992 -1.067 . . . . 0.0 109.273 -179.188 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.92 -52.89 8.62 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.692 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.435 ' OE2' ' CG2' ' B' ' 14' ' ' VAL . 97.2 mt-10 -69.93 -47.02 64.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.689 -0.632 . . . . 0.0 111.992 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mt -111.64 68.02 0.66 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.209 -0.932 . . . . 0.0 110.111 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' B' ' 43' ' ' SER . 44.9 t -76.7 138.39 39.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 78.93 -7.78 1.73 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.429 -0.794 . . . . 0.0 110.809 178.851 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -113.99 -85.91 0.59 Allowed 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.768 HD12 HG13 ' B' ' 78' ' ' VAL . 0.1 OUTLIER -76.06 137.09 39.96 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 106.959 -1.496 . . . . 0.0 106.959 178.16 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -118.7 151.27 38.28 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.001 -1.062 . . . . 0.0 108.612 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.441 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 3.1 m -152.41 -39.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.431 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 91.1 mt-30 -73.94 -40.09 63.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.4 -46.03 85.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.052 -1.03 . . . . 0.0 110.759 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -107.65 110.08 21.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 0.0 110.777 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.13 69.98 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 17.1 p-10 -67.62 -24.4 65.46 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.199 -0.938 . . . . 0.0 108.656 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -39.68 66.87 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.305 -0.872 . . . . 0.0 110.735 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 17.1 t -70.07 -52.75 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.358 -0.839 . . . . 0.0 111.426 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.423 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 98.1 m-20 -59.98 -39.96 87.47 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.833 -1.167 . . . . 0.0 110.378 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -39.66 75.7 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.838 -1.164 . . . . 0.0 112.199 -177.713 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.1 pp -80.61 -53.39 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 120.012 -1.68 . . . . 0.0 109.765 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.467 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 tmt? -60.21 -47.56 85.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.518 -0.739 . . . . 0.0 112.526 -176.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.48 -36.42 78.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.472 -1.393 . . . . 0.0 109.753 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -88.62 -16.6 32.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.061 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' B' ' 57' ' ' ILE . 64.3 tp -86.49 -12.86 47.72 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 65' ' ' GLY . 42.0 t0 -98.47 43.72 1.05 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 173.475 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 61' ' ' LEU . 48.7 tp10 -37.21 -19.85 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 110.478 -3.055 . . . . 0.0 110.839 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' B' ' 62' ' ' ASP . 89.9 m-20 -85.43 -0.02 53.62 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.562 -1.336 . . . . 0.0 108.012 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.88 37.78 94.29 Favored Glycine 0 N--CA 1.492 2.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.858 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.9 p30 -101.27 -10.01 20.72 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.858 -1.378 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 83.03 -8.67 62.59 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 120.683 -1.26 . . . . 0.0 110.671 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.578 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 64.4 mt-10 -119.53 144.31 47.11 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.413 HG21 HD22 ' B' ' 33' ' ' LEU . 54.8 t -106.32 133.79 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.019 -1.051 . . . . 0.0 111.396 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.417 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 14.4 t70 -84.06 160.58 20.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 50.7 p90 -60.64 -39.8 89.65 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.937 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.471 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 60.7 tt0 -61.12 -40.03 92.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.528 -1.357 . . . . 0.0 110.304 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.78 -40.03 76.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.738 -1.226 . . . . 0.0 111.381 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -66.84 -50.03 63.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.166 -0.959 . . . . 0.0 111.376 -178.433 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.585 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 8.6 p -60.06 -36.93 70.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.271 -0.893 . . . . 0.0 112.077 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.64 -60.6 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.669 -1.269 . . . . 0.0 111.502 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.511 HD12 ' CZ2' ' D' ' 5' ' ' TRP . 4.3 tp -65.47 -48.91 71.03 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.728 -1.232 . . . . 0.0 111.769 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.768 HG13 HD12 ' B' ' 45' ' ' LEU . 75.4 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.305 -0.872 . . . . 0.0 111.805 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.491 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -69.82 -24.29 63.45 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.361 -0.837 . . . . 0.0 109.279 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -20.18 59.4 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.0 110.818 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.788 HD21 ' HE1' ' D' ' 5' ' ' TRP . 57.3 mt -93.96 -46.72 7.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.806 -1.184 . . . . 0.0 110.55 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.7 t -60.6 -47.68 85.11 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.522 ' N ' HG23 ' B' ' 82' ' ' THR . 8.5 p -67.59 -39.95 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.213 -0.929 . . . . 0.0 109.309 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.471 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -64.79 -24.5 67.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.685 -0.634 . . . . 0.0 110.012 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.09 -39.92 75.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.082 -1.011 . . . . 0.0 109.861 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -62.47 -40.04 95.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.037 -1.04 . . . . 0.0 110.306 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.13 -44.07 95.19 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.064 -1.022 . . . . 0.0 110.515 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -71.29 -23.79 62.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.232 -0.918 . . . . 0.0 110.095 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -90.62 6.85 42.14 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.184 -0.947 . . . . 0.0 109.623 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.93 -45.66 91.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.148 -0.97 . . . . 0.0 109.172 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -39.93 88.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 108.909 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -88.22 36.02 0.77 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.362 -0.836 . . . . 0.0 109.992 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 118.01 -0.995 . . . . 0.0 108.91 179.496 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -60.06 -49.65 76.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.168 -0.957 . . . . 0.0 109.23 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.06 91.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.289 -0.882 . . . . 0.0 109.1 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.48 -41.67 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -60.07 -49.97 75.54 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.487 -0.758 . . . . 0.0 109.673 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -61.52 -39.91 92.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.047 . . . . 0.0 110.005 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -60.11 -50.44 73.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.33 -0.856 . . . . 0.0 111.438 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.09 -50.01 73.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.735 -1.228 . . . . 0.0 111.359 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.1 -39.04 91.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.886 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -59.06 -39.95 83.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.079 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.43 -40.0 94.91 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.244 -0.91 . . . . 0.0 109.961 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.896 -1.05 . . . . 0.0 109.406 -179.371 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -59.97 -49.87 75.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 0.0 109.204 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.55 92.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.904 . . . . 0.0 109.264 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.19 -41.58 92.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -60.09 -50.03 75.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.525 -0.734 . . . . 0.0 109.591 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -61.57 -40.08 93.45 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.118 -0.989 . . . . 0.0 109.908 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.98 -50.65 72.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 0.0 111.557 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.07 -49.95 73.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.835 -1.166 . . . . 0.0 111.409 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.85 -39.18 90.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.128 -0.983 . . . . 0.0 109.801 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -59.0 -39.93 83.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.202 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.38 -40.07 95.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.347 -0.846 . . . . 0.0 109.793 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 31.0 mt-30 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.862 -1.066 . . . . 0.0 109.389 -179.371 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.916 0 N-CA-C 119.625 2.61 . . . . 0.0 119.625 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t -106.82 -78.27 0.58 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.966 -1.314 . . . . 0.0 109.518 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.519 ' OE2' ' ND2' ' B' ' 13' ' ' ASN . 98.0 mt-10 -59.96 -55.48 33.52 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 110.386 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.618 HD12 ' CB ' ' B' ' 40' ' ' GLU . 97.4 mt -60.03 -38.67 83.4 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.993 -1.067 . . . . 0.0 110.705 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.44 -43.52 68.1 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.723 -1.236 . . . . 0.0 108.519 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.5 p -70.36 -36.84 74.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.354 -0.841 . . . . 0.0 110.353 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -52.09 -56.17 16.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.763 -178.053 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mmm -60.01 -34.2 73.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.981 -1.075 . . . . 0.0 110.105 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.34 -40.02 95.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 110.191 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.428 HG21 ' OG1' ' B' ' 6' ' ' THR . 19.8 p -69.11 -46.58 67.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.588 0.709 . . . . 0.0 110.916 -178.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 84.5 mt -60.9 -49.83 75.87 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.514 0.673 . . . . 0.0 111.627 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.14 -39.84 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.364 -0.835 . . . . 0.0 112.048 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.523 ' ND2' ' OE2' ' B' ' 3' ' ' GLU . 57.0 t-20 -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.27 -1.519 . . . . 0.0 110.798 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' HG2' ' A' ' 40' ' ' GLU . 7.4 p -81.02 -29.85 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.3 -0.875 . . . . 0.0 110.823 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.5 m-30 -61.41 -55.72 28.31 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.832 -1.167 . . . . 0.0 111.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -75.7 -24.25 56.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.454 -0.779 . . . . 0.0 112.056 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.95 -60.23 2.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.596 -1.315 . . . . 0.0 110.874 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.44 -39.96 81.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.948 -1.095 . . . . 0.0 111.07 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -63.62 -19.82 65.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 112.34 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.76 19.52 33.14 Favored Glycine 0 N--CA 1.503 3.157 0 O-C-N 121.074 -1.016 . . . . 0.0 111.144 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -78.08 -48.83 15.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.678 -1.484 . . . . 0.0 109.402 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -142.68 65.2 1.35 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.431 -0.793 . . . . 0.0 109.528 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.05 -150.15 5.88 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 119.535 -1.317 . . . . 0.0 110.414 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 49.1 t0 -87.93 155.11 20.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.486 -1.008 . . . . 0.0 109.296 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 62.8 mttp -20.97 -83.02 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 122.31 0.244 . . . . 0.0 111.403 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 21.5 p90 -131.08 79.67 1.9 Allowed 'General case' 0 N--CA 1.502 2.144 0 CA-C-O 122.234 1.016 . . . . 0.0 110.132 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 142.67 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 71' ' ' PHE . 7.0 tp -95.47 147.4 23.58 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.688 -1.258 . . . . 0.0 108.327 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.537 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 53.7 m -130.83 162.44 29.58 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -50.33 -46.27 55.45 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.579 -1.248 . . . . 0.0 110.663 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.06 -34.33 74.99 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.855 -1.153 . . . . 0.0 110.996 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HB2' ' H ' ' A' ' 29' ' ' SER . 97.7 mt-10 -73.96 -36.8 64.63 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.982 0.896 . . . . 0.0 108.594 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.07 -51.07 71.22 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -70.72 -36.48 73.24 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.93 -1.106 . . . . 0.0 112.575 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -68.26 -35.78 78.41 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 14' ' ' VAL . 42.9 tp -61.93 -38.69 89.4 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.7 -0.625 . . . . 0.0 111.801 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 74' ' ' PHE . 89.4 mt -83.93 -37.55 22.17 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.765 -1.209 . . . . 0.0 112.731 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.482 ' NE2' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -70.06 -33.14 71.55 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.71 -1.244 . . . . 0.0 110.403 -178.416 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 53.4 m -75.36 -48.56 22.45 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.521 -0.737 . . . . 0.0 111.686 -178.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.571 ' CB ' HD12 ' B' ' 4' ' ' LEU . 58.1 mp0 -97.88 -46.29 5.99 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.101 -0.999 . . . . 0.0 111.97 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 HD13 ' B' ' 4' ' ' LEU . 1.7 mt -100.85 78.78 1.98 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.783 -1.198 . . . . 0.0 109.221 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' SER . 39.3 m -90.74 142.21 27.99 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.3 p 78.44 -3.27 2.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.521 -0.737 . . . . 0.0 111.103 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -104.06 -78.58 0.56 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.425 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -89.11 130.44 35.55 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 177.638 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CG ' ' NZ ' ' A' ' 49' ' ' LYS . 84.4 m-20 -121.59 77.19 1.32 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.971 0.891 . . . . 0.0 110.253 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 54' ' ' VAL . 4.2 m -78.31 -39.67 24.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 121.827 0.822 . . . . 0.0 110.774 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' N ' HG23 ' A' ' 47' ' ' VAL . 97.7 mt-30 -60.08 -50.07 75.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.55 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -74.43 -37.12 63.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.661 -1.274 . . . . 0.0 110.134 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 54' ' ' VAL . 87.8 m-20 -90.18 88.87 7.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.983 -1.073 . . . . 0.0 109.763 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.27 92.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.566 -0.709 . . . . 0.0 109.585 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 90.4 m-20 -59.82 -39.38 84.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.336 -0.852 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -64.63 -40.04 94.77 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.648 -0.658 . . . . 0.0 111.848 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 47' ' ' VAL . 22.3 t -68.91 -56.9 10.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 120.849 -1.157 . . . . 0.0 112.19 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.22 -40.97 97.14 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.843 -1.16 . . . . 0.0 111.17 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 36.2 mmtm -69.43 -40.03 77.48 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.536 -0.728 . . . . 0.0 111.91 -177.504 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.9 mt -78.99 -51.98 16.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.485 -0.759 . . . . 0.0 111.479 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.536 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -64.2 -43.36 95.28 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.143 -177.766 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.89 -36.26 81.88 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.914 -1.116 . . . . 0.0 108.845 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.87 -17.33 31.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' C ' ' H ' ' A' ' 63' ' ' GLU . 49.8 tp -86.66 -19.86 28.65 Favored 'General case' 0 N--CA 1.506 2.342 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 65' ' ' GLY . 21.7 m-20 -89.26 48.0 1.56 Allowed 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 102.909 -2.997 . . . . 0.0 102.909 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 61' ' ' LEU . 49.4 tp10 -43.46 -20.17 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 111.352 -2.658 . . . . 0.0 109.776 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' ASP . 79.6 m-20 -87.95 -0.17 56.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.724 -1.235 . . . . 0.0 108.204 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.607 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.85 38.17 95.21 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 27.3 p-10 -101.0 -17.45 16.74 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.887 -1.36 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.76 -10.34 62.7 Favored Glycine 0 N--CA 1.501 3.004 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 49.5 mt-10 -119.18 139.13 52.35 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 68.4 t -103.99 132.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.7 m-20 -86.2 124.06 32.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 109.009 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' A' ' 70' ' ' ASP . 87.0 m-85 -28.66 -35.04 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 O-C-N 122.107 -0.371 . . . . 0.0 111.715 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.7 tt0 -60.54 -40.86 93.09 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.456 -1.403 . . . . 0.0 109.502 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.3 mt-10 -66.26 -39.94 89.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.986 -1.071 . . . . 0.0 109.406 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 37' ' ' LEU . 16.9 t80 -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.86 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.4 p -69.81 -34.64 61.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 O-C-N 120.93 -1.106 . . . . 0.0 110.842 -178.38 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.34 -60.56 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.739 -1.226 . . . . 0.0 112.028 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.99 -40.72 64.99 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.822 -1.174 . . . . 0.0 112.723 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 t -67.44 -39.76 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.62 -1.3 . . . . 0.0 109.741 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -75.3 -25.49 57.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.572 -0.705 . . . . 0.0 109.813 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.73 -25.09 65.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.932 -1.105 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -91.87 -37.43 12.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 109.68 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.7 p -62.0 -48.56 79.79 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.57 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.6 p -74.04 -40.9 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.545 -0.722 . . . . 0.0 110.709 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.513 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.09 -34.15 74.48 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.354 -0.841 . . . . 0.0 111.139 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.68 -47.22 55.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 42.2 t30 -60.12 -41.7 93.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.036 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 28.8 t-20 -59.99 -40.88 90.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.298 -0.876 . . . . 0.0 110.505 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -64.44 -32.51 74.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.572 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 62.1 m-85 55.25 84.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.395 -0.816 . . . . 0.0 109.497 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -60.22 -28.37 67.95 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.303 -0.873 . . . . 0.0 108.911 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.06 0.31 7.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.193 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -82.03 -3.79 55.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.315 -0.865 . . . . 0.0 109.054 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.301 -1.534 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.546 -179.729 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.536 ' HA3' ' O ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.532 5.04 0 N-CA-C 119.288 2.475 . . . . 0.0 119.288 . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -106.89 -78.37 0.58 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.932 -1.334 . . . . 0.0 109.711 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE2' ' ND2' ' A' ' 13' ' ' ASN . 97.2 mt-10 -59.64 -55.79 30.06 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.124 -0.985 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 40' ' ' GLU . 95.2 mt -59.89 -38.41 82.17 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.082 -1.011 . . . . 0.0 110.815 -177.045 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -53.71 -43.66 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.648 -1.282 . . . . 0.0 108.35 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 35.7 p -70.25 -35.65 73.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -53.09 -55.78 21.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.647 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.9 mmm -60.15 -34.06 73.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.982 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.38 -39.99 94.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.155 -0.966 . . . . 0.0 110.082 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 21.3 p -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.646 0.736 . . . . 0.0 110.831 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.0 mt -60.6 -49.86 75.83 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.616 -0.678 . . . . 0.0 111.719 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.6 mt -70.25 -39.86 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.041 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.519 ' ND2' ' OE2' ' A' ' 3' ' ' GLU . 56.3 t-20 -59.94 -40.1 87.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.325 -1.484 . . . . 0.0 110.355 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.472 HG21 ' HG2' ' B' ' 40' ' ' GLU . 6.7 p -81.02 -29.8 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.351 -0.843 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.7 m-30 -61.44 -55.73 28.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.801 -1.187 . . . . 0.0 111.165 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -75.66 -23.91 56.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.491 -0.756 . . . . 0.0 112.086 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.29 2.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.732 -1.23 . . . . 0.0 110.895 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.008 -1.058 . . . . 0.0 111.069 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.3 p -63.39 -20.02 65.17 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.383 -0.823 . . . . 0.0 112.255 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.32 19.12 34.9 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.077 -1.014 . . . . 0.0 111.19 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -77.93 -48.31 16.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.548 -1.56 . . . . 0.0 109.669 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -143.04 64.77 1.35 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.42 -0.8 . . . . 0.0 109.531 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.53 -149.85 5.75 Favored Glycine 0 N--CA 1.493 2.486 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.49 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 48.2 t0 -87.97 155.26 19.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.523 -0.987 . . . . 0.0 109.206 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.536 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 62.8 mttp -21.28 -82.86 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.491 0 C-N-CA 122.281 0.232 . . . . 0.0 111.434 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 21.4 p90 -131.17 79.4 1.89 Allowed 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 122.301 1.048 . . . . 0.0 110.007 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 142.69 32.3 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' B' ' 71' ' ' PHE . 7.0 tp -95.37 147.19 23.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.709 -1.244 . . . . 0.0 108.372 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.551 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 54.6 m -130.22 162.96 27.76 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -50.78 -46.35 59.51 Favored 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 118.441 -1.303 . . . . 0.0 110.618 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.52 -33.8 73.33 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.819 -1.176 . . . . 0.0 110.846 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.551 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.2 mt-10 -73.99 -36.63 64.53 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.661 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.22 -51.32 70.07 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -70.12 -36.89 75.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.973 -1.08 . . . . 0.0 112.694 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.05 -35.77 78.78 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.719 -1.238 . . . . 0.0 107.737 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.9 -38.71 89.38 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 121.712 -0.618 . . . . 0.0 111.748 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.571 HD21 ' CE2' ' B' ' 74' ' ' PHE . 88.1 mt -83.98 -37.41 22.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.878 -1.139 . . . . 0.0 112.834 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.475 ' NE2' ' C ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -70.03 -33.3 71.81 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.691 -1.256 . . . . 0.0 110.386 -178.673 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 55.2 m -75.21 -48.56 22.88 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.531 -0.731 . . . . 0.0 111.679 -177.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.618 ' CB ' HD12 ' A' ' 4' ' ' LEU . 58.1 mp0 -98.0 -46.45 5.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.011 -1.055 . . . . 0.0 111.9 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.443 HD12 HD13 ' A' ' 4' ' ' LEU . 1.7 mt -100.61 78.95 2.04 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.821 -1.174 . . . . 0.0 109.307 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' B' ' 43' ' ' SER . 39.4 m -91.18 142.14 28.05 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.1 p 78.23 -2.67 2.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 111.088 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -104.71 -78.59 0.56 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.426 ' H ' HD22 ' B' ' 45' ' ' LEU . 0.6 OUTLIER -89.09 130.43 35.54 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 177.668 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.454 ' CG ' ' NZ ' ' B' ' 49' ' ' LYS . 84.3 m-20 -121.62 77.03 1.31 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 0.0 110.308 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.597 ' HB ' HG22 ' B' ' 54' ' ' VAL . 4.2 m -78.1 -39.66 25.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 121.884 0.849 . . . . 0.0 110.889 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.562 ' N ' HG23 ' B' ' 47' ' ' VAL . 97.8 mt-30 -60.03 -49.97 75.55 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -175.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.518 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -74.69 -37.32 62.67 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.695 -1.253 . . . . 0.0 110.146 -179.153 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.427 ' O ' HG23 ' B' ' 54' ' ' VAL . 88.6 m-20 -89.97 88.75 7.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.974 -1.079 . . . . 0.0 109.751 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.75 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.6 -0.688 . . . . 0.0 109.559 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' LYS . 91.1 m-20 -60.05 -39.3 85.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 109.279 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.454 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -65.82 -36.97 84.99 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.71 -0.619 . . . . 0.0 112.379 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.597 HG22 ' HB ' ' B' ' 47' ' ' VAL . 21.8 t -70.9 -57.05 8.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 120.727 -1.233 . . . . 0.0 111.961 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.97 -41.03 97.66 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.91 -1.119 . . . . 0.0 111.162 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' B' ' 52' ' ' ASP . 36.9 mmtm -69.5 -39.93 77.29 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.465 -0.772 . . . . 0.0 111.903 -177.578 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.4 mt -78.89 -52.79 14.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.427 -0.796 . . . . 0.0 111.34 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.53 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -62.65 -44.28 96.68 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.421 -0.799 . . . . 0.0 111.603 -178.08 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -66.51 -36.33 82.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.035 -1.041 . . . . 0.0 108.924 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -88.03 -17.48 31.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 109.186 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' B' ' 57' ' ' ILE . 52.4 tp -86.41 -19.89 29.02 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.3 m-20 -89.49 48.23 1.58 Allowed 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 102.794 -3.039 . . . . 0.0 102.794 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 61' ' ' LEU . 49.3 tp10 -43.48 -20.07 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 111.25 -2.705 . . . . 0.0 109.793 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 79.6 m-20 -88.16 -0.15 56.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.713 -1.242 . . . . 0.0 108.173 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.71 35.79 91.47 Favored Glycine 0 N--CA 1.494 2.513 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.501 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 27.4 p-10 -99.24 -17.77 17.94 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.885 -1.362 . . . . 0.0 110.753 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.43 -9.6 64.04 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 50.2 mt-10 -119.07 139.95 50.89 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.463 HG22 ' OD1' ' B' ' 62' ' ' ASP . 88.9 t -104.65 131.85 52.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 O-C-N 121.623 -0.673 . . . . 0.0 109.33 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.6 m-20 -85.82 123.77 31.56 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.01 -1.056 . . . . 0.0 109.101 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.481 ' C ' ' O ' ' B' ' 70' ' ' ASP . 87.8 m-85 -28.36 -35.02 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 O-C-N 122.254 -0.279 . . . . 0.0 111.643 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' B' ' 70' ' ' ASP . 28.5 tt0 -60.86 -40.5 93.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.442 -1.411 . . . . 0.0 109.528 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.2 mt-10 -66.67 -39.92 88.37 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.899 -1.126 . . . . 0.0 109.272 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.571 ' CE2' HD21 ' B' ' 37' ' ' LEU . 17.6 t80 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.867 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 1.2 p -69.07 -35.0 66.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 O-C-N 120.873 -1.142 . . . . 0.0 110.919 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.4 -60.48 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.808 -1.183 . . . . 0.0 112.041 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.92 -40.64 65.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.972 -1.08 . . . . 0.0 112.801 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 t -67.77 -38.76 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.609 -1.307 . . . . 0.0 109.927 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -75.87 -25.72 56.43 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.51 -0.744 . . . . 0.0 109.893 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.82 -21.3 64.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.999 -1.063 . . . . 0.0 109.836 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.0 mt -94.89 -37.67 11.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.207 -0.933 . . . . 0.0 109.315 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -62.03 -48.11 81.75 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.523 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.512 HG13 ' N ' ' B' ' 84' ' ' ALA . 8.9 p -74.4 -41.21 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.464 -0.772 . . . . 0.0 110.676 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.512 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -60.79 -34.27 74.25 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.346 -0.846 . . . . 0.0 111.181 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.57 -47.26 56.03 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.119 -0.988 . . . . 0.0 110.478 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.41 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 43.3 t30 -60.13 -41.76 93.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.059 -1.026 . . . . 0.0 110.076 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.516 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 28.8 t-20 -60.09 -40.93 91.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.426 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -64.15 -32.62 74.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.18 -0.95 . . . . 0.0 109.63 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 62.1 m-85 55.32 84.62 0.07 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.312 -0.867 . . . . 0.0 109.46 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -60.04 -28.46 67.78 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.378 -0.827 . . . . 0.0 108.896 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -71.21 0.53 7.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.221 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -82.09 -4.13 56.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.306 -0.871 . . . . 0.0 108.937 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.6 p . . . . . 0 C--N 1.302 -1.496 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.686 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -159.23 -80.09 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -0.85 . . . . 0.0 109.035 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.13 89.19 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.267 -0.896 . . . . 0.0 109.47 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.436 HG23 ' N ' ' C' ' 5' ' ' TRP . 23.1 m -61.25 -37.43 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.339 -0.85 . . . . 0.0 109.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.436 ' N ' HG23 ' C' ' 4' ' ' VAL . 66.1 t-105 -65.36 -41.98 93.25 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.063 -1.023 . . . . 0.0 109.774 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.97 -49.96 74.0 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.396 -0.815 . . . . 0.0 112.275 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -60.87 -33.34 72.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.682 -1.261 . . . . 0.0 110.78 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 57' ' ' ILE . 23.5 tp -60.15 -49.84 76.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.877 -1.14 . . . . 0.0 110.529 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.52 -39.53 93.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.867 -1.145 . . . . 0.0 109.077 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -60.07 -41.69 92.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.972 . . . . 0.0 110.509 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -69.9 -39.96 75.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.812 -1.18 . . . . 0.0 109.87 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.18 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.321 0.581 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -159.91 -79.85 0.05 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.308 -0.87 . . . . 0.0 109.039 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.03 89.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.374 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.432 HG23 ' N ' ' D' ' 5' ' ' TRP . 24.2 m -61.46 -37.79 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.246 -0.909 . . . . 0.0 108.998 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 5' ' ' TRP . . . . . 0.432 ' N ' HG23 ' D' ' 4' ' ' VAL . 66.3 t-105 -64.93 -42.02 95.03 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.037 -1.039 . . . . 0.0 109.907 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.94 -49.94 74.12 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.345 -0.847 . . . . 0.0 112.396 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -60.63 -33.34 72.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.613 -1.304 . . . . 0.0 111.004 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.433 HD13 HD11 ' B' ' 57' ' ' ILE . 22.5 tp -60.03 -50.06 75.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.858 -1.151 . . . . 0.0 110.561 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.46 -39.55 94.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.85 -1.156 . . . . 0.0 109.028 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 96.1 p -59.97 -41.9 92.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 0.0 110.645 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -69.81 -39.94 76.22 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.91 -1.119 . . . . 0.0 109.819 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.481 ' NE2' ' CZ ' ' B' ' 44' ' ' PHE . 63.9 tt0 . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.05 -1.031 . . . . 0.0 109.087 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.458 ' HA2' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.879 0 N-CA-C 119.554 2.582 . . . . 0.0 119.554 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -108.51 -13.48 14.83 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -1.012 . . . . 0.0 110.288 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 56.0 mp0 -60.53 -57.4 12.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.816 -1.177 . . . . 0.0 110.353 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -51.92 -54.73 25.99 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.43 -1.419 . . . . 0.0 108.278 -178.747 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -45.42 -45.21 12.69 Favored 'General case' 0 C--N 1.29 -1.992 0 O-C-N 121.877 -0.515 . . . . 0.0 109.959 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 19.9 p -66.32 -32.39 73.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.913 -1.117 . . . . 0.0 110.798 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.27 89.93 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.765 -1.209 . . . . 0.0 111.599 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.69 -40.11 84.38 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.128 -1.608 . . . . 0.0 111.171 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.42 -44.7 86.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.875 -1.141 . . . . 0.0 111.835 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.532 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.4 t -73.85 -44.86 54.25 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -71.37 -29.45 64.97 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.89 -0.506 . . . . 0.0 112.131 -177.426 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.3 -35.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.197 -1.565 . . . . 0.0 109.269 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.13 -40.02 88.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.72 -1.238 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.14 -38.62 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.485 -0.759 . . . . 0.0 109.486 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -51.19 -59.06 4.6 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.374 -0.829 . . . . 0.0 111.48 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -71.4 -22.89 61.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.68 -0.637 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -53.3 59.44 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.772 -1.205 . . . . 0.0 110.271 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.41 -39.31 77.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.549 ' OG ' HD11 ' A' ' 28' ' ' LEU . 13.8 m -63.26 -6.9 5.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.137 -0.977 . . . . 0.0 111.014 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.0 18.12 58.03 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -95.08 -70.85 0.69 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.195 -1.18 . . . . 0.0 108.09 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 74.3 mm-40 -128.64 61.97 1.48 Allowed 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.782 -0.574 . . . . 0.0 110.114 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -159.39 -161.63 11.39 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 56.0 t0 -91.33 156.62 17.64 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.779 -1.424 . . . . 0.0 107.361 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 44.8 mmtm -52.45 -32.45 39.54 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.869 -1.144 . . . . 0.0 108.687 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.24 15.98 11.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.891 -1.131 . . . . 0.0 113.605 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.9 148.05 43.12 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 121.096 1.771 . . . . 0.0 110.139 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' OG ' ' A' ' 19' ' ' SER . 2.3 mm? -95.74 161.06 14.18 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.568 1.175 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.432 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 58.1 m -126.66 160.06 31.84 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 33' ' ' LEU . 75.5 tttt -44.6 -38.82 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.974 -1.079 . . . . 0.0 111.236 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -80.87 -24.31 38.45 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.765 -1.209 . . . . 0.0 112.343 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 96.3 mt-10 -82.74 -40.02 21.1 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.225 -1.547 . . . . 0.0 110.873 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 30' ' ' LYS . 2.9 pp -71.55 -36.99 71.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.243 -0.911 . . . . 0.0 109.96 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.97 -45.4 92.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.93 -25.17 58.7 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.012 -1.055 . . . . 0.0 110.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.31 -39.96 93.15 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 121.423 -0.798 . . . . 0.0 111.98 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -84.25 -36.01 23.01 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.806 -1.184 . . . . 0.0 112.785 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.523 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.4 pp0? -69.93 -33.39 72.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.528 -1.358 . . . . 0.0 110.237 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.523 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 92.6 m -82.15 -52.41 7.01 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.295 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' OE1' ' HA2' ' B' ' 1' ' ' GLY . 54.0 mm-40 -79.99 -60.05 2.49 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.695 -0.628 . . . . 0.0 111.542 -177.509 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.18 56.65 2.24 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 122.333 1.063 . . . . 0.0 109.453 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -69.89 -11.2 60.69 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.606 -0.684 . . . . 0.0 110.219 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -71.9 -21.42 61.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.184 -0.947 . . . . 0.0 113.15 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.504 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 44.9 t80 -160.45 -40.82 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.828 -1.795 . . . . 0.0 111.909 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.9 mm? -61.37 132.96 55.21 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 117.753 -1.579 . . . . 0.0 107.103 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.574 ' C ' HG13 ' A' ' 47' ' ' VAL . 39.3 p-10 -82.67 -128.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.701 -1.249 . . . . 0.0 111.745 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 47' ' ' VAL . 0.7 OUTLIER 72.1 17.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -176.559 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -122.51 9.38 9.64 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -175.86 -29.54 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.546 -0.721 . . . . 0.0 109.269 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -94.16 98.58 11.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 109.677 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.37 72.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.69 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.228 -0.92 . . . . 0.0 108.938 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' CB ' ' OD2' ' A' ' 46' ' ' ASP . . . -61.57 -39.98 93.12 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.347 -0.846 . . . . 0.0 111.238 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.91 -55.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 121.043 -1.035 . . . . 0.0 112.362 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.04 -41.37 95.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.712 -1.243 . . . . 0.0 111.517 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -71.4 -39.94 70.84 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.225 -0.922 . . . . 0.0 111.464 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.6 mt -75.0 -53.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.839 -1.163 . . . . 0.0 110.637 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.7 ppp? -63.76 -42.28 97.84 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.126 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' ' 58' ' ' MET . 78.1 tttt -68.03 -39.71 83.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 109.717 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -86.25 -17.32 35.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.973 -1.079 . . . . 0.0 108.777 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 63' ' ' GLU . 55.6 tp -87.57 -16.62 34.05 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.5 m-20 -92.65 47.39 1.29 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 102.641 -3.096 . . . . 0.0 102.641 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 18.2 pt-20 -46.74 -19.78 0.11 Allowed 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 111.31 -2.677 . . . . 0.0 109.977 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.7 m-20 -87.05 3.23 46.92 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 62.77 40.42 99.19 Favored Glycine 0 N--CA 1.496 2.635 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.774 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 42.7 p-10 -102.22 -16.7 16.24 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.842 -1.387 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.07 70.88 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 45.1 mt-10 -123.33 140.09 53.37 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.52 129.29 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.124 -0.985 . . . . 0.0 110.745 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.3 157.74 29.1 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.517 -0.739 . . . . 0.0 109.489 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CE2' ' CG1' ' B' ' 83' ' ' VAL . 0.0 OUTLIER -62.33 -28.33 69.67 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.205 -0.935 . . . . 0.0 110.635 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.3 tt0 -70.53 -40.0 73.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.538 -1.351 . . . . 0.0 109.166 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.1 -40.0 75.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 78' ' ' VAL . 20.9 t80 -64.31 -52.39 58.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.582 -0.699 . . . . 0.0 112.049 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.98 -35.23 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.718 -0.614 . . . . 0.0 112.13 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.25 -58.75 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.917 -1.115 . . . . 0.0 111.949 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.21 -40.12 78.17 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.074 -1.016 . . . . 0.0 112.325 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.1 m -69.98 -37.52 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 111.205 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.84 -24.02 58.53 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.668 -0.645 . . . . 0.0 109.454 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.51 -29.59 67.24 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 mt -83.83 -36.69 23.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.619 -0.676 . . . . 0.0 109.259 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -64.22 -49.94 69.99 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.4 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.53 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 71.3 t -69.84 -40.98 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-O 121.752 0.787 . . . . 0.0 109.873 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.13 -34.03 74.34 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.738 0.78 . . . . 0.0 109.696 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.517 ' SG ' ' CE3' ' A' ' 90' ' ' TRP . 48.4 t -62.62 -39.95 95.43 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.83 -36.01 75.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.642 -0.661 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.445 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 24.8 t-20 -59.95 -40.18 88.12 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.297 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -76.61 -19.86 57.38 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.969 -1.082 . . . . 0.0 109.982 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 87.5 m-85 53.06 70.27 0.6 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.997 -1.065 . . . . 0.0 109.774 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.517 ' CE3' ' SG ' ' A' ' 85' ' ' CYS . 33.5 p90 -60.11 -27.04 66.7 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.337 -0.852 . . . . 0.0 110.075 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.95 -10.55 57.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.166 -0.959 . . . . 0.0 109.232 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -63.64 -34.46 77.89 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.303 -1.454 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.874 179.384 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.452 ' HA2' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.364 2.506 . . . . 0.0 119.364 . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -108.41 -13.15 14.92 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.528 -0.984 . . . . 0.0 110.281 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.452 ' O ' ' OG1' ' B' ' 6' ' ' THR . 56.0 mp0 -60.55 -57.67 11.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.757 -1.214 . . . . 0.0 110.314 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -55.33 17.97 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.493 -1.379 . . . . 0.0 108.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -45.27 -45.05 11.8 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.941 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 19.3 p -66.67 -32.22 73.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.927 -1.108 . . . . 0.0 110.715 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.32 89.76 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.845 -1.159 . . . . 0.0 111.532 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.54 -40.13 85.03 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.259 -1.525 . . . . 0.0 111.162 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.56 -44.65 86.11 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.095 -1.003 . . . . 0.0 111.735 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.3 t -74.08 -44.51 53.77 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.207 -0.933 . . . . 0.0 111.454 -176.603 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.705 ' C ' HD12 ' B' ' 11' ' ' LEU . 0.3 OUTLIER -71.7 -29.51 64.65 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.825 -0.547 . . . . 0.0 112.047 -177.514 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.33 -36.86 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 119.987 -1.696 . . . . 0.0 108.912 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.37 -40.19 85.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.9 -1.125 . . . . 0.0 109.603 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.44 -39.29 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.309 -0.869 . . . . 0.0 109.497 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -50.81 -59.02 4.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.69 0.757 . . . . 0.0 111.586 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -71.37 -23.0 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.704 -0.622 . . . . 0.0 111.035 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -53.43 57.94 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.698 -1.252 . . . . 0.0 110.207 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.053 -1.029 . . . . 0.0 110.636 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.563 ' OG ' HD11 ' B' ' 28' ' ' LEU . 13.8 m -63.14 -6.49 4.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.151 -0.968 . . . . 0.0 110.96 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.15 17.45 59.27 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -94.44 -71.0 0.68 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -1.175 . . . . 0.0 108.269 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.403 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 74.7 mm-40 -128.37 62.08 1.46 Allowed 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.864 -0.523 . . . . 0.0 110.09 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -159.4 -161.31 11.11 Favored Glycine 0 N--CA 1.498 2.807 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 55.7 t0 -91.46 156.73 17.5 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.52 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 44.9 mmtm -52.52 -32.59 41.21 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 118.925 -1.11 . . . . 0.0 108.63 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.05 15.7 11.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.898 -1.126 . . . . 0.0 113.648 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.68 148.19 43.7 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 121.188 1.813 . . . . 0.0 110.149 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' B' ' 19' ' ' SER . 2.3 mm? -95.74 160.98 14.22 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 122.515 1.15 . . . . 0.0 111.24 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.426 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 57.0 m -126.46 160.21 31.16 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.407 ' HA ' HD21 ' B' ' 33' ' ' LEU . 74.9 tttt -44.68 -38.92 4.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 111.248 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -80.98 -23.87 38.45 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.698 -1.251 . . . . 0.0 112.45 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 96.4 mt-10 -82.82 -40.48 20.3 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.234 -1.541 . . . . 0.0 110.86 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' B' ' 30' ' ' LYS . 2.9 pp -71.07 -37.12 72.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.878 . . . . 0.0 109.981 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.03 -45.15 93.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -75.3 -24.92 57.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.96 -1.087 . . . . 0.0 110.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.46 -39.84 92.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.502 -0.749 . . . . 0.0 112.002 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.1 mt -84.1 -36.74 22.75 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.846 -1.159 . . . . 0.0 112.727 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.532 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.4 pp0? -69.08 -33.66 73.9 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.6 -1.312 . . . . 0.0 110.339 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.532 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 92.5 m -81.99 -52.51 6.97 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.671 0.748 . . . . 0.0 111.421 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.458 ' OE1' ' HA2' ' A' ' 1' ' ' GLY . 54.5 mm-40 -79.95 -60.03 2.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.658 -0.651 . . . . 0.0 111.554 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.22 56.71 2.24 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.333 1.063 . . . . 0.0 109.438 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 p -69.94 -11.5 60.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.755 . . . . 0.0 110.241 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.6 p -71.61 -21.49 61.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.218 -0.927 . . . . 0.0 113.091 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.481 ' CZ ' ' NE2' ' D' ' 12' ' ' GLN . 45.1 t80 -160.31 -40.93 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 119.738 -1.851 . . . . 0.0 111.825 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 1.9 mm? -61.39 132.96 55.2 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 117.77 -1.572 . . . . 0.0 107.164 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.567 ' C ' HG13 ' B' ' 47' ' ' VAL . 39.0 p-10 -82.76 -128.48 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 0.0 111.71 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 47' ' ' VAL . 0.7 OUTLIER 72.17 17.37 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 -176.344 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -122.16 9.03 9.8 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -175.71 -29.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.645 -0.659 . . . . 0.0 109.35 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -94.37 98.47 10.92 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.813 . . . . 0.0 109.515 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.07 71.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -60.2 -40.11 88.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.965 . . . . 0.0 108.882 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.497 ' CB ' ' OD2' ' B' ' 46' ' ' ASP . . . -62.69 -37.05 84.91 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.426 -0.796 . . . . 0.0 111.708 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.3 t -70.13 -55.53 14.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 120.893 -1.129 . . . . 0.0 112.268 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -64.94 -41.37 95.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.686 -1.259 . . . . 0.0 111.594 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -71.48 -39.91 70.58 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.197 -0.939 . . . . 0.0 111.412 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -74.95 -53.73 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 120.794 -1.191 . . . . 0.0 110.633 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -62.63 -42.98 99.9 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.273 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' N ' ' SD ' ' B' ' 58' ' ' MET . 77.1 tttt -68.23 -39.74 82.24 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.407 -0.808 . . . . 0.0 109.772 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.402 ' OE1' ' CG1' ' D' ' 4' ' ' VAL . 98.2 mt-10 -86.24 -17.27 35.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.015 -1.053 . . . . 0.0 108.724 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.3 tp -87.75 -16.74 33.37 Favored 'General case' 0 N--CA 1.507 2.408 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 65' ' ' GLY . 46.3 m-20 -92.62 47.65 1.32 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 102.627 -3.101 . . . . 0.0 102.627 173.443 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.3 pt-20 -46.92 -19.61 0.11 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 111.21 -2.723 . . . . 0.0 110.064 -177.745 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 89.4 m-20 -87.3 3.54 46.36 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.621 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 63.48 37.94 95.57 Favored Glycine 0 N--CA 1.497 2.729 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.063 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 43.4 p-10 -100.11 -17.07 17.61 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 120.745 -1.444 . . . . 0.0 111.072 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.71 71.86 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 44.8 mt-10 -123.25 140.6 52.85 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.53 129.44 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.043 -1.036 . . . . 0.0 110.762 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.22 158.0 29.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.502 -0.748 . . . . 0.0 109.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -62.5 -28.32 69.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.229 -0.919 . . . . 0.0 110.611 179.269 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.9 tt0 -70.56 -40.05 73.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.439 -1.413 . . . . 0.0 109.1 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.06 -40.05 75.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.212 -0.93 . . . . 0.0 110.289 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.805 ' O ' HG22 ' B' ' 78' ' ' VAL . 22.4 t80 -64.28 -52.78 56.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.573 -0.704 . . . . 0.0 111.999 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.82 -35.37 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.741 -0.6 . . . . 0.0 112.119 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.05 -58.78 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.862 -1.148 . . . . 0.0 112.133 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.04 -40.0 78.85 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.967 -1.083 . . . . 0.0 112.348 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.805 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.9 m -70.09 -37.38 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.868 -1.145 . . . . 0.0 111.435 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.503 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.82 -24.49 58.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.627 -0.671 . . . . 0.0 109.392 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.31 -23.44 61.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.173 -0.954 . . . . 0.0 108.924 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 -36.22 15.88 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -64.44 -49.9 69.67 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.402 -0.919 . . . . 0.0 109.329 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.494 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 72.3 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 109.864 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.51 73.46 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.741 0.782 . . . . 0.0 109.686 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.518 ' SG ' ' CE3' ' B' ' 90' ' ' TRP . 45.2 t -62.96 -40.02 96.44 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.696 0.76 . . . . 0.0 109.003 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -59.94 -36.0 76.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.442 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 24.9 t-20 -59.92 -39.97 87.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.966 . . . . 0.0 109.416 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -77.03 -19.31 57.37 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.906 -1.121 . . . . 0.0 109.978 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.442 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 87.4 m-85 52.71 70.27 0.59 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.03 -1.044 . . . . 0.0 109.893 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.518 ' CE3' ' SG ' ' B' ' 85' ' ' CYS . 33.3 p90 -59.99 -26.94 66.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.2 -0.938 . . . . 0.0 110.143 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -69.02 -10.67 58.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.016 -1.052 . . . . 0.0 109.125 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -63.51 -35.09 79.32 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.302 -1.498 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.95 179.452 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' C' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.048 0.452 . . . . 0.0 109.831 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 84.8 tttt 56.67 -75.57 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.486 -0.759 . . . . 0.0 110.977 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' C' ' 1' ' ' LYS . . . -59.52 -50.37 74.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.897 -1.127 . . . . 0.0 109.847 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 4' ' ' VAL . . . . . 0.443 HG13 ' N ' ' C' ' 5' ' ' TRP . 7.8 p -60.15 -38.94 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.166 -0.959 . . . . 0.0 109.205 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.443 ' N ' HG13 ' C' ' 4' ' ' VAL . 72.3 t-105 -59.88 -42.08 92.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.58 -0.7 . . . . 0.0 109.788 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -61.85 -37.57 85.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.261 -0.899 . . . . 0.0 110.526 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.528 ' NZ ' ' N ' ' A' ' 53' ' ' ALA . 4.8 tmtt? -59.53 -48.61 80.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.012 -1.055 . . . . 0.0 111.179 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.81 -41.82 74.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.519 -1.363 . . . . 0.0 110.475 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' C' ' 11' ' ' LYS . 2.9 mm? -63.45 -32.42 73.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.98 -1.075 . . . . 0.0 108.728 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p -73.04 5.83 3.1 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.486 ' O ' ' OXT' ' C' ' 12' ' ' GLN . 69.1 mmtt 60.75 39.74 16.97 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.486 ' OXT' ' O ' ' C' ' 11' ' ' LYS . 63.7 tt0 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.087 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' D' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 85.0 tttt 56.55 -75.77 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.507 -0.746 . . . . 0.0 111.047 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' D' ' 1' ' ' LYS . . . -59.47 -50.16 75.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.903 -1.123 . . . . 0.0 109.923 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 4' ' ' VAL . . . . . 0.457 HG13 ' N ' ' D' ' 5' ' ' TRP . 7.6 p -60.21 -39.09 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.245 -0.909 . . . . 0.0 109.056 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' TRP . . . . . 0.457 ' N ' HG13 ' D' ' 4' ' ' VAL . 72.1 t-105 -60.03 -41.79 92.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.558 -0.714 . . . . 0.0 109.823 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -61.83 -37.62 85.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.322 -0.861 . . . . 0.0 110.598 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.617 ' NZ ' ' N ' ' B' ' 53' ' ' ALA . 6.3 tmtt? -59.53 -48.5 81.42 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.988 -1.07 . . . . 0.0 111.19 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.77 -42.43 73.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.598 -1.314 . . . . 0.0 110.376 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' D' ' 11' ' ' LYS . 3.2 mm? -62.79 -32.87 74.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.002 . . . . 0.0 108.676 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -72.8 5.61 3.09 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.486 ' O ' ' OXT' ' D' ' 12' ' ' GLN . 69.5 mmtt 60.73 39.71 17.08 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.486 ' OXT' ' O ' ' D' ' 11' ' ' LYS . 63.9 tt0 . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 117.806 -1.092 . . . . 0.0 110.161 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.912 0 N-CA-C 119.507 2.563 . . . . 0.0 119.507 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -106.84 -5.84 18.08 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.557 -0.967 . . . . 0.0 108.867 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 -63.09 -53.02 60.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.455 -0.778 . . . . 0.0 110.065 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.408 HD13 HD23 ' B' ' 11' ' ' LEU . 14.3 tp -59.84 -36.68 77.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.428 -0.795 . . . . 0.0 109.919 -177.532 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -44.87 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.288 -0.883 . . . . 0.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 32.1 p -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.594 -0.691 . . . . 0.0 110.051 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.97 -46.79 75.12 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.513 -0.742 . . . . 0.0 109.524 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.4 mmm -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.121 -0.987 . . . . 0.0 109.898 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.92 -39.88 95.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 0.0 110.445 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 23.0 p -70.53 -47.12 61.94 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 112.291 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.12 -39.96 88.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.566 -0.709 . . . . 0.0 111.125 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.42 -29.94 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 111.3 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.413 HD22 ' HG2' ' B' ' 3' ' ' GLU . 42.8 t30 -60.54 -40.01 89.97 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.199 -1.563 . . . . 0.0 108.57 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -80.5 -36.57 16.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.94 -52.67 64.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.948 -1.095 . . . . 0.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -71.76 -28.26 63.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.686 -0.634 . . . . 0.0 111.101 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -59.82 2.7 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.66 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 48.9 m-70 -66.46 -40.06 89.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.725 -1.235 . . . . 0.0 111.968 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.8 p -68.34 -17.53 64.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.107 -0.996 . . . . 0.0 112.37 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.44 16.17 24.45 Favored Glycine 0 N--CA 1.502 3.086 0 O-C-N 121.186 -0.946 . . . . 0.0 111.818 -177.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -67.98 -30.48 69.76 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 119.94 1.87 . . . . 0.0 108.393 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -100.18 0.37 40.35 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.925 -0.485 . . . . 0.0 109.881 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.17 34.38 37.39 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 119.818 -1.182 . . . . 0.0 110.686 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.58 46.35 1.37 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.95 -1.323 . . . . 0.0 108.974 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 49.62 -133.37 1.58 Allowed 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -125.37 76.35 1.55 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 122.226 1.012 . . . . 0.0 109.814 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.6 150.92 26.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -97.49 160.1 14.52 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.598 1.189 . . . . 0.0 111.396 -177.603 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.509 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 42.3 t -128.95 163.36 25.49 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -51.01 -40.0 57.13 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.171 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -75.46 -30.0 59.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.596 -1.315 . . . . 0.0 112.083 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB2' ' H ' ' A' ' 29' ' ' SER . 94.5 mt-10 -75.5 -34.4 60.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.585 -1.322 . . . . 0.0 108.569 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.95 -40.04 75.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.769 -0.582 . . . . 0.0 111.624 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.64 -39.97 94.63 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.786 -1.196 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 50.8 t0 -79.66 -31.09 41.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.944 -1.097 . . . . 0.0 110.394 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.0 -40.08 78.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.26 -0.9 . . . . 0.0 112.279 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.631 HD21 ' CE2' ' A' ' 74' ' ' PHE . 90.8 mt -82.8 -38.55 22.96 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.567 -1.333 . . . . 0.0 112.049 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.553 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.5 pp0? -69.51 -37.72 77.29 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.656 -1.278 . . . . 0.0 110.396 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.553 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 76.0 m -80.13 -66.49 0.87 Allowed 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.363 -178.017 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 30.9 mp0 -69.4 -40.13 77.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.728 -0.607 . . . . 0.0 111.433 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.8 69.95 0.7 Allowed 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 122.409 1.099 . . . . 0.0 110.287 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.4 p -81.98 -149.89 0.08 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.7 t 45.3 -10.81 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' A' ' 42' ' ' SER . 92.6 m-85 -145.1 -75.42 0.22 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.019 -1.676 . . . . 0.0 111.127 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 mm? -61.24 131.78 51.5 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.822 -1.174 . . . . 0.0 108.945 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 96.3 m-20 -114.29 146.88 39.9 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 2.4 m -153.72 -37.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.41 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 96.3 mt-30 -75.22 -50.34 16.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.409 -0.807 . . . . 0.0 111.631 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 10.3 ptpt -68.28 -39.96 81.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.051 -1.031 . . . . 0.0 111.143 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' ASP . 49.0 t0 -99.31 102.9 14.66 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.988 -1.07 . . . . 0.0 109.768 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.65 -36.04 67.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.383 -0.823 . . . . 0.0 109.541 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.9 -39.41 85.28 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.528 ' N ' ' NZ ' ' C' ' 7' ' ' LYS . . . -63.11 -37.68 88.16 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.597 -0.689 . . . . 0.0 111.257 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 62.0 t -69.73 -56.0 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.839 -1.163 . . . . 0.0 111.912 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -67.01 -40.16 87.24 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.565 -1.334 . . . . 0.0 110.958 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -70.51 -40.01 73.78 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.027 -1.046 . . . . 0.0 111.617 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 61' ' ' LEU . 97.8 mt -78.1 -55.01 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.115 -0.99 . . . . 0.0 110.031 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.28 -45.39 93.5 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.781 -0.575 . . . . 0.0 111.362 -178.109 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -68.58 -39.29 81.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.03 . . . . 0.0 109.968 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -85.36 -16.71 38.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.978 -1.076 . . . . 0.0 108.724 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' ILE . 68.1 tp -85.82 -16.41 38.82 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -91.29 47.16 1.36 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 174.382 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.3 tt0 -47.59 -22.9 0.55 Allowed 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.619 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.27 0.02 54.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.757 -1.215 . . . . 0.0 107.919 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 66.08 34.62 88.86 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 10.5 p-10 -100.64 -18.53 16.52 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.087 -1.243 . . . . 0.0 110.416 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.35 -0.22 85.08 Favored Glycine 0 N--CA 1.498 2.809 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.526 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 94.1 mt-10 -125.11 141.83 51.87 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.2 t -104.86 125.36 59.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 CA-C-O 122.028 0.918 . . . . 0.0 110.181 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 10.3 t70 -77.89 160.33 28.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.423 -0.798 . . . . 0.0 108.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 11.9 p90 -58.41 -28.32 65.11 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.083 -1.01 . . . . 0.0 110.629 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 76' ' ' VAL . 88.0 mt-30 -70.01 -40.08 75.45 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.349 -1.469 . . . . 0.0 109.553 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.54 -39.97 64.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.006 -1.059 . . . . 0.0 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CE2' HD21 ' A' ' 37' ' ' LEU . 6.7 t80 -67.68 -40.67 84.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.479 -0.763 . . . . 0.0 111.322 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.81 -31.97 27.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 O-C-N 121.354 -0.841 . . . . 0.0 110.502 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 72' ' ' GLN . 41.8 t -72.08 -59.32 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 111.716 -178.653 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.3 tt -69.99 -40.01 75.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.77 -1.207 . . . . 0.0 112.047 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.23 -39.89 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 120.675 -1.266 . . . . 0.0 110.164 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.4 -24.36 59.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.221 -0.925 . . . . 0.0 109.055 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.55 -27.15 65.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.794 -1.191 . . . . 0.0 109.989 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.81 -33.32 15.02 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.98 -1.075 . . . . 0.0 110.172 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.7 t -64.32 -49.62 71.02 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.544 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' A' ' 82' ' ' THR . 60.9 t -75.04 -41.76 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.898 -1.126 . . . . 0.0 110.749 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.59 75.77 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.534 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.83 -41.32 97.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.37 -0.831 . . . . 0.0 109.097 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' O ' ' CE1' ' A' ' 89' ' ' PHE . 43.2 t30 -60.29 -41.4 93.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.487 -0.758 . . . . 0.0 110.562 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -60.02 -43.1 95.51 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.046 -1.033 . . . . 0.0 110.975 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' A' ' 89' ' ' PHE . 65.4 m-85 -69.96 -30.21 67.52 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.942 -1.099 . . . . 0.0 110.4 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' A' ' 88' ' ' PHE . 64.2 m-85 53.67 172.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 109.485 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.3 m-90 -82.73 -10.61 58.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 109.368 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.11 -39.95 87.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.472 -0.767 . . . . 0.0 109.435 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -105.64 -27.92 11.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.251 -0.906 . . . . 0.0 108.741 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.9 t . . . . . 0 C--N 1.303 -1.428 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.896 -178.785 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.876 0 N-CA-C 119.306 2.483 . . . . 0.0 119.306 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -106.64 -5.54 18.56 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.488 -1.007 . . . . 0.0 108.764 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.8 mp0 -63.34 -53.02 59.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.488 -0.758 . . . . 0.0 110.074 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.94 -36.46 77.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.41 -0.806 . . . . 0.0 109.905 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.12 -45.1 87.89 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.115 0.96 . . . . 0.0 109.169 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 33.2 p -67.87 -31.33 71.06 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.504 -0.747 . . . . 0.0 109.939 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -56.59 -45.95 81.11 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.408 -0.917 . . . . 0.0 109.294 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -59.97 -40.06 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.665 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.9 -39.98 96.15 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.584 0.707 . . . . 0.0 110.281 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 22.4 p -70.31 -47.14 62.46 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.529 -0.732 . . . . 0.0 112.173 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.408 HD23 HD13 ' A' ' 4' ' ' LEU . 59.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.513 -0.742 . . . . 0.0 111.356 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -80.9 -31.3 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.198 -0.939 . . . . 0.0 110.993 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -39.86 87.35 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 120.468 -1.395 . . . . 0.0 108.031 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -80.4 -36.52 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.06 -52.5 65.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.939 -1.101 . . . . 0.0 111.218 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -71.97 -28.02 63.16 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.648 -0.657 . . . . 0.0 111.022 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.81 -59.89 2.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.638 -1.288 . . . . 0.0 110.596 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.54 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 49.3 m-70 -66.52 -39.96 88.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.801 -1.187 . . . . 0.0 111.932 -177.218 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -68.45 -17.33 64.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 112.332 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.61 15.43 24.41 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.769 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -67.45 -30.45 70.18 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.028 -1.866 . . . . 0.0 108.503 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -100.21 0.34 40.22 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.853 -0.529 . . . . 0.0 109.982 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.09 34.6 37.01 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 119.836 -1.173 . . . . 0.0 110.642 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.82 46.79 1.42 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.959 -1.318 . . . . 0.0 108.864 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 49.11 -133.26 1.53 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.46 76.47 1.56 Allowed 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 122.167 0.984 . . . . 0.0 109.759 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.94 150.85 26.31 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.42 160.13 14.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.724 1.25 . . . . 0.0 111.516 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.513 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.9 t -128.83 163.29 25.53 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -50.89 -39.96 55.5 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.353 -1.339 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -75.82 -29.74 58.75 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.569 -1.332 . . . . 0.0 112.069 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' B' ' 29' ' ' SER . 94.3 mt-10 -75.64 -34.26 60.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.457 -1.402 . . . . 0.0 108.54 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.93 -40.08 75.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.653 -0.654 . . . . 0.0 111.61 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.5 -39.99 94.82 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.795 -1.191 . . . . 0.0 111.546 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 50.5 t0 -79.63 -31.03 41.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.894 -1.128 . . . . 0.0 110.329 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.01 -40.01 78.95 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.266 -0.897 . . . . 0.0 112.378 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' B' ' 74' ' ' PHE . 90.8 mt -82.68 -39.53 21.91 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.564 -1.335 . . . . 0.0 111.833 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.553 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.5 pp0? -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.715 -1.241 . . . . 0.0 110.345 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.553 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 70.0 m -79.95 -66.69 0.84 Allowed 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.291 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 30.9 mp0 -69.48 -40.1 77.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 -177.591 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.79 69.92 0.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 CA-C-O 122.416 1.103 . . . . 0.0 110.245 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.63 ' O ' ' N ' ' B' ' 44' ' ' PHE . 84.0 p -81.98 -149.95 0.08 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t 45.19 -10.43 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.63 ' N ' ' O ' ' B' ' 42' ' ' SER . 91.3 m-85 -145.38 -75.27 0.22 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 119.971 -1.706 . . . . 0.0 111.232 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -61.44 131.8 51.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.848 -1.157 . . . . 0.0 108.881 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 96.8 m-20 -114.4 146.95 39.95 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 2.7 m -153.73 -37.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 97.2 mt-30 -75.2 -50.07 17.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.515 -0.741 . . . . 0.0 111.719 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.452 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 10.2 ptpt -68.51 -40.13 80.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.024 -1.048 . . . . 0.0 111.053 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -98.9 102.9 14.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.084 -1.01 . . . . 0.0 109.862 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.71 66.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.814 . . . . 0.0 109.506 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.476 ' C ' ' HZ2' ' D' ' 7' ' ' LYS . 89.6 m-20 -60.05 -38.98 84.4 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.617 ' N ' ' NZ ' ' D' ' 7' ' ' LYS . . . -63.95 -35.58 81.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.683 -0.635 . . . . 0.0 111.604 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 65.5 t -71.22 -55.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.781 -1.199 . . . . 0.0 111.942 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -66.99 -40.13 87.29 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.666 -1.271 . . . . 0.0 111.016 -177.5 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -70.52 -40.06 73.73 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.104 -0.997 . . . . 0.0 111.581 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -78.21 -54.85 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.986 . . . . 0.0 110.245 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.99 -45.67 91.96 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.738 -0.601 . . . . 0.0 111.428 -178.379 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.39 -39.61 81.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.135 -0.978 . . . . 0.0 109.939 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -85.29 -16.82 38.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.041 . . . . 0.0 108.735 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' B' ' 57' ' ' ILE . 67.7 tp -85.66 -16.32 39.52 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 0.3 OUTLIER -91.42 46.88 1.33 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 103.099 -2.926 . . . . 0.0 103.099 174.415 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.4 tt0 -47.27 -22.83 0.45 Allowed 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 111.633 -2.53 . . . . 0.0 109.572 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -86.32 0.02 54.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.848 -1.157 . . . . 0.0 108.061 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 66.88 32.72 81.86 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.737 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 10.8 p-10 -99.57 -19.0 17.09 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.987 -1.302 . . . . 0.0 110.409 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.58 0.0 86.46 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 94.4 mt-10 -125.34 141.86 51.83 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 95.1 t -104.42 125.42 59.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-O 121.946 0.879 . . . . 0.0 110.252 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 10.4 t70 -77.59 160.29 28.66 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.419 -0.801 . . . . 0.0 109.039 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 12.7 p90 -58.39 -28.4 65.15 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.137 -0.977 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.472 ' O ' HG23 ' B' ' 76' ' ' VAL . 88.5 mt-30 -70.11 -39.95 75.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.312 -1.492 . . . . 0.0 109.573 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.54 -40.06 64.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.113 . . . . 0.0 110.329 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.634 ' CE2' HD21 ' B' ' 37' ' ' LEU . 5.8 t80 -67.78 -40.24 84.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 71' ' ' PHE . 9.4 p -75.09 -31.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.458 -0.776 . . . . 0.0 110.454 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 72' ' ' GLN . 45.7 t -72.24 -58.99 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.214 -0.929 . . . . 0.0 111.66 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.79 -1.194 . . . . 0.0 111.87 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.51 -39.88 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.773 -1.204 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.77 59.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.074 -1.016 . . . . 0.0 109.129 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.02 -22.09 63.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.816 -1.178 . . . . 0.0 110.623 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -95.78 -33.67 12.18 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.792 -1.192 . . . . 0.0 109.739 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.8 t -64.14 -49.46 72.06 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.555 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' B' ' 82' ' ' THR . 59.3 t -75.27 -41.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.959 -1.088 . . . . 0.0 110.712 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.42 75.58 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.487 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.68 -41.4 98.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.237 -0.914 . . . . 0.0 109.056 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.411 ' O ' ' CE1' ' B' ' 89' ' ' PHE . 42.8 t30 -60.43 -41.2 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.452 -0.78 . . . . 0.0 110.653 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -59.97 -43.2 95.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 110.917 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' B' ' 89' ' ' PHE . 65.2 m-85 -70.01 -30.02 67.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.883 -1.136 . . . . 0.0 110.426 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' B' ' 88' ' ' PHE . 63.5 m-85 53.5 172.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 109.547 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -82.75 -10.67 58.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 0.0 109.326 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.437 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -105.58 -28.02 11.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.258 -0.901 . . . . 0.0 108.811 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.9 -178.777 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.07 -40.67 90.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.375 -0.828 . . . . 0.0 109.952 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.23 90.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.103 -0.998 . . . . 0.0 109.789 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.54 -44.24 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.283 -0.885 . . . . 0.0 109.525 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -59.98 -47.77 84.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.888 . . . . 0.0 109.837 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -63.64 -40.01 95.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.931 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.97 -43.61 94.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 109.597 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 57' ' ' ILE . 21.1 tp -60.12 -51.61 68.89 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.805 . . . . 0.0 110.872 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.881 -1.137 . . . . 0.0 110.336 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 89.6 p -62.36 -42.49 99.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.941 -1.099 . . . . 0.0 109.673 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.8 -40.07 76.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.368 -0.832 . . . . 0.0 109.564 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 118.028 -0.986 . . . . 0.0 109.636 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -60.06 -40.95 91.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.386 -0.821 . . . . 0.0 109.851 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.0 90.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.039 -1.038 . . . . 0.0 109.865 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.67 -44.16 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.262 -0.898 . . . . 0.0 109.41 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -60.02 -47.95 83.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.238 -0.914 . . . . 0.0 109.794 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -63.54 -39.96 95.76 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.168 -0.958 . . . . 0.0 110.013 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.94 -43.5 94.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.102 -0.999 . . . . 0.0 109.612 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.662 HD13 HD11 ' B' ' 57' ' ' ILE . 21.7 tp -60.2 -51.61 68.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.358 -0.838 . . . . 0.0 110.83 -179.036 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 59.4 mt -70.04 -39.97 75.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.932 -1.105 . . . . 0.0 110.319 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 88.9 p -62.31 -42.56 99.47 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -69.62 -40.08 76.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.299 -0.876 . . . . 0.0 109.599 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.582 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.832 0 N-CA-C 119.4 2.52 . . . . 0.0 119.4 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -108.34 -4.08 17.76 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.568 -0.96 . . . . 0.0 109.086 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' A' ' 6' ' ' THR . 58.0 mp0 -64.43 -52.4 58.31 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.819 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.65 ' HB2' HG21 ' B' ' 14' ' ' VAL . 17.1 tp -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.444 0.64 . . . . 0.0 110.25 -178.028 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.7 -48.69 77.13 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.103 0.954 . . . . 0.0 109.683 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 16.4 p -65.39 -28.96 69.63 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.306 0.574 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.432 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.8 -48.05 78.84 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.388 -0.82 . . . . 0.0 109.549 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -60.05 -39.98 87.84 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.985 -1.072 . . . . 0.0 109.273 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.72 -39.99 90.68 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.452 -0.78 . . . . 0.0 110.341 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.592 ' O ' HG22 ' A' ' 14' ' ' VAL . 12.6 p -70.39 -46.35 64.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.22 0.533 . . . . 0.0 111.982 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 81.0 mt -57.41 -39.58 76.46 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.306 -0.871 . . . . 0.0 110.172 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.88 -30.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 111.506 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.35 -40.06 95.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.022 -1.674 . . . . 0.0 109.855 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.629 HG21 ' HB2' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -81.67 -37.18 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.832 -0.542 . . . . 0.0 111.259 -179.34 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.6 m-30 -58.59 -51.83 68.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.59 -23.88 56.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.534 -0.729 . . . . 0.0 111.534 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -61.01 1.99 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.792 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.37 -39.32 89.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.459 -1.4 . . . . 0.0 110.069 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -67.59 -15.7 63.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.321 -0.862 . . . . 0.0 111.279 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.4 16.97 56.39 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -95.18 -71.47 0.67 Allowed 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 32' ' ' GLU . 98.9 mt-10 -114.42 44.77 1.65 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . -96.89 144.08 17.13 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' OD2' ' OE1' ' A' ' 68' ' ' GLU . 96.2 m-20 -80.27 38.51 0.42 Allowed 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 26' ' ' TYR . 13.5 ttmm 65.85 79.82 0.24 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -178.875 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.549 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 16.3 t80 100.7 12.09 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -149.2 151.95 35.18 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 119.832 -1.792 . . . . 0.0 110.219 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.4 mm? -95.76 168.49 10.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.041 0.925 . . . . 0.0 110.562 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.5 p -127.65 159.74 33.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -48.46 -39.98 24.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.844 -1.16 . . . . 0.0 110.302 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -71.16 -30.06 65.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.075 -1.016 . . . . 0.0 112.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 42.9 mt-10 -77.45 -35.19 54.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.414 -1.429 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -71.14 -43.77 66.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.553 -0.717 . . . . 0.0 111.29 -179.348 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.69 -44.36 96.61 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.688 -1.257 . . . . 0.0 110.826 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.66 -32.63 69.97 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 112.541 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 74' ' ' PHE . 87.3 mt -83.86 -38.4 21.23 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.564 -1.335 . . . . 0.0 112.472 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.572 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.4 pp0? -70.01 -48.74 56.85 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.766 -1.209 . . . . 0.0 110.599 -178.037 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.572 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -69.96 -39.99 75.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.495 -0.753 . . . . 0.0 112.737 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -106.61 -30.61 8.91 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.289 -0.882 . . . . 0.0 112.381 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.92 68.31 0.7 Allowed 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 122.342 1.068 . . . . 0.0 109.958 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.648 ' O ' ' N ' ' A' ' 44' ' ' PHE . 13.5 m -81.17 -148.39 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.2 m 48.72 -22.18 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.648 ' N ' ' O ' ' A' ' 42' ' ' SER . 96.5 m-85 -141.79 -60.01 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.245 -1.534 . . . . 0.0 111.435 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.6 mm? -77.45 132.09 38.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.581 -1.324 . . . . 0.0 109.418 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.87 159.12 33.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.483 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 27.3 m -159.57 -34.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.461 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.1 pt20 -75.6 -41.75 53.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.611 -0.68 . . . . 0.0 112.228 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -69.85 -35.64 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.679 -1.263 . . . . 0.0 110.037 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -109.77 104.81 13.83 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.762 . . . . 0.0 110.099 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.36 74.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.344 -0.848 . . . . 0.0 109.0 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.157 -0.964 . . . . 0.0 108.639 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.49 82.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.292 -0.88 . . . . 0.0 110.379 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 30.1 t -70.12 -57.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 112.083 -177.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.407 -1.433 . . . . 0.0 111.561 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -70.1 -39.9 75.26 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 111.322 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.648 HD11 HD13 ' C' ' 8' ' ' LEU . 96.8 mt -77.49 -52.32 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 120.849 -1.157 . . . . 0.0 110.464 -177.331 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.464 ' CE ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -59.98 -48.31 82.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.511 -0.743 . . . . 0.0 110.882 -178.143 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.57 -39.12 84.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 110.238 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.25 -16.98 31.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.956 -1.09 . . . . 0.0 109.855 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' A' ' 63' ' ' GLU . 63.3 tp -80.68 -14.58 58.01 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 64' ' ' ASN . 12.1 m-20 -94.81 37.42 1.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.419 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.4 tt0 -35.71 -21.54 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 112.071 -2.331 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' ASP . 22.9 t-20 -86.03 -6.7 58.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.657 -1.277 . . . . 0.0 108.707 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 85.53 29.14 27.88 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 178.184 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.63 ' C ' ' H ' ' A' ' 68' ' ' GLU . 23.4 p-10 -109.83 114.37 27.89 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.53 15.19 0.05 OUTLIER Glycine 0 N--CA 1.491 2.351 0 C-N-CA 118.206 -1.95 . . . . 0.0 110.863 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.63 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.9 mt-10 -120.5 141.86 49.82 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.1 t -104.58 131.28 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.177 -0.952 . . . . 0.0 111.244 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 9.3 t70 -79.94 156.75 27.1 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.758 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.498 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 43.7 p90 -60.16 -38.92 84.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.237 -0.914 . . . . 0.0 110.161 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 54.6 tt0 -60.03 -40.77 90.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.097 -1.002 . . . . 0.0 110.84 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 61' ' ' LEU . 37.8 mt-10 -69.03 -40.03 78.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.775 -1.203 . . . . 0.0 110.352 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.543 ' CE2' HD21 ' A' ' 37' ' ' LEU . 20.7 t80 -62.46 -42.12 99.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 112.164 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.77 -35.2 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.915 -1.116 . . . . 0.0 111.007 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.01 -60.17 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.133 -0.98 . . . . 0.0 111.983 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.64 -40.53 73.03 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.88 -1.137 . . . . 0.0 112.511 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.14 -40.81 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.579 -1.326 . . . . 0.0 110.16 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 108.885 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.32 -26.6 68.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.86 -25.95 17.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.377 -0.827 . . . . 0.0 109.419 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -64.45 -55.04 23.47 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.409 -0.807 . . . . 0.0 110.253 -179.377 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 82' ' ' THR . 4.5 m -80.16 -34.09 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.559 -1.338 . . . . 0.0 110.726 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.1 93.89 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.939 -1.1 . . . . 0.0 110.155 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.42 -40.01 89.28 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.292 -0.88 . . . . 0.0 109.482 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.92 -39.67 86.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -60.0 -40.0 87.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.0 110.007 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -67.62 -40.03 84.67 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.856 -1.153 . . . . 0.0 109.204 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' CZ ' ' OE1' ' A' ' 91' ' ' GLU . 1.9 t80 56.28 88.14 0.05 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.229 -0.919 . . . . 0.0 109.276 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.495 ' C ' ' H ' ' A' ' 92' ' ' ASN . 83.1 m95 -61.92 -21.23 64.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 109.953 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 99.1 mt-10 -62.03 5.82 0.09 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.271 -0.893 . . . . 0.0 110.292 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 90' ' ' TRP . 91.4 m-20 -84.68 -4.05 58.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.929 -1.107 . . . . 0.0 108.39 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--N 1.302 -1.486 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.824 -179.853 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.881 0 N-CA-C 119.527 2.571 . . . . 0.0 119.527 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -108.02 -4.35 17.9 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.398 -1.06 . . . . 0.0 109.024 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -64.27 -52.61 57.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.347 -0.845 . . . . 0.0 109.71 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.629 ' HB2' HG21 ' A' ' 14' ' ' VAL . 17.9 tp -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.326 0.584 . . . . 0.0 110.282 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.53 -48.89 76.29 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.156 0.979 . . . . 0.0 109.7 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.4 p -65.19 -27.92 69.03 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.46 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.24 -46.94 85.03 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.485 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -59.93 -40.06 87.62 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.126 -0.984 . . . . 0.0 109.093 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.87 -39.94 91.1 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.706 0.765 . . . . 0.0 110.144 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.609 ' O ' HG22 ' B' ' 14' ' ' VAL . 11.8 p -70.59 -46.56 63.21 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.756 -0.59 . . . . 0.0 111.884 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.5 mt -57.04 -39.98 75.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 58.3 mt -78.58 -33.2 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 111.315 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.06 -40.14 88.43 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.164 -1.585 . . . . 0.0 109.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.65 HG21 ' HB2' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -82.0 -37.43 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.777 -0.577 . . . . 0.0 111.194 -179.057 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.5 m-30 -58.18 -52.08 67.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.085 . . . . 0.0 110.573 -178.557 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.54 -23.88 56.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.485 -0.76 . . . . 0.0 111.485 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.91 -60.9 2.04 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.378 -1.451 . . . . 0.0 110.921 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -66.38 -39.3 89.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.335 -1.478 . . . . 0.0 110.087 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 79.0 p -67.41 -15.65 63.79 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.344 -0.848 . . . . 0.0 111.241 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.45 16.4 57.8 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -94.68 -71.6 0.66 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 99.3 mt-10 -114.25 44.52 1.67 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . -96.44 144.16 17.14 Favored Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.429 ' OD2' ' OE1' ' B' ' 68' ' ' GLU . 96.2 m-20 -80.46 38.17 0.42 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' B' ' 26' ' ' TYR . 13.8 ttmm 66.21 79.79 0.23 Allowed 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.556 ' CB ' ' O ' ' B' ' 25' ' ' LYS . 16.3 t80 100.66 12.16 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.505 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -149.36 152.07 35.17 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 119.791 -1.818 . . . . 0.0 110.157 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -95.97 168.16 10.8 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.097 0.951 . . . . 0.0 110.58 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -127.33 159.42 34.46 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -48.02 -39.95 21.33 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.777 -1.202 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -71.74 -29.5 64.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.041 -1.037 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' B' ' 22' ' ' GLU . 42.7 mt-10 -77.44 -35.28 54.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.358 -1.464 . . . . 0.0 109.961 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.783 HD12 ' O ' ' B' ' 33' ' ' LEU . 0.8 OUTLIER -71.04 -43.8 67.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.731 . . . . 0.0 111.399 -179.302 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -60.45 -44.66 95.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.65 -1.281 . . . . 0.0 110.858 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.42 -32.58 70.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.58 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -40.09 95.22 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.508 -0.745 . . . . 0.0 112.619 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.536 HD21 ' CE2' ' B' ' 74' ' ' PHE . 88.8 mt -84.12 -38.14 21.09 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.529 -1.357 . . . . 0.0 112.428 -177.789 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.57 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.4 pp0? -70.08 -48.57 57.18 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.68 -1.263 . . . . 0.0 110.746 -178.175 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.57 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.5 m -70.01 -39.96 75.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 112.627 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -106.76 -30.69 8.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.173 -0.954 . . . . 0.0 112.277 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.09 68.26 0.7 Allowed 'General case' 0 N--CA 1.506 2.361 0 CA-C-O 122.279 1.038 . . . . 0.0 109.872 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.651 ' O ' ' N ' ' B' ' 44' ' ' PHE . 12.1 m -81.07 -148.16 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.071 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m 48.75 -22.15 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.651 ' N ' ' O ' ' B' ' 42' ' ' SER . 96.5 m-85 -142.04 -60.02 0.46 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.109 -1.619 . . . . 0.0 111.375 -178.055 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.8 mm? -77.48 132.13 38.27 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.594 -1.316 . . . . 0.0 109.463 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.91 158.97 33.81 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 28.6 m -159.47 -34.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.457 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.1 pt20 -75.62 -41.95 52.98 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 0.0 112.306 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -69.67 -35.93 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 110.002 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -109.62 104.71 13.78 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.451 -0.781 . . . . 0.0 110.081 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.09 74.06 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.453 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -61.07 -35.1 76.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.379 -0.826 . . . . 0.0 110.869 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 39.2 t -72.6 -56.92 8.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.134 -0.979 . . . . 0.0 111.959 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.73 -42.99 99.68 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.463 -1.398 . . . . 0.0 111.595 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.97 -40.0 75.65 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 111.316 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.662 HD11 HD13 ' D' ' 8' ' ' LEU . 96.8 mt -77.44 -52.51 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.873 -1.142 . . . . 0.0 110.462 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.483 ' HG2' HD23 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -59.99 -47.94 83.75 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.55 -0.719 . . . . 0.0 111.002 -178.11 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -67.83 -38.78 83.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.344 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.53 -17.01 31.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.026 -1.046 . . . . 0.0 109.887 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' B' ' 57' ' ' ILE . 66.2 tp -80.77 -14.37 58.14 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' B' ' 64' ' ' ASN . 12.0 m-20 -94.88 37.25 1.15 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.4 tt0 -35.67 -21.82 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 112.007 -2.36 . . . . 0.0 111.337 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 23.0 t-20 -85.76 -6.62 59.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.604 -1.31 . . . . 0.0 108.802 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.32 29.4 27.76 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.638 ' C ' ' H ' ' B' ' 68' ' ' GLU . 23.4 p-10 -109.87 114.45 28.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.47 15.15 0.05 OUTLIER Glycine 0 C--N 1.285 -2.256 0 C-N-CA 118.153 -1.975 . . . . 0.0 110.718 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.638 ' H ' ' C ' ' B' ' 66' ' ' ASP . 44.2 mt-10 -120.79 141.48 50.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.57 131.17 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.11 -0.993 . . . . 0.0 111.399 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 9.4 t70 -79.75 156.85 27.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.77 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 43.6 p90 -60.16 -39.01 84.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.23 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 54.6 tt0 -60.02 -40.64 90.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.064 -1.023 . . . . 0.0 110.846 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' B' ' 61' ' ' LEU . 37.8 mt-10 -69.23 -39.94 78.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.002 -1.061 . . . . 0.0 110.291 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.536 ' CE2' HD21 ' B' ' 37' ' ' LEU . 21.0 t80 -62.57 -41.89 99.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.575 -0.703 . . . . 0.0 112.199 -178.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.93 -35.36 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 111.024 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.12 -60.21 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 111.826 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 tp -70.44 -40.22 73.89 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.857 -1.152 . . . . 0.0 112.564 -176.647 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.96 -40.15 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.527 -1.358 . . . . 0.0 110.135 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.43 61.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.173 -0.954 . . . . 0.0 108.981 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.11 65.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.868 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.406 ' HB2' HD11 ' B' ' 45' ' ' LEU . 17.8 mt -95.95 -26.41 15.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.245 -0.909 . . . . 0.0 108.903 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.5 OUTLIER -64.39 -55.01 23.91 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.275 -179.177 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.466 ' N ' ' CG2' ' B' ' 82' ' ' THR . 5.4 m -80.08 -34.62 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.691 -1.255 . . . . 0.0 110.709 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.91 92.51 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 110.352 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.55 -40.08 88.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.92 -39.66 86.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.514 -0.741 . . . . 0.0 110.173 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -59.98 -40.01 87.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.184 -0.948 . . . . 0.0 110.033 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.64 -40.0 84.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.79 -1.194 . . . . 0.0 109.209 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.404 ' CZ ' ' OE1' ' B' ' 91' ' ' GLU . 1.9 t80 56.38 87.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 0.0 109.242 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.492 ' C ' ' H ' ' B' ' 92' ' ' ASN . 83.2 m95 -61.66 -21.39 64.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -0.808 . . . . 0.0 109.921 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.404 ' OE1' ' CZ ' ' B' ' 89' ' ' PHE . 99.0 mt-10 -62.0 5.89 0.09 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 0.0 110.314 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' B' ' 90' ' ' TRP . 91.7 m-20 -84.63 -4.36 58.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.867 -1.146 . . . . 0.0 108.34 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 C--N 1.301 -1.514 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.86 -179.835 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.409 ' H2 ' ' H ' ' C' ' 2' ' ' LYS . 4.4 mptp? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.409 ' H ' ' H2 ' ' C' ' 1' ' ' LYS . 27.5 ttpp -60.02 -39.99 87.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -0.819 . . . . 0.0 109.929 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.04 85.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.226 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.06 -40.67 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.974 -1.079 . . . . 0.0 109.503 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.66 -40.72 95.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.996 -1.065 . . . . 0.0 109.104 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -63.36 -40.09 96.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.81 -1.181 . . . . 0.0 110.166 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.29 -50.13 74.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.111 -0.993 . . . . 0.0 110.641 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' C' ' 12' ' ' GLN . 58.7 tp -70.04 -39.98 75.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.85 -40.02 95.6 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.883 . . . . 0.0 108.879 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 7.6 t -64.16 -48.84 74.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.632 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -84.42 -12.56 54.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.474 -0.766 . . . . 0.0 109.764 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' C' ' 8' ' ' LEU . 80.7 mt-30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.325 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.44 ' HD2' ' H1 ' ' D' ' 1' ' ' LYS . 4.3 mptp? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -59.99 -40.02 87.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.36 -0.838 . . . . 0.0 109.855 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.16 86.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.939 . . . . 0.0 110.273 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.06 -40.64 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.052 -1.03 . . . . 0.0 109.476 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.68 -40.85 96.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.085 -1.009 . . . . 0.0 109.09 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -63.35 -40.06 96.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.871 -1.143 . . . . 0.0 110.168 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.25 -50.17 74.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.97 . . . . 0.0 110.814 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' D' ' 12' ' ' GLN . 58.7 tp -70.0 -40.04 75.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.91 -1.118 . . . . 0.0 110.138 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 108.905 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -64.37 -48.54 75.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.662 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -84.59 -12.42 54.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.463 -0.773 . . . . 0.0 109.768 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' D' ' 8' ' ' LEU . 80.6 mt-30 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.327 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.391 2.516 . . . . 0.0 119.391 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -107.12 -0.12 23.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.51 -0.994 . . . . 0.0 108.836 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' A' ' 6' ' ' THR . 96.2 mt-10 -60.41 -55.16 36.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 0.0 110.02 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.639 ' CG ' HG21 ' B' ' 14' ' ' VAL . 82.5 mt -59.7 -35.79 75.2 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.849 -1.157 . . . . 0.0 110.003 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.32 -43.86 75.29 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -71.32 -32.01 68.08 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 110.128 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -57.9 -51.09 71.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.396 -0.815 . . . . 0.0 110.285 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 tpt -60.76 -40.25 91.77 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.014 -1.054 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.35 -40.07 95.14 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.337 -0.852 . . . . 0.0 110.642 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.556 ' O ' HG22 ' A' ' 14' ' ' VAL . 15.7 p -64.06 -43.56 95.12 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.776 -0.578 . . . . 0.0 109.755 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' B' ' 4' ' ' LEU . 95.0 mt -60.06 -40.04 88.08 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.549 -0.719 . . . . 0.0 112.667 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -81.57 -25.9 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 O-C-N 120.067 -1.646 . . . . 0.0 111.185 -178.509 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.99 -40.03 95.46 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.298 -1.501 . . . . 0.0 109.84 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.658 HG21 ' CG ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -85.13 -36.08 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.638 -0.664 . . . . 0.0 110.706 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.65 -49.95 75.76 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 110.315 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -76.19 -23.16 54.67 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.567 -0.708 . . . . 0.0 111.226 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.85 -62.72 1.5 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.571 -1.331 . . . . 0.0 111.564 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -64.12 -39.98 95.21 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.67 -1.269 . . . . 0.0 110.959 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 t -66.47 -14.63 62.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.299 -0.876 . . . . 0.0 111.343 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.23 13.42 55.27 Favored Glycine 0 N--CA 1.497 2.745 0 O-C-N 121.28 -0.888 . . . . 0.0 111.308 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -81.82 -61.22 1.98 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.369 -1.665 . . . . 0.0 108.086 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 13.5 pt-20 -126.86 4.17 6.62 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.01 -172.64 44.52 Favored Glycine 0 N--CA 1.486 2.012 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -98.5 177.3 5.38 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -58.83 99.89 0.06 Allowed 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.143 -0.973 . . . . 0.0 110.55 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 64.48 40.1 6.45 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 1.9 tpmt? -140.58 141.85 35.17 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.05 154.89 17.05 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 122.325 1.06 . . . . 0.0 110.662 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.431 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 73.4 m -126.11 160.01 31.3 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 178.196 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -45.06 -42.84 8.97 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.896 -1.128 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 64.9 tttm -69.98 -28.76 65.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 111.921 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HB2' ' H ' ' A' ' 29' ' ' SER . 25.3 mt-10 -76.0 -39.97 54.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.607 -1.308 . . . . 0.0 108.606 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.362 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 17.0 ptmt -69.98 -32.67 71.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.773 -1.204 . . . . 0.0 112.928 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.81 -35.51 62.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.44 -1.412 . . . . 0.0 109.142 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 36' ' ' LEU . 5.6 tt -67.51 -37.97 83.58 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.635 -0.666 . . . . 0.0 111.41 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -82.09 -39.86 22.76 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.678 -1.264 . . . . 0.0 112.726 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 34' ' ' LYS . 4.4 pt20 -69.44 -39.98 77.48 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.759 -1.213 . . . . 0.0 110.282 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.4 m -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.356 0.598 . . . . 0.0 110.941 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.612 ' HB3' HD12 ' B' ' 4' ' ' LEU . 57.9 mm-40 -89.04 -50.02 6.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.36 -0.838 . . . . 0.0 111.28 -177.521 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.41 71.55 1.55 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.862 -1.149 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.0 m -81.61 139.32 35.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 83.6 -7.39 1.11 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.753 -0.592 . . . . 0.0 111.313 178.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -105.42 -77.9 0.58 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 mm? -96.04 120.52 36.46 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.67 91.36 3.56 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 122.37 1.081 . . . . 0.0 110.507 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.531 ' HB ' HG22 ' A' ' 54' ' ' VAL . 3.5 m -81.7 -22.46 10.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.988 -178.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.432 ' OE1' ' OE1' ' A' ' 38' ' ' GLN . 26.9 mt-30 -69.36 -60.1 2.56 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.993 -1.067 . . . . 0.0 113.026 -176.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.22 -30.01 64.5 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.937 -1.102 . . . . 0.0 111.814 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -94.91 94.19 7.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.71 -1.244 . . . . 0.0 109.728 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.425 -0.797 . . . . 0.0 110.146 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 32.6 p-10 -59.96 -37.44 79.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 0.0 109.017 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.85 -37.74 87.0 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.777 -0.577 . . . . 0.0 111.363 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' A' ' 47' ' ' VAL . 61.8 t -70.04 -56.49 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.957 -1.089 . . . . 0.0 111.829 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 58.7 t0 -64.29 -39.96 94.99 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.591 -1.318 . . . . 0.0 110.876 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -69.91 -40.03 75.83 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.313 -0.867 . . . . 0.0 111.516 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -80.11 -52.48 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.141 -0.974 . . . . 0.0 110.889 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 tpt -60.02 -44.87 94.31 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.492 -0.755 . . . . 0.0 110.825 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -69.95 -37.11 75.74 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.973 -1.079 . . . . 0.0 110.097 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -88.59 -17.52 29.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.026 -1.046 . . . . 0.0 109.823 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 57' ' ' ILE . 60.6 tp -83.2 -17.73 41.79 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.581 ' OD2' ' N ' ' A' ' 68' ' ' GLU . 10.5 t0 -92.43 45.55 1.21 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 103.123 -2.917 . . . . 0.0 103.123 173.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.0 tt0 -39.56 -19.48 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 111.455 -2.611 . . . . 0.0 110.649 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 62' ' ' ASP . 81.8 m-20 -87.72 -0.06 56.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.627 -1.296 . . . . 0.0 108.323 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.07 34.9 91.15 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.838 178.137 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 4.3 p-10 -102.22 -14.02 17.17 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.9 -1.353 . . . . 0.0 110.54 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -7.45 69.26 Favored Glycine 0 N--CA 1.501 3.01 0 O-C-N 120.665 -1.272 . . . . 0.0 110.874 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 99.6 mt-10 -118.43 142.19 47.8 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.8 t -102.64 134.0 44.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 110.711 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 92.0 m-20 -82.49 159.83 22.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 54.1 p90 -59.23 -39.57 83.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.0 109.682 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -63.17 -39.94 96.1 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.002 -1.061 . . . . 0.0 110.295 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.94 -40.1 75.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.622 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 78' ' ' VAL . 41.5 t80 -69.24 -40.06 78.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.368 -0.832 . . . . 0.0 112.303 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.95 -30.15 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.543 -0.723 . . . . 0.0 111.447 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -73.3 -58.09 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.015 -1.053 . . . . 0.0 111.768 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.03 88.45 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.803 -1.185 . . . . 0.0 112.497 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 74' ' ' PHE . 19.0 m -68.09 -37.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.514 -1.367 . . . . 0.0 111.317 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.532 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -73.22 -23.94 60.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.136 -0.978 . . . . 0.0 110.618 -178.088 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.25 -51.17 26.04 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.348 -1.47 . . . . 0.0 109.732 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -64.19 -41.29 97.15 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.322 -0.862 . . . . 0.0 111.368 -178.627 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 83' ' ' VAL . 4.0 t -61.14 -49.36 77.58 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.991 -1.068 . . . . 0.0 110.373 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.526 HG11 ' CD1' ' B' ' 71' ' ' PHE . 96.0 t -64.29 -37.9 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.018 -1.051 . . . . 0.0 109.907 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.14 66.51 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.716 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.7 m -69.97 -40.07 75.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.785 -1.197 . . . . 0.0 110.087 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.591 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -68.96 -36.45 77.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.083 -1.011 . . . . 0.0 110.078 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.591 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 27.5 t-20 -60.04 -49.64 76.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.018 -1.051 . . . . 0.0 110.472 -178.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 55.0 m-85 -62.73 -50.77 69.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.861 -1.15 . . . . 0.0 110.323 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 96.6 m-85 -158.16 129.98 6.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.336 -0.853 . . . . 0.0 109.319 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -67.63 -156.6 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.94 -33.23 71.63 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.094 -1.003 . . . . 0.0 108.619 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -158.51 -20.03 0.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.602 -0.686 . . . . 0.0 110.218 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.039 -1.038 . . . . 0.0 109.124 -179.094 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.915 0 N-CA-C 119.422 2.529 . . . . 0.0 119.422 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -107.03 -0.23 23.13 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.549 -0.971 . . . . 0.0 108.792 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.8 mt-10 -60.49 -54.96 39.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.341 -0.85 . . . . 0.0 110.052 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.658 ' CG ' HG21 ' A' ' 14' ' ' VAL . 82.4 mt -59.96 -36.11 76.41 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.869 -1.144 . . . . 0.0 109.925 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.76 -44.22 73.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.2 p -71.22 -30.59 66.54 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.427 -0.796 . . . . 0.0 110.053 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.77 -50.07 75.24 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.843 . . . . 0.0 110.068 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.68 -40.45 92.19 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.299 -0.875 . . . . 0.0 110.208 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.3 -39.98 95.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.456 -0.777 . . . . 0.0 110.622 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.553 ' O ' HG22 ' B' ' 14' ' ' VAL . 16.2 p -64.13 -43.53 94.97 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' A' ' 4' ' ' LEU . 95.4 mt -60.03 -40.03 87.93 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.563 -0.711 . . . . 0.0 112.709 -178.535 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.466 ' N ' HD13 ' B' ' 12' ' ' ILE . 0.1 OUTLIER -81.04 -28.07 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 O-C-N 120.104 -1.623 . . . . 0.0 110.988 -178.432 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.17 -40.0 94.55 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.527 -1.358 . . . . 0.0 109.819 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.639 HG21 ' CG ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.3 -36.29 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.583 -0.698 . . . . 0.0 110.689 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.51 -49.99 75.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.32 -0.862 . . . . 0.0 110.308 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -76.19 -23.41 54.66 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.61 -0.681 . . . . 0.0 111.108 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.59 -62.7 1.49 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.635 -1.291 . . . . 0.0 111.627 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -64.14 -40.0 95.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.642 -1.286 . . . . 0.0 111.039 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -66.41 -14.74 62.59 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.328 -0.858 . . . . 0.0 111.446 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.16 13.53 55.48 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.273 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -81.92 -61.41 1.92 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.441 -1.623 . . . . 0.0 108.04 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.476 ' OE2' ' NZ ' ' B' ' 31' ' ' LYS . 13.2 pt-20 -126.58 4.07 6.82 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.0 -172.84 44.82 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -98.42 176.87 5.53 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.49 100.02 0.06 Allowed 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.134 -0.979 . . . . 0.0 110.6 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 64.49 40.0 6.48 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.475 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 1.9 tpmt? -140.5 142.07 35.29 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.27 154.65 17.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.305 1.05 . . . . 0.0 110.589 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.431 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 74.6 m -125.51 160.67 28.94 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -45.74 -43.01 12.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.476 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 65.0 tttm -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 111.905 -178.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.431 ' HB2' ' H ' ' B' ' 29' ' ' SER . 25.3 mt-10 -76.09 -39.78 54.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.524 -1.36 . . . . 0.0 108.554 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.94 -50.04 75.3 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.403 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.482 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -70.03 -32.74 71.03 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.865 -1.147 . . . . 0.0 112.901 -176.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.55 -35.77 63.1 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.515 -1.366 . . . . 0.0 109.161 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.754 HD23 ' O ' ' B' ' 36' ' ' LEU . 5.5 tt -67.44 -37.8 83.56 Favored 'General case' 0 C--N 1.29 -2.022 0 O-C-N 121.685 -0.635 . . . . 0.0 111.493 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.33 -39.99 22.05 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.61 -1.306 . . . . 0.0 112.623 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' B' ' 34' ' ' LYS . 4.5 pt20 -69.2 -39.95 78.32 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.686 -1.259 . . . . 0.0 110.306 -178.288 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.1 m -76.12 -45.65 32.7 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.434 0.635 . . . . 0.0 110.889 -177.604 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.619 ' HB3' HD12 ' A' ' 4' ' ' LEU . 58.6 mm-40 -88.98 -50.05 6.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.398 -0.814 . . . . 0.0 111.304 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -100.34 71.59 1.57 Allowed 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.882 -1.136 . . . . 0.0 109.501 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' B' ' 43' ' ' SER . 32.5 m -81.55 139.34 35.15 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 83.51 -7.45 1.13 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.741 -0.599 . . . . 0.0 111.35 178.945 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.3 -77.85 0.58 Allowed 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -96.25 120.78 37.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.8 91.22 3.52 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.408 1.099 . . . . 0.0 110.467 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.515 ' HB ' HG22 ' B' ' 54' ' ' VAL . 3.4 m -81.49 -22.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.071 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' B' ' 38' ' ' GLN . 27.0 mt-30 -69.26 -60.09 2.57 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 113.041 -176.636 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.16 -29.95 64.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.97 -1.081 . . . . 0.0 111.886 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.4 ' O ' HG23 ' B' ' 54' ' ' VAL . 96.0 m-20 -94.94 94.18 7.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.647 -1.283 . . . . 0.0 109.641 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.473 -0.767 . . . . 0.0 110.157 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 32.5 p-10 -60.03 -37.36 79.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.002 . . . . 0.0 108.983 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.86 -34.82 78.64 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.734 -0.603 . . . . 0.0 111.818 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.515 HG22 ' HB ' ' B' ' 47' ' ' VAL . 58.7 t -72.34 -56.41 10.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.907 -1.121 . . . . 0.0 111.7 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 59.2 t0 -64.1 -40.03 95.33 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 120.564 -1.335 . . . . 0.0 110.777 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -70.08 -39.9 75.33 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 111.616 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.8 mt -80.02 -52.56 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.018 . . . . 0.0 110.708 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -60.04 -44.64 94.52 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.539 -0.726 . . . . 0.0 110.855 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -70.11 -36.93 75.19 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.944 -1.098 . . . . 0.0 110.037 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.69 -17.64 29.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.976 -1.078 . . . . 0.0 109.801 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' B' ' 57' ' ' ILE . 61.0 tp -83.16 -17.69 42.02 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 10.3 t0 -92.49 45.37 1.19 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 173.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.1 tt0 -39.43 -19.44 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 111.495 -2.593 . . . . 0.0 110.665 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 62' ' ' ASP . 81.7 m-20 -87.69 -0.02 56.32 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.598 -1.314 . . . . 0.0 108.347 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.66 33.35 87.0 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.014 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.4 p-10 -101.26 -13.79 17.93 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.828 -1.395 . . . . 0.0 110.542 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.519 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.17 -7.2 68.16 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.676 -1.265 . . . . 0.0 110.835 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.586 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 99.9 mt-10 -118.5 142.15 47.87 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -101.84 134.32 42.7 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.149 0 O-C-N 120.916 -1.115 . . . . 0.0 110.833 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.475 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 92.3 m-20 -82.73 159.78 22.48 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.0 p90 -59.23 -39.85 84.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 0.0 109.646 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -62.84 -39.94 95.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.04 -1.037 . . . . 0.0 110.303 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.761 -1.212 . . . . 0.0 110.658 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 78' ' ' VAL . 41.0 t80 -69.36 -39.97 77.76 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.297 -0.877 . . . . 0.0 112.364 -178.269 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.0 -30.05 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 111.515 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -73.38 -57.96 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 111.826 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.71 -40.02 88.27 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.834 -1.166 . . . . 0.0 112.435 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 74' ' ' PHE . 18.4 m -68.33 -37.76 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.491 -1.381 . . . . 0.0 111.269 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.529 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.36 -23.68 60.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.185 -0.947 . . . . 0.0 110.696 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -55.66 8.71 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.215 -1.553 . . . . 0.0 108.761 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -59.96 -42.45 94.12 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.67 -0.644 . . . . 0.0 111.562 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.491 HG23 ' N ' ' B' ' 83' ' ' VAL . 4.0 t -60.76 -49.63 76.73 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.845 -1.159 . . . . 0.0 110.516 -178.376 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.491 ' N ' HG23 ' B' ' 82' ' ' THR . 93.9 t -64.06 -37.62 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.012 -1.055 . . . . 0.0 109.854 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.14 -28.1 66.15 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.755 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.04 -39.97 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.771 -1.206 . . . . 0.0 110.078 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' B' ' 87' ' ' ASN . 0.6 OUTLIER -68.9 -36.45 78.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.107 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.586 ' N ' ' ND2' ' B' ' 86' ' ' ASN . 27.2 t-20 -59.99 -49.63 76.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.53 -179.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.498 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 54.7 m-85 -62.8 -50.7 69.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.905 -1.122 . . . . 0.0 110.263 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 96.4 m-85 -158.26 130.02 6.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.385 -0.822 . . . . 0.0 109.312 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -67.73 -156.53 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.99 -33.17 71.6 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.057 -1.027 . . . . 0.0 108.635 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -158.6 -20.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.479 -0.763 . . . . 0.0 110.133 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 117.946 -1.025 . . . . 0.0 109.087 -179.115 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.56 0.695 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -60.19 -41.49 93.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 110.162 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.34 94.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.104 -0.998 . . . . 0.0 109.451 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.13 -40.03 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.906 ' HE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -59.54 -31.43 69.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.686 -0.634 . . . . 0.0 110.062 -179.092 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -59.1 -37.53 77.37 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.039 -1.038 . . . . 0.0 108.305 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -59.93 -48.83 80.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.494 -0.754 . . . . 0.0 109.173 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' C' ' 12' ' ' GLN . 26.7 tp -60.43 -49.87 75.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.121 -0.987 . . . . 0.0 110.832 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -66.76 -40.22 88.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.819 -1.176 . . . . 0.0 109.091 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 91.4 p -72.77 -50.42 24.54 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.151 -0.968 . . . . 0.0 108.831 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' C' ' 12' ' ' GLN . 0.1 OUTLIER -66.34 -44.41 83.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.375 -0.828 . . . . 0.0 108.976 179.45 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' C' ' 8' ' ' LEU . 57.0 tt0 . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.337 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.03 -41.46 92.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.378 -0.826 . . . . 0.0 110.131 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.42 94.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.974 -1.078 . . . . 0.0 109.384 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.15 -39.81 86.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 5' ' ' TRP . . . . . 0.903 ' HE1' HD21 ' B' ' 77' ' ' LEU . 0.0 OUTLIER -59.63 -31.44 69.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.601 -0.687 . . . . 0.0 110.042 -179.169 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -59.06 -37.39 76.94 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.957 -1.089 . . . . 0.0 108.375 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -59.94 -48.93 79.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.575 -0.703 . . . . 0.0 109.276 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' D' ' 12' ' ' GLN . 25.8 tp -60.19 -49.99 75.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 0.0 110.767 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.9 -40.06 87.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.867 -1.146 . . . . 0.0 109.075 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p -73.02 -50.29 23.91 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.17 -0.956 . . . . 0.0 108.725 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' D' ' 12' ' ' GLN . 0.1 OUTLIER -66.18 -44.66 83.37 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.41 -0.806 . . . . 0.0 108.922 179.406 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' D' ' 8' ' ' LEU . 57.1 tt0 . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.279 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' ' OE2' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.865 0 N-CA-C 119.6 2.6 . . . . 0.0 119.6 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -108.0 1.0 22.18 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.403 -1.057 . . . . 0.0 109.252 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 6' ' ' THR . 43.9 mt-10 -66.72 -53.52 32.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 110.702 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.503 HD13 HD23 ' B' ' 11' ' ' LEU . 15.2 tp -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.342 -0.849 . . . . 0.0 110.341 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -54.24 -48.63 70.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.046 -1.034 . . . . 0.0 109.18 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 21.7 p -64.6 -30.62 71.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.765 -0.585 . . . . 0.0 110.684 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -59.09 -49.9 76.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.355 -0.84 . . . . 0.0 110.87 -177.409 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.707 ' SD ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.99 -40.08 87.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.34 -1.475 . . . . 0.0 109.085 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.43 -39.93 92.61 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.667 0.746 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 7.8 p -67.76 -45.52 74.68 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.672 -0.643 . . . . 0.0 111.248 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 HD13 ' B' ' 4' ' ' LEU . 65.7 mt -59.99 -44.11 94.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 110.754 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.707 HD11 ' SD ' ' A' ' 8' ' ' MET . 51.2 mt -72.9 -30.95 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 111.64 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 23.5 t-20 -60.99 -39.82 91.12 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.253 -1.529 . . . . 0.0 108.854 179.68 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -35.45 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -59.96 -48.1 83.1 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.589 -1.319 . . . . 0.0 110.548 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -78.82 -22.88 45.53 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.646 -0.659 . . . . 0.0 112.043 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.38 -57.98 3.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.462 -1.399 . . . . 0.0 111.787 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.514 ' CE1' HD11 ' A' ' 28' ' ' LEU . 1.5 p-80 -77.33 -28.57 53.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.161 -1.587 . . . . 0.0 111.401 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.555 ' OG ' HD11 ' A' ' 28' ' ' LEU . 68.2 m -67.12 -3.84 8.57 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.699 -1.251 . . . . 0.0 110.191 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.15 16.52 42.22 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -92.91 -79.22 0.4 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.293 -1.122 . . . . 0.0 109.427 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -107.34 -16.75 14.31 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.559 -0.713 . . . . 0.0 111.389 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -82.28 -159.99 26.5 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -88.92 169.86 11.2 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -53.96 -37.92 64.44 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.712 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -129.99 30.02 4.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.574 -1.329 . . . . 0.0 112.644 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -137.24 143.73 42.41 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.138 -1.601 . . . . 0.0 108.976 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' OG ' ' A' ' 19' ' ' SER . 2.9 mm? -97.79 156.86 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.115 0.959 . . . . 0.0 111.214 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -131.04 162.47 29.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HA ' HD21 ' A' ' 33' ' ' LEU . 75.5 tttt -46.38 -39.98 11.25 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.06 -1.025 . . . . 0.0 111.775 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.34 -25.07 59.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.52 -1.363 . . . . 0.0 112.046 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 89.4 mt-10 -80.61 -34.1 35.35 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.356 -1.465 . . . . 0.0 111.499 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 30' ' ' LYS . 3.0 pp -75.02 -35.26 61.97 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.796 -1.19 . . . . 0.0 109.743 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.29 -40.92 92.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.047 -1.033 . . . . 0.0 111.267 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.65 -26.45 41.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.705 -1.247 . . . . 0.0 110.948 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 62.2 tp -63.68 -38.92 92.95 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.993 -1.067 . . . . 0.0 111.231 -178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.33 -33.94 23.79 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -0.987 . . . . 0.0 112.901 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.518 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 2.6 pp0? -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.533 -1.354 . . . . 0.0 109.815 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.518 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 8.4 m -80.28 -50.01 10.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 111.678 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' OE2' ' HA2' ' B' ' 1' ' ' GLY . 71.0 mm-40 -88.23 -56.62 3.25 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.267 -0.896 . . . . 0.0 111.977 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.64 73.55 1.62 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.147 -0.971 . . . . 0.0 109.763 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -82.64 -19.99 37.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.633 -0.667 . . . . 0.0 111.928 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.5 m -107.24 3.35 25.44 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.889 -1.132 . . . . 0.0 111.437 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.27 -85.74 0.61 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.076 -1.015 . . . . 0.0 109.103 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 81' ' ' LEU . 3.5 mm? -63.9 135.05 56.23 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 20.9 p-10 -118.41 148.96 42.01 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 4.2 m -151.2 -36.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.662 -1.606 . . . . 0.0 106.662 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 88.0 mt-30 -83.71 -31.4 26.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.791 -0.568 . . . . 0.0 110.365 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -60.05 -41.79 93.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.204 -0.935 . . . . 0.0 110.861 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' C' ' 12' ' ' GLN . 97.6 m-20 -129.13 111.9 13.41 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 110.23 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.07 -39.93 87.77 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.27 87.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.433 -0.792 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 54.6 t -70.08 -56.99 9.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.979 . . . . 0.0 111.96 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 48.4 t0 -62.16 -39.94 94.33 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 120.513 -1.367 . . . . 0.0 110.834 -177.629 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -69.58 -39.93 77.04 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.303 -0.873 . . . . 0.0 111.385 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.8 mt -80.86 -53.73 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.206 -0.933 . . . . 0.0 110.438 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.9 tpt -60.12 -46.95 87.92 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.657 -0.652 . . . . 0.0 111.77 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.92 -36.68 78.27 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.727 -1.233 . . . . 0.0 109.783 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -87.58 -16.99 33.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.046 -1.034 . . . . 0.0 109.451 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 63' ' ' GLU . 66.2 tp -86.69 -21.21 26.8 Favored 'General case' 0 N--CA 1.506 2.37 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 65' ' ' GLY . 35.4 t0 -89.78 48.61 1.61 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.9 pt-20 -40.7 -16.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 111.02 -2.809 . . . . 0.0 110.638 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 62' ' ' ASP . 23.8 m120 -87.47 4.9 41.55 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 54.52 38.62 63.58 Favored Glycine 0 N--CA 1.494 2.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.777 178.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.2 p30 -104.2 -10.49 17.87 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.909 -1.348 . . . . 0.0 110.679 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.05 -6.63 66.24 Favored Glycine 0 N--CA 1.502 3.06 0 O-C-N 120.649 -1.282 . . . . 0.0 110.861 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.5 mt-10 -120.31 143.4 48.38 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -103.04 132.71 48.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.115 -0.991 . . . . 0.0 111.758 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.05 155.2 27.68 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -59.98 -39.96 87.49 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.861 -1.149 . . . . 0.0 109.57 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.4 -39.73 88.43 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.207 -0.933 . . . . 0.0 111.155 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.44 -40.05 81.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.482 -1.386 . . . . 0.0 110.548 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.82 -49.89 68.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.398 -0.814 . . . . 0.0 111.913 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -60.1 -38.03 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.147 -0.97 . . . . 0.0 112.046 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.19 -60.03 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.876 -1.14 . . . . 0.0 111.889 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.906 HD21 ' HE1' ' C' ' 5' ' ' TRP . 1.0 OUTLIER -69.42 -44.7 70.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.153 -0.967 . . . . 0.0 111.565 -176.853 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.78 -39.97 86.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.066 -1.021 . . . . 0.0 111.056 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.42 -23.3 62.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.95 -26.99 64.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.748 . . . . 0.0 110.402 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.45 ' HB2' HD11 ' A' ' 45' ' ' LEU . 27.5 mt -86.47 -40.6 15.15 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 -178.773 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -45.15 90.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.487 -1.383 . . . . 0.0 109.104 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 84' ' ' ALA . 9.8 p -70.27 -43.25 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.481 -0.762 . . . . 0.0 110.252 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.99 -32.92 73.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.413 -0.805 . . . . 0.0 110.407 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.372 -0.83 . . . . 0.0 109.236 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.06 -39.41 85.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.5 -0.75 . . . . 0.0 109.443 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.03 -40.24 88.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.677 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -81.34 -9.77 59.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.151 -0.968 . . . . 0.0 109.686 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 58.39 102.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.544 0.688 . . . . 0.0 109.46 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -57.02 -22.31 37.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.486 -0.759 . . . . 0.0 109.377 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -60.02 -25.6 65.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.0 109.358 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -80.06 -4.0 50.93 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.305 -1.349 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.076 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 1' ' ' GLY . . . . . 0.457 ' HA2' ' OE2' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.966 0 N-CA-C 119.534 2.574 . . . . 0.0 119.534 . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -107.6 0.75 22.78 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.395 -1.062 . . . . 0.0 109.153 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' B' ' 6' ' ' THR . 43.6 mt-10 -66.42 -53.71 32.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.0 110.69 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 11' ' ' LEU . 16.2 tp -60.05 -39.97 87.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.244 -0.91 . . . . 0.0 110.513 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.42 -48.19 71.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.082 . . . . 0.0 109.069 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 20.9 p -65.13 -29.5 70.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.68 -0.638 . . . . 0.0 110.517 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.472 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.99 -49.51 77.38 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.742 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.675 ' SD ' HD11 ' B' ' 12' ' ' ILE . 0.0 OUTLIER -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.578 -1.326 . . . . 0.0 108.981 -179.695 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.45 -39.98 92.82 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.718 0.77 . . . . 0.0 110.235 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 7.8 p -67.63 -45.65 74.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.646 -0.659 . . . . 0.0 111.265 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.503 HD23 HD13 ' A' ' 4' ' ' LEU . 61.4 mt -59.83 -44.34 94.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.857 . . . . 0.0 110.936 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.675 HD11 ' SD ' ' B' ' 8' ' ' MET . 51.1 mt -71.8 -32.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.202 -0.936 . . . . 0.0 111.418 -178.012 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 23.6 t-20 -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 120.57 -1.331 . . . . 0.0 108.551 -179.243 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -79.91 -35.35 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.367 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -60.1 -47.88 84.06 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.569 -1.332 . . . . 0.0 110.483 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -79.05 -22.78 44.87 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.67 -0.644 . . . . 0.0 111.929 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.46 -58.1 3.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.459 -1.401 . . . . 0.0 111.723 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.504 ' CE1' HD11 ' B' ' 28' ' ' LEU . 1.5 p-80 -77.12 -28.85 54.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.142 -1.599 . . . . 0.0 111.456 -178.33 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.577 ' OG ' HD11 ' B' ' 28' ' ' LEU . 69.8 m -66.98 -3.63 7.61 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.749 -1.219 . . . . 0.0 110.184 -178.746 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.2 16.36 42.21 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -92.78 -79.28 0.4 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.321 -1.105 . . . . 0.0 109.49 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -107.35 -16.53 14.36 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.512 -0.743 . . . . 0.0 111.291 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.588 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -82.43 -159.94 26.76 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -88.67 169.96 11.23 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -54.2 -37.85 65.0 Favored 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.734 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -130.12 30.18 4.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.546 -1.346 . . . . 0.0 112.608 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -137.06 143.87 42.86 Favored 'General case' 0 N--CA 1.51 2.532 0 O-C-N 120.272 -1.518 . . . . 0.0 108.954 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.577 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.0 mm? -98.02 156.66 16.53 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.074 0.94 . . . . 0.0 111.218 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -130.85 162.12 30.31 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' LYS . . . . . 0.416 ' HA ' HD21 ' B' ' 33' ' ' LEU . 76.7 tttt -45.87 -39.99 9.35 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.076 -1.015 . . . . 0.0 111.767 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.78 -24.72 58.71 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.451 -1.406 . . . . 0.0 112.018 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.588 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 90.7 mt-10 -80.66 -33.98 35.16 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.384 -1.448 . . . . 0.0 111.509 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' B' ' 30' ' ' LYS . 3.0 pp -75.03 -35.53 61.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.819 -1.176 . . . . 0.0 109.73 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.13 -40.81 91.06 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.062 -1.024 . . . . 0.0 111.305 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 54.1 t0 -79.8 -26.24 40.62 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.766 -1.209 . . . . 0.0 110.863 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 62.3 tp -63.94 -38.78 92.34 Favored 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.042 -1.037 . . . . 0.0 111.313 -178.701 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -84.26 -34.48 23.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.012 -1.055 . . . . 0.0 112.8 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.521 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 2.6 pp0? -69.39 -29.88 67.73 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.494 -1.379 . . . . 0.0 109.766 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.521 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 8.9 m -80.31 -50.13 10.6 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.663 -0.648 . . . . 0.0 111.684 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.452 ' OE2' ' O ' ' A' ' 1' ' ' GLY . 70.5 mm-40 -88.23 -56.75 3.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 111.936 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -100.41 73.74 1.68 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.139 -0.975 . . . . 0.0 109.797 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -82.86 -19.82 36.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.637 -0.664 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -107.52 3.81 25.4 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.951 -1.093 . . . . 0.0 111.344 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.43 -85.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.111 -0.993 . . . . 0.0 109.056 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' B' ' 81' ' ' LEU . 3.4 mm? -63.79 135.12 56.38 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 20.9 p-10 -118.57 148.91 42.18 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 4.1 m -151.27 -36.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 88.9 mt-30 -83.4 -31.45 26.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.643 -0.661 . . . . 0.0 110.297 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -60.06 -41.65 92.83 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.251 -0.905 . . . . 0.0 110.774 -177.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -129.49 111.55 12.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.392 -0.818 . . . . 0.0 110.21 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -28.86 69.86 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -59.99 -40.05 87.83 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.97 81.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.595 -0.691 . . . . 0.0 111.314 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 48.2 t -71.99 -56.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 111.814 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 48.9 t0 -62.2 -40.04 94.75 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.567 -1.333 . . . . 0.0 110.709 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.58 -39.85 77.06 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.359 -0.838 . . . . 0.0 111.456 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' B' ' 61' ' ' LEU . 83.1 mt -80.83 -53.96 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.174 -0.954 . . . . 0.0 110.452 -177.543 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.0 tpt -59.98 -46.47 89.34 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.666 -0.646 . . . . 0.0 111.777 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.37 -36.46 76.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.648 -1.282 . . . . 0.0 109.848 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -87.66 -17.13 32.53 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' B' ' 57' ' ' ILE . 65.9 tp -86.49 -21.61 26.9 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' B' ' 65' ' ' GLY . 35.3 t0 -89.51 48.83 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.529 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.9 pt-20 -40.91 -16.78 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 110.912 -2.858 . . . . 0.0 110.636 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 62' ' ' ASP . 24.1 m120 -87.38 4.88 41.36 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 55.14 37.11 62.95 Favored Glycine 0 N--CA 1.494 2.554 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.854 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -103.06 -10.56 18.8 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.872 -1.369 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 81.67 -6.06 67.0 Favored Glycine 0 N--CA 1.499 2.839 0 O-C-N 120.68 -1.262 . . . . 0.0 110.682 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.59 142.82 49.03 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.49 132.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 O-C-N 120.981 -1.074 . . . . 0.0 112.122 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -80.08 155.16 27.66 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -59.9 -40.17 87.89 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.782 -1.199 . . . . 0.0 109.477 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.42 -39.69 88.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.262 -0.899 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.53 -39.91 80.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.477 -1.389 . . . . 0.0 110.65 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -64.74 -50.03 68.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.401 -0.812 . . . . 0.0 111.728 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -59.95 -38.27 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.116 -0.99 . . . . 0.0 112.124 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.06 -60.17 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.853 -1.154 . . . . 0.0 111.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.903 HD21 ' HE1' ' D' ' 5' ' ' TRP . 1.1 tm? -69.2 -44.78 71.43 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.077 -1.015 . . . . 0.0 111.473 -176.64 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t -65.62 -39.97 86.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.195 -0.941 . . . . 0.0 111.33 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.31 -23.36 62.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -21.28 61.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.516 -0.74 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.453 ' HB2' HD11 ' B' ' 45' ' ' LEU . 21.6 mt -91.39 -39.99 11.69 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.746 -1.221 . . . . 0.0 111.035 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 82' ' ' THR . 0.1 OUTLIER -64.1 -44.66 91.62 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 118.15 -1.42 . . . . 0.0 109.016 -179.022 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.507 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.8 p -70.65 -43.65 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.412 -0.805 . . . . 0.0 110.138 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.507 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.62 -33.05 73.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 110.307 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.4 t -61.85 -39.85 93.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.226 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.87 -39.59 85.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.453 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.01 -40.07 87.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 109.66 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -81.6 -9.65 59.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 109.724 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 58.42 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.53 0.681 . . . . 0.0 109.396 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -57.18 -22.15 38.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.536 -0.727 . . . . 0.0 109.393 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.99 -25.65 65.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.389 -0.819 . . . . 0.0 109.358 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.01 -4.2 51.61 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--N 1.303 -1.426 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.116 -179.734 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 39.8 tttm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -60.05 -37.52 80.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.612 -0.68 . . . . 0.0 109.788 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.33 -40.52 82.33 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 109.673 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.29 -40.04 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.014 . . . . 0.0 109.471 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -41.59 92.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 0.0 109.624 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -59.9 -40.0 87.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 110.495 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -60.01 -49.89 75.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.0 110.161 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 57' ' ' ILE . 38.6 tp -60.06 -50.04 75.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 0.0 110.999 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 42.6 mt -68.84 -39.93 79.7 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.149 -0.969 . . . . 0.0 109.558 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 36.8 t -63.11 -40.67 98.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.031 -1.043 . . . . 0.0 110.031 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -64.98 -40.24 94.68 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.032 -1.042 . . . . 0.0 109.68 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.43 ' NE2' ' C ' ' C' ' 12' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 120.978 -1.076 . . . . 0.0 109.478 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 39.9 tttm . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.07 -37.53 80.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.645 -0.66 . . . . 0.0 109.824 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.34 82.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.167 -0.958 . . . . 0.0 109.575 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.33 -39.99 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.148 -0.97 . . . . 0.0 109.481 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -60.12 -41.34 92.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.894 . . . . 0.0 109.561 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -59.99 -40.05 87.87 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.192 -0.943 . . . . 0.0 110.386 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.027 -1.045 . . . . 0.0 110.017 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.481 HD13 HD11 ' B' ' 57' ' ' ILE . 42.2 tp -60.08 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 0.0 111.0 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.73 -40.02 80.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.0 109.508 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 38.3 t -63.12 -40.52 97.85 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 0.0 110.119 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.08 -40.11 94.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.956 -1.09 . . . . 0.0 109.654 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.439 ' NE2' ' C ' ' D' ' 12' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.001 -1.062 . . . . 0.0 109.456 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.89 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -107.33 -1.29 21.79 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.533 -0.98 . . . . 0.0 108.686 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.604 ' OE1' HG22 ' B' ' 10' ' ' THR . 71.1 mm-40 -68.84 -53.15 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.495 -0.753 . . . . 0.0 109.941 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' CD1' HD23 ' B' ' 11' ' ' LEU . 15.3 tp -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-O 121.524 0.678 . . . . 0.0 110.129 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -56.56 -48.43 77.34 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.376 1.084 . . . . 0.0 108.897 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.469 HG22 HG21 ' B' ' 10' ' ' THR . 0.3 OUTLIER -65.17 -26.01 67.98 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -59.32 -48.61 80.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.026 -1.046 . . . . 0.0 109.779 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttt -60.01 -40.01 87.81 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.253 -0.905 . . . . 0.0 110.09 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.99 -39.97 94.04 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.335 -0.853 . . . . 0.0 110.501 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.523 HG22 ' OE1' ' B' ' 3' ' ' GLU . 17.3 p -71.61 -45.58 61.71 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.402 0.62 . . . . 0.0 112.152 -177.214 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.531 HD23 ' CD1' ' B' ' 4' ' ' LEU . 54.3 mt -59.96 -42.2 93.59 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.535 -0.728 . . . . 0.0 111.806 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -80.28 -27.27 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.082 -1.011 . . . . 0.0 111.479 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.27 85.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.289 -1.507 . . . . 0.0 108.351 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 14' ' ' VAL . 17.3 m -78.68 -35.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.324 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 17.8 m-30 -60.04 -51.04 71.32 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.942 -1.099 . . . . 0.0 110.964 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -79.19 -26.5 42.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.477 -0.765 . . . . 0.0 111.921 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.04 2.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.388 -1.445 . . . . 0.0 110.539 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.1 m80 -66.54 -38.27 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.849 -1.157 . . . . 0.0 110.472 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 t -64.9 -12.57 50.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.097 -1.002 . . . . 0.0 111.768 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.71 14.58 60.36 Favored Glycine 0 N--CA 1.498 2.818 0 O-C-N 121.267 -0.895 . . . . 0.0 111.005 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -89.03 -65.68 1.0 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.385 . . . . 0.0 109.229 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -121.4 -5.14 9.35 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.295 -0.878 . . . . 0.0 110.402 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -78.19 -171.16 37.7 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' LYS . 95.7 m-20 -96.46 175.63 6.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.554 -0.968 . . . . 0.0 108.928 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' ASP . 63.3 mttp -39.75 103.72 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 122.048 0.928 . . . . 0.0 110.414 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 40.22 65.79 0.7 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.921 0.867 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.3 144.85 30.98 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 28' ' ' LEU . 4.2 mm? -96.38 149.34 21.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.789 -1.194 . . . . 0.0 110.284 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 56.4 m -124.5 160.77 27.54 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -48.83 -44.54 39.52 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.557 -1.34 . . . . 0.0 110.657 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -68.14 -28.97 67.77 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.546 -1.346 . . . . 0.0 111.594 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.564 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 85.1 mt-10 -78.36 -36.25 46.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.674 -1.266 . . . . 0.0 108.725 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' HE2' ' A' ' 34' ' ' LYS . 64.4 tp -60.0 -49.99 75.5 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.712 -0.618 . . . . 0.0 112.232 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HE2' HD23 ' A' ' 33' ' ' LEU . 18.0 mmtt -67.63 -41.76 83.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.82 -1.175 . . . . 0.0 112.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.06 -30.01 69.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 108.723 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 74' ' ' PHE . 48.0 tp -60.02 -39.33 85.45 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 41' ' ' LEU . 57.6 mt -83.04 -41.6 18.46 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 120.231 -1.543 . . . . 0.0 112.12 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.06 -16.21 53.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.727 -1.233 . . . . 0.0 111.348 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.2 m -90.36 -28.48 18.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.416 -1.427 . . . . 0.0 109.369 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mp0 -109.86 -39.46 5.07 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mt -102.22 136.18 42.52 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.284 1.04 . . . . 0.0 108.447 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.0 m -50.52 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.357 -0.84 . . . . 0.0 111.198 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 m -161.38 42.25 0.15 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 0.0 110.684 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.98 -40.0 48.39 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -94.85 128.73 41.81 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 175.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -98.26 146.69 25.39 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.131 -0.98 . . . . 0.0 109.218 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -151.0 -33.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -79.99 -68.53 0.66 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.361 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.01 -38.94 84.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.979 -1.075 . . . . 0.0 110.761 -178.766 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.06 90.24 5.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.613 -1.305 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.19 69.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.368 -0.832 . . . . 0.0 109.338 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.92 -38.4 82.22 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -62.93 -38.51 91.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.615 -0.678 . . . . 0.0 110.825 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG13 ' CE ' ' A' ' 34' ' ' LYS . 67.4 t -69.37 -55.87 13.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.897 -1.127 . . . . 0.0 112.294 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.95 -39.97 90.93 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.631 -1.293 . . . . 0.0 110.819 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -69.25 -39.96 78.16 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.275 -0.89 . . . . 0.0 111.061 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -78.59 -54.18 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 110.466 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.9 tpt -59.99 -43.54 95.1 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.781 -0.574 . . . . 0.0 112.159 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -68.98 -36.17 77.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.798 -1.189 . . . . 0.0 110.083 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -92.14 -25.86 18.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.03 -1.044 . . . . 0.0 109.724 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.566 ' C ' ' H ' ' A' ' 63' ' ' GLU . 64.1 tp -69.97 -36.08 74.94 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 8.2 t70 -76.7 54.53 0.98 Allowed 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 174.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.566 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.1 tp10 -48.69 -22.13 0.73 Allowed 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 111.395 -2.639 . . . . 0.0 110.448 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 88.4 m-20 -85.13 -0.08 53.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.631 -1.293 . . . . 0.0 107.777 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.34 31.87 78.82 Favored Glycine 0 N--CA 1.495 2.617 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.912 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.573 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 9.7 p-10 -97.81 -12.35 22.31 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.897 -1.355 . . . . 0.0 109.842 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.578 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -6.03 75.49 Favored Glycine 0 N--CA 1.498 2.78 0 O-C-N 120.759 -1.213 . . . . 0.0 110.275 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.545 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.0 mt-10 -120.15 143.14 48.36 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -101.86 131.23 50.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 CA-C-O 122.168 0.985 . . . . 0.0 111.0 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.0 152.94 32.83 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.12 71.27 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.548 -1.345 . . . . 0.0 108.863 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 61.1 tt0 -60.04 -39.95 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.428 -1.42 . . . . 0.0 109.652 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.458 ' CE2' HD21 ' A' ' 37' ' ' LEU . 26.0 t80 -61.31 -40.06 92.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.729 -0.607 . . . . 0.0 112.345 -178.936 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 2.4 p -71.97 -32.98 46.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 O-C-N 121.131 -0.98 . . . . 0.0 110.88 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.73 -59.62 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.09 -1.006 . . . . 0.0 112.106 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.47 -41.66 69.1 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.656 -1.277 . . . . 0.0 112.96 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 82' ' ' THR . 18.5 t -69.98 -40.18 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.491 -1.381 . . . . 0.0 110.906 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -74.13 -25.57 59.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.325 -0.859 . . . . 0.0 108.809 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -31.32 71.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.465 -0.772 . . . . 0.0 110.214 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.503 HD11 HD21 ' C' ' 8' ' ' LEU . 79.1 mt -90.72 -29.0 17.94 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.144 -0.973 . . . . 0.0 110.49 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.508 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 37.1 p -60.82 -54.75 41.35 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.092 -1.005 . . . . 0.0 110.629 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 83' ' ' VAL . 20.1 m -80.68 -33.28 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.768 -1.207 . . . . 0.0 111.031 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.998 -1.064 . . . . 0.0 110.764 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 82' ' ' THR . 22.2 p -68.84 -39.06 80.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.107 -0.995 . . . . 0.0 108.724 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.464 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 24.6 t-20 -59.88 -36.44 76.93 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.543 -0.723 . . . . 0.0 109.529 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -59.91 -40.52 89.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.692 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -66.05 -39.61 90.26 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.786 -1.196 . . . . 0.0 109.797 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' CD2' ' O ' ' A' ' 86' ' ' ASN . 56.6 m-85 54.06 99.88 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.155 -0.965 . . . . 0.0 109.978 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.55 ' C ' ' H ' ' A' ' 92' ' ' ASN . 95.8 m95 -59.98 148.38 35.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.197 -0.939 . . . . 0.0 108.986 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 18.8 pt-20 -69.27 22.1 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.317 -0.864 . . . . 0.0 110.12 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.55 ' H ' ' C ' ' A' ' 90' ' ' TRP . 36.6 t30 82.01 16.49 0.43 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.933 178.975 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.846 0 N-CA-C 119.491 2.556 . . . . 0.0 119.491 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -106.98 -1.35 22.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.566 -0.961 . . . . 0.0 108.785 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE1' HG22 ' A' ' 10' ' ' THR . 71.1 mm-40 -68.78 -53.46 21.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.511 -0.743 . . . . 0.0 109.883 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.531 ' CD1' HD23 ' A' ' 11' ' ' LEU . 18.8 tp -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.402 0.62 . . . . 0.0 109.967 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -56.43 -48.58 76.71 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.415 1.102 . . . . 0.0 108.932 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 10' ' ' THR . 0.3 OUTLIER -65.05 -25.47 67.83 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.431 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -60.01 -48.26 82.44 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.668 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.397 -0.814 . . . . 0.0 109.999 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.77 -40.03 93.72 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.973 0.892 . . . . 0.0 110.363 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.604 HG22 ' OE1' ' A' ' 3' ' ' GLU . 16.8 p -71.59 -45.57 61.8 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.419 0.628 . . . . 0.0 112.297 -177.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.546 HD23 ' CD1' ' A' ' 4' ' ' LEU . 50.5 mt -60.05 -41.52 92.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.715 . . . . 0.0 111.864 -178.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mt -79.91 -29.72 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.126 -0.984 . . . . 0.0 111.026 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.66 -38.95 79.25 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.518 -1.364 . . . . 0.0 108.127 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.2 -35.18 17.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.361 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 17.9 m-30 -60.02 -51.08 71.2 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.881 -1.137 . . . . 0.0 110.9 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -79.39 -26.09 42.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 111.958 -177.705 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.97 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.325 -1.485 . . . . 0.0 110.483 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 18' ' ' HIS . . . . . 0.529 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 76.5 m80 -66.56 -38.44 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.827 -1.171 . . . . 0.0 110.447 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -64.89 -12.08 44.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.232 -0.917 . . . . 0.0 111.756 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 13.9 60.23 Favored Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.299 -0.875 . . . . 0.0 111.006 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -88.24 -65.59 1.0 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.712 -1.463 . . . . 0.0 109.532 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -121.5 -5.18 9.29 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.303 -0.873 . . . . 0.0 110.332 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' GLY . . . . . 0.558 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -77.84 -170.65 35.81 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' B' ' 25' ' ' LYS . 95.8 m-20 -96.81 176.11 6.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -1.03 . . . . 0.0 108.82 179.384 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 24' ' ' ASP . 62.2 mttp -40.26 103.64 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.13 0.967 . . . . 0.0 110.416 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 40.2 66.1 0.66 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.818 0.818 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.54 144.89 30.79 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 176.799 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.463 ' N ' HD22 ' B' ' 28' ' ' LEU . 4.2 mm? -96.34 149.07 22.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.747 -1.22 . . . . 0.0 110.331 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.481 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 55.2 m -124.23 160.62 27.54 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -48.84 -44.17 39.3 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.673 -1.267 . . . . 0.0 110.74 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.44 -27.67 65.45 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.545 -1.347 . . . . 0.0 111.382 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.558 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 85.6 mt-10 -78.47 -36.41 45.29 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 108.78 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.12 -50.02 75.33 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.591 -0.693 . . . . 0.0 112.122 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.418 ' CE ' HG13 ' B' ' 54' ' ' VAL . 18.2 mmtt -67.21 -41.96 84.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.821 -1.175 . . . . 0.0 111.978 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.408 ' O ' ' OG1' ' B' ' 39' ' ' THR . 13.3 t70 -68.23 -29.8 68.71 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.8 -1.187 . . . . 0.0 108.768 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.6 tp -60.11 -39.49 86.41 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.739 -0.6 . . . . 0.0 112.531 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 41' ' ' LEU . 57.5 mt -83.35 -39.8 20.27 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.279 -1.513 . . . . 0.0 112.594 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -82.74 -16.06 49.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.242 -1.536 . . . . 0.0 111.266 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 31.9 m -90.02 -28.64 18.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.547 -1.345 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.529 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 12.8 mp0 -109.83 -39.33 5.12 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 41' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 37' ' ' LEU . 1.8 mt -102.33 136.18 42.62 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 122.244 1.021 . . . . 0.0 108.472 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.9 m -50.37 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.919 0 O-C-N 121.392 -0.817 . . . . 0.0 111.033 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m -161.13 42.69 0.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 110.684 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -77.04 -39.98 48.06 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.431 HD13 ' N ' ' B' ' 45' ' ' LEU . 0.5 OUTLIER -95.07 128.26 41.76 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 176.126 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 34.0 p-10 -97.96 146.66 25.26 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 121.207 -0.933 . . . . 0.0 109.192 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.04 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.94 -68.45 0.67 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.197 -0.939 . . . . 0.0 110.38 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.694 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.08 -38.96 84.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.004 -1.06 . . . . 0.0 110.784 -178.795 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -95.07 90.12 5.81 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.68 -1.263 . . . . 0.0 109.628 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.2 -32.9 69.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.904 . . . . 0.0 109.49 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.96 -38.32 82.16 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.523 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -63.97 -36.06 82.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.593 -0.692 . . . . 0.0 111.245 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.418 HG13 ' CE ' ' B' ' 34' ' ' LYS . 63.9 t -71.04 -55.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.908 -1.12 . . . . 0.0 112.105 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.93 -39.97 90.98 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.69 -1.256 . . . . 0.0 110.925 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -69.24 -40.06 78.11 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.271 -0.893 . . . . 0.0 111.029 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.4 mt -78.46 -54.19 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-O 121.753 0.787 . . . . 0.0 110.495 -176.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.1 tpt -59.99 -43.68 95.0 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.729 -0.607 . . . . 0.0 112.177 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.94 -35.87 77.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.859 -1.15 . . . . 0.0 110.183 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -92.48 -25.69 18.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 109.702 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' GLU . 64.4 tp -69.99 -36.25 75.03 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.589 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 8.3 t70 -76.64 54.62 0.97 Allowed 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.2 tp10 -48.65 -22.28 0.75 Allowed 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 111.285 -2.689 . . . . 0.0 110.327 -177.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 87.9 m-20 -85.18 0.01 53.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.623 -1.298 . . . . 0.0 107.806 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.23 32.0 79.07 Favored Glycine 0 N--CA 1.495 2.625 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.921 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.583 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 9.6 p-10 -97.61 -12.91 21.94 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.997 -1.296 . . . . 0.0 109.725 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.589 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.97 -5.86 77.52 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.0 mt-10 -120.26 142.94 48.6 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -101.28 131.09 49.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 CA-C-O 122.275 1.036 . . . . 0.0 111.137 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.85 152.81 33.2 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -36.25 71.4 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.527 -1.358 . . . . 0.0 108.91 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -60.05 -39.94 87.73 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.195 -0.941 . . . . 0.0 110.892 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.6 -39.93 80.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.449 -1.407 . . . . 0.0 109.633 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 26.3 t80 -61.4 -39.97 92.68 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.727 -0.608 . . . . 0.0 112.439 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 2.0 p -71.6 -33.84 50.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 121.131 -0.981 . . . . 0.0 110.944 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.2 -59.82 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 111.977 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.18 -41.8 69.86 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.664 -1.273 . . . . 0.0 112.98 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.2 t -70.12 -40.05 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.487 -1.383 . . . . 0.0 110.934 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -73.8 -25.95 60.37 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.865 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.56 -23.72 67.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.514 -0.742 . . . . 0.0 111.067 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.464 HD11 HD21 ' D' ' 8' ' ' LEU . 79.0 mt -96.04 -28.98 14.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.002 -1.061 . . . . 0.0 109.783 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 35.3 p -61.01 -54.52 43.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.351 -0.843 . . . . 0.0 110.558 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.04 -33.56 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.839 -1.163 . . . . 0.0 110.916 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.044 -1.035 . . . . 0.0 110.826 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 82' ' ' THR . 23.0 p -68.87 -38.9 80.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.025 -1.047 . . . . 0.0 108.678 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 24.5 t-20 -59.92 -36.39 76.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.568 -0.708 . . . . 0.0 109.487 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -60.09 -40.38 89.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.566 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -66.1 -39.47 90.0 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.716 -1.24 . . . . 0.0 109.827 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' B' ' 86' ' ' ASN . 56.9 m-85 53.81 99.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.185 -0.947 . . . . 0.0 110.052 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.537 ' C ' ' H ' ' B' ' 92' ' ' ASN . 95.8 m95 -60.04 148.42 35.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 108.966 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' B' ' 92' ' ' ASN . 19.0 pt-20 -69.3 22.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.255 -0.903 . . . . 0.0 110.091 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' B' ' 90' ' ' TRP . 36.5 t30 82.07 16.6 0.42 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.306 -1.315 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.972 178.956 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -59.98 -35.94 76.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.396 -0.815 . . . . 0.0 109.835 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.92 91.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.294 -0.879 . . . . 0.0 109.504 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.13 -47.63 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.055 -1.028 . . . . 0.0 108.246 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.552 ' HE1' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -60.4 -39.98 89.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.49 -0.756 . . . . 0.0 109.232 179.551 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 6' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' C' ' 10' ' ' SER . 82.6 t60 -60.0 -41.85 93.01 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.045 -1.034 . . . . 0.0 109.362 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -60.07 -49.92 75.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.142 -0.974 . . . . 0.0 110.246 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.92 -50.05 70.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.104 -0.998 . . . . 0.0 110.314 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.9 mp -69.98 -39.96 75.64 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.63 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 10' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' C' ' 6' ' ' HIS . 44.2 t -60.67 -44.59 96.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.959 -1.088 . . . . 0.0 109.532 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -68.67 -39.96 80.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.284 -0.885 . . . . 0.0 109.064 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.427 ' OXT' ' O ' ' C' ' 9' ' ' LEU . 2.4 pt20 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.425 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -60.08 -35.93 76.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.0 109.723 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.93 91.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.057 -1.027 . . . . 0.0 109.452 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.21 -47.48 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.935 -1.103 . . . . 0.0 108.293 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 5' ' ' TRP . . . . . 0.553 ' HE1' ' CD2' ' B' ' 81' ' ' LEU . 0.0 OUTLIER -60.63 -39.93 90.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.468 -0.77 . . . . 0.0 109.199 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.419 ' O ' ' CB ' ' D' ' 10' ' ' SER . 83.2 t60 -60.0 -41.88 93.06 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.05 -1.031 . . . . 0.0 109.417 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.89 -49.95 70.67 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.029 -1.044 . . . . 0.0 110.312 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.4 mp -70.04 -39.96 75.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 10' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' D' ' 6' ' ' HIS . 45.1 t -60.64 -44.55 96.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.936 -1.102 . . . . 0.0 109.498 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -68.65 -39.93 80.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.302 -0.874 . . . . 0.0 109.0 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.418 ' OXT' ' O ' ' D' ' 9' ' ' LEU . 2.5 pt20 . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.444 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.899 0 N-CA-C 119.239 2.456 . . . . 0.0 119.239 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -108.15 -0.44 21.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.461 -1.023 . . . . 0.0 109.24 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.6 mp0 -64.07 -53.06 55.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.311 -0.868 . . . . 0.0 110.469 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.458 HD13 HD23 ' B' ' 11' ' ' LEU . 15.4 tp -59.63 -39.04 83.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.461 -0.774 . . . . 0.0 110.476 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -54.92 -48.81 72.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.199 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 p -64.35 -33.81 76.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.757 -0.589 . . . . 0.0 110.623 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.601 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.77 -49.48 70.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -177.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.446 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 12.6 ttt -59.89 -39.75 86.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.592 -1.317 . . . . 0.0 109.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.51 -39.91 89.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.773 . . . . 0.0 110.329 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.57 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 23.1 p -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.642 -0.661 . . . . 0.0 111.914 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.422 HD23 HD13 ' B' ' 4' ' ' LEU . 69.5 mt -60.03 -40.07 88.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.873 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.08 -29.83 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.426 -0.796 . . . . 0.0 111.567 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.55 -39.99 93.1 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.381 -1.449 . . . . 0.0 108.605 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.1 m -82.06 -36.81 14.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.379 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' N ' HG23 ' A' ' 14' ' ' VAL . 55.8 t80 -59.92 -50.23 74.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 0.0 111.133 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -74.99 -24.16 58.38 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.726 -0.609 . . . . 0.0 110.766 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 -59.39 2.81 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.787 -1.195 . . . . 0.0 110.98 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.52 -39.96 77.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.377 -1.452 . . . . 0.0 111.318 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.15 -16.5 64.36 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.973 -1.08 . . . . 0.0 111.477 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.14 12.0 70.77 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -85.95 -63.64 1.29 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.657 -1.496 . . . . 0.0 107.28 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -119.0 84.23 2.16 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.62 178.53 36.59 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.16 -1.495 . . . . 0.0 111.03 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -99.24 -41.59 7.41 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.082 0.944 . . . . 0.0 109.17 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -170.0 92.54 0.22 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 43.72 25.96 0.11 Allowed 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.066 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -94.47 141.56 28.45 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.79 158.6 15.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.834 -1.167 . . . . 0.0 110.591 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.582 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.0 t -130.75 163.82 26.45 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -46.89 -39.93 13.11 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.099 -1.001 . . . . 0.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -81.66 -26.26 34.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.569 -1.332 . . . . 0.0 112.365 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HB2' ' H ' ' A' ' 29' ' ' SER . 35.9 mt-10 -76.79 -31.42 56.98 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.355 -1.465 . . . . 0.0 110.275 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.47 -34.15 25.45 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.017 -1.052 . . . . 0.0 110.228 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -61.78 -40.98 97.09 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.025 -1.047 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -78.28 -31.45 48.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.197 -0.94 . . . . 0.0 110.144 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -64.53 -39.81 94.44 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.419 -0.801 . . . . 0.0 112.642 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -82.94 -39.02 21.98 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.859 -1.15 . . . . 0.0 112.657 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.3 pt20 -67.51 -40.0 85.14 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.82 -1.175 . . . . 0.0 110.339 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 20.9 m -81.89 -65.12 1.05 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.724 0.773 . . . . 0.0 112.161 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.97 -40.68 75.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.92 34.57 2.25 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 120.802 -1.186 . . . . 0.0 110.493 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 43' ' ' SER . 43.2 m -50.8 133.73 25.98 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 157.19 -47.66 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 CA-C-N 119.068 0.849 . . . . 0.0 110.679 179.275 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 67.4 t80 -160.96 -34.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 110.76 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -58.91 129.51 42.51 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -111.14 144.34 40.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.822 -1.174 . . . . 0.0 108.484 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 1.9 m -152.43 -30.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 38' ' ' GLN . 69.0 mm-40 -80.01 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.864 -1.147 . . . . 0.0 111.338 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.86 -31.13 70.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 0.0 110.983 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.32 91.35 6.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.928 -1.108 . . . . 0.0 109.739 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.84 77.04 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.785 . . . . 0.0 109.344 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.89 94.24 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.518 -0.738 . . . . 0.0 111.716 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 96.9 t -69.5 -56.32 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.809 -1.182 . . . . 0.0 111.974 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.08 -40.0 95.28 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.534 -1.354 . . . . 0.0 110.723 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.7 -39.97 73.13 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.225 -0.922 . . . . 0.0 111.805 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.5 mt -76.98 -54.72 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.097 -1.002 . . . . 0.0 109.847 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.425 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 5.5 tpt -60.02 -47.3 86.39 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.54 -0.725 . . . . 0.0 111.464 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.18 -39.94 90.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.153 -0.967 . . . . 0.0 110.138 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.99 -16.58 33.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.092 -1.005 . . . . 0.0 109.538 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 57' ' ' ILE . 63.7 tp -85.2 -18.57 33.66 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 65' ' ' GLY . 17.0 t0 -91.26 45.93 1.27 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 61' ' ' LEU . 51.1 tp10 -39.71 -19.58 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.511 -2.586 . . . . 0.0 110.53 -178.103 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 62' ' ' ASP . 28.5 m120 -87.67 1.28 54.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.637 -1.289 . . . . 0.0 108.233 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.18 36.02 91.74 Favored Glycine 0 N--CA 1.495 2.579 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.742 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 4.0 p30 -101.61 -14.08 17.57 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.836 -1.391 . . . . 0.0 110.585 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.535 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.75 -5.04 76.82 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 120.665 -1.272 . . . . 0.0 110.859 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.8 mt-10 -123.18 143.74 49.82 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.425 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 62.6 t -107.72 129.04 62.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.223 -0.923 . . . . 0.0 110.071 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -80.43 166.28 21.4 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.7 p90 -59.97 -36.51 77.29 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.092 -1.005 . . . . 0.0 111.009 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' VAL . 61.9 tt0 -61.7 -41.84 98.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.492 -1.38 . . . . 0.0 110.811 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.04 -39.99 75.41 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.809 -1.182 . . . . 0.0 111.063 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.9 t80 -67.21 -39.96 86.36 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.242 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -74.86 -31.82 26.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.37 -0.831 . . . . 0.0 111.047 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -70.04 -58.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.38 -0.825 . . . . 0.0 111.902 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.51 -39.91 81.06 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.968 -1.083 . . . . 0.0 113.107 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 74' ' ' PHE . 15.2 m -66.2 -38.49 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.816 -1.178 . . . . 0.0 110.742 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.11 -27.26 59.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.56 -0.712 . . . . 0.0 110.943 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.03 65.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.563 -1.336 . . . . 0.0 108.421 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' CD2' ' HE1' ' C' ' 5' ' ' TRP . 48.1 mt -65.0 -34.68 79.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.707 -0.62 . . . . 0.0 110.213 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.2 m -60.42 -55.04 38.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.322 -0.861 . . . . 0.0 111.442 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' B' ' 71' ' ' PHE . 45.4 t -73.43 -39.78 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.101 -1.0 . . . . 0.0 110.876 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.98 84.28 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.383 0.611 . . . . 0.0 110.209 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 52.2 t -63.06 -40.07 96.6 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.85 . . . . 0.0 109.704 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.95 -40.24 88.33 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.426 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 95.2 m-20 -60.34 -41.86 94.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.94 -1.1 . . . . 0.0 110.353 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -70.02 -29.63 66.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.154 -0.966 . . . . 0.0 110.432 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 85.2 m-85 59.65 29.56 19.13 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -178.259 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.674 -0.642 . . . . 0.0 110.557 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -57.54 -37.9 73.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.156 -0.965 . . . . 0.0 110.058 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -93.02 -12.15 31.33 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.807 -1.183 . . . . 0.0 109.389 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.486 -179.417 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.909 0 N-CA-C 119.448 2.539 . . . . 0.0 119.448 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -108.18 -0.52 20.94 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.506 -0.997 . . . . 0.0 109.27 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.6 mp0 -63.97 -52.73 58.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.325 -0.86 . . . . 0.0 110.532 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.422 HD13 HD23 ' A' ' 11' ' ' LEU . 17.7 tp -60.0 -39.36 85.53 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.672 -0.643 . . . . 0.0 110.323 -177.075 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.47 -49.17 70.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.073 -1.017 . . . . 0.0 109.269 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 39.8 p -64.43 -32.56 74.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.683 -0.636 . . . . 0.0 110.536 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.57 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.93 -48.74 75.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.376 -0.828 . . . . 0.0 110.381 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.2 ttt -59.97 -39.94 87.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.91 -1.119 . . . . 0.0 109.145 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.18 -40.06 88.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.552 -0.717 . . . . 0.0 110.127 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.601 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 22.5 p -70.59 -46.46 63.38 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.541 -0.725 . . . . 0.0 111.859 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.458 HD23 HD13 ' A' ' 4' ' ' LEU . 67.8 mt -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 0.0 110.874 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.02 -32.12 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 111.102 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.15 -39.92 88.05 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.567 -1.333 . . . . 0.0 108.542 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.417 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.3 m -82.12 -36.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.413 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.417 ' N ' HG23 ' B' ' 14' ' ' VAL . 56.0 t80 -60.0 -50.35 74.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.152 -0.967 . . . . 0.0 111.134 -178.589 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -74.96 -24.18 58.41 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.728 -0.607 . . . . 0.0 110.623 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.69 -59.74 2.65 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.841 -1.162 . . . . 0.0 111.077 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.31 -40.03 77.89 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.404 -1.435 . . . . 0.0 111.413 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.12 -16.58 64.41 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.949 -1.095 . . . . 0.0 111.499 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.29 12.27 70.06 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -86.01 -63.98 1.23 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.428 . . . . 0.0 107.269 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -118.97 84.7 2.24 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.14 178.24 37.16 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.106 -1.521 . . . . 0.0 110.977 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -98.89 -41.57 7.55 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 122.009 0.909 . . . . 0.0 109.288 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -170.0 92.77 0.22 Allowed 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 43.45 26.0 0.09 Allowed 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.189 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.4 ' C ' HD22 ' B' ' 28' ' ' LEU . 6.2 tppt? -94.29 141.55 28.44 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.85 158.16 15.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.743 -1.223 . . . . 0.0 110.708 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.583 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.0 t -130.33 163.72 26.22 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -46.92 -39.96 13.28 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.052 -1.03 . . . . 0.0 110.707 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -81.64 -26.16 35.04 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.659 -1.275 . . . . 0.0 112.232 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.583 ' HB2' ' H ' ' B' ' 29' ' ' SER . 36.0 mt-10 -76.91 -31.51 56.76 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.222 -1.549 . . . . 0.0 110.296 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.32 -33.76 25.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.926 -1.109 . . . . 0.0 110.306 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.37 -41.06 98.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.064 -1.022 . . . . 0.0 110.071 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.12 -31.37 49.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.216 -0.927 . . . . 0.0 110.137 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.86 -39.3 93.33 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.453 -0.78 . . . . 0.0 112.693 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -83.25 -39.27 21.11 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.789 -1.194 . . . . 0.0 112.552 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' B' ' 39' ' ' THR . 12.7 pt20 -67.23 -40.01 86.28 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.773 -1.204 . . . . 0.0 110.338 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 20.3 m -81.82 -65.12 1.05 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.774 0.797 . . . . 0.0 112.152 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.01 -40.47 75.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 34.24 2.36 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.778 -1.201 . . . . 0.0 110.406 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 53.3 m -50.77 133.95 25.61 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 156.84 -48.18 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 119.077 0.853 . . . . 0.0 110.641 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.555 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 68.5 t80 -160.16 -35.2 0.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.737 -1.227 . . . . 0.0 110.686 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.567 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.7 mm? -58.55 129.13 40.59 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -110.87 144.3 40.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.805 -1.184 . . . . 0.0 108.521 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 1.6 m -152.42 -30.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.44 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 67.8 mm-40 -79.98 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 111.39 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.905 . . . . 0.0 111.018 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -94.19 91.46 6.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.906 -1.121 . . . . 0.0 109.623 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.62 76.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.308 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -59.95 -38.9 83.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.257 -0.902 . . . . 0.0 108.67 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.23 86.57 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.531 -0.731 . . . . 0.0 112.078 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 99.5 t -71.25 -56.71 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.79 -1.194 . . . . 0.0 111.72 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -63.71 -40.06 95.83 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.651 -1.281 . . . . 0.0 110.817 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.94 -39.95 72.32 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.174 -0.954 . . . . 0.0 111.633 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -76.81 -54.73 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.068 -1.02 . . . . 0.0 109.762 -177.707 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.431 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 5.2 tpt -59.95 -47.31 86.33 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.701 -0.624 . . . . 0.0 111.468 -178.543 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.44 -39.98 89.21 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.026 -1.046 . . . . 0.0 110.166 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -87.54 -16.84 33.49 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.204 -0.935 . . . . 0.0 109.523 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' B' ' 57' ' ' ILE . 61.4 tp -85.34 -18.38 33.99 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' B' ' 65' ' ' GLY . 17.0 t0 -91.35 45.81 1.26 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' B' ' 61' ' ' LEU . 51.2 tp10 -39.68 -19.53 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 111.602 -2.545 . . . . 0.0 110.511 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 62' ' ' ASP . 28.2 m120 -87.42 0.9 54.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.691 -1.256 . . . . 0.0 108.245 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 62.02 34.71 89.82 Favored Glycine 0 N--CA 1.493 2.492 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.871 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 4.0 p30 -100.97 -13.56 18.24 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.876 -1.367 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.26 -4.81 75.24 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 120.61 -1.306 . . . . 0.0 110.807 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.577 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.5 mt-10 -123.29 143.45 50.06 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.431 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 63.2 t -106.85 128.84 61.3 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 121.174 -0.954 . . . . 0.0 110.23 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.29 166.45 21.34 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.431 ' CD1' HG11 ' A' ' 83' ' ' VAL . 47.2 p90 -60.05 -36.51 77.47 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.042 -1.036 . . . . 0.0 110.969 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 60.7 tt0 -61.8 -41.59 97.93 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.444 -1.41 . . . . 0.0 110.815 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.25 -39.93 74.73 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.798 -1.189 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.588 ' O ' HG22 ' B' ' 78' ' ' VAL . 64.8 t80 -67.05 -40.09 87.07 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.93 -31.86 26.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 O-C-N 121.412 -0.805 . . . . 0.0 111.178 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 76' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.5 t -69.85 -58.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.472 -0.767 . . . . 0.0 112.107 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.55 -40.02 80.85 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.921 -1.112 . . . . 0.0 112.903 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.3 m -66.3 -38.13 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.651 -1.281 . . . . 0.0 110.674 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.509 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.47 -26.79 58.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.575 -0.703 . . . . 0.0 111.042 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.553 ' CD2' ' HE1' ' D' ' 5' ' ' TRP . 52.1 mt -60.11 -35.61 75.62 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.229 0.538 . . . . 0.0 110.29 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.446 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 61.8 m -60.49 -54.92 39.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.983 -1.073 . . . . 0.0 111.551 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 71' ' ' PHE . 42.4 t -73.64 -39.37 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.115 -0.991 . . . . 0.0 110.99 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.22 85.19 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.103 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.555 ' SG ' ' CE1' ' B' ' 44' ' ' PHE . 52.3 t -62.92 -40.03 96.37 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.438 -0.789 . . . . 0.0 109.69 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.06 -40.19 88.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.313 -0.867 . . . . 0.0 110.537 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 95.0 m-20 -60.26 -42.16 94.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 0.0 110.296 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -69.95 -29.74 66.94 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 0.0 110.366 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 85.1 m-85 59.78 29.51 19.08 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -60.06 -39.98 87.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.685 -0.634 . . . . 0.0 110.495 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -57.43 -37.8 73.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.133 -0.979 . . . . 0.0 110.116 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -93.22 -12.31 30.54 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.894 -1.129 . . . . 0.0 109.278 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.555 -179.493 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -60.12 -48.17 82.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.143 -0.973 . . . . 0.0 109.535 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.75 91.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.627 -0.67 . . . . 0.0 110.021 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.21 -39.98 85.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.316 -0.865 . . . . 0.0 109.091 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -31.52 71.37 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.263 -0.898 . . . . 0.0 110.355 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -59.99 -42.69 94.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -0.879 . . . . 0.0 111.616 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.563 ' CE ' ' HZ2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -61.47 -40.16 93.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.592 -1.317 . . . . 0.0 111.024 -178.746 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' C' ' 12' ' ' GLN . 62.9 tp -60.35 -50.3 74.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.712 -1.243 . . . . 0.0 110.581 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.3 mp -63.86 -39.99 95.49 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 80.4 p -73.98 -20.61 60.29 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.21 -0.931 . . . . 0.0 108.534 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' C' ' 7' ' ' LYS . 6.7 tppt? -132.18 48.35 2.42 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.362 -0.837 . . . . 0.0 109.501 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' C' ' 8' ' ' LEU . 99.0 mt-30 . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.044 -1.035 . . . . 0.0 109.722 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -59.97 -48.45 81.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.1 -1.0 . . . . 0.0 109.583 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.76 90.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.556 -0.715 . . . . 0.0 109.877 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.92 -40.06 85.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.476 -0.765 . . . . 0.0 109.303 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -31.01 70.41 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.173 -0.954 . . . . 0.0 110.337 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -60.1 -43.42 95.59 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.195 -0.94 . . . . 0.0 111.618 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.492 ' CE ' ' HZ2' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -61.49 -40.02 93.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.627 -1.295 . . . . 0.0 111.1 -178.513 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' D' ' 12' ' ' GLN . 60.0 tp -60.36 -50.1 74.94 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.753 -1.217 . . . . 0.0 110.307 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.9 mp -63.9 -39.81 95.05 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.301 -0.875 . . . . 0.0 108.912 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 78.3 p -74.39 -20.49 60.04 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.115 -0.99 . . . . 0.0 108.386 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' D' ' 7' ' ' LYS . 7.1 tppt? -132.1 48.34 2.43 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.428 -0.795 . . . . 0.0 109.586 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' D' ' 8' ' ' LEU . 98.2 mt-30 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.139 -0.975 . . . . 0.0 109.751 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.954 0 N-CA-C 119.323 2.489 . . . . 0.0 119.323 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -107.03 4.91 27.55 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.32 -53.91 50.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.73 -0.607 . . . . 0.0 110.362 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' B' ' 40' ' ' GLU . 91.8 mt -59.91 -39.63 86.09 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.47 -40.83 65.6 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.744 -1.223 . . . . 0.0 108.031 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.789 HG22 HG21 ' B' ' 10' ' ' THR . 0.4 OUTLIER -72.2 -30.47 64.98 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.812 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.9 -53.14 61.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.14 -0.975 . . . . 0.0 110.039 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.35 -40.15 93.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.24 -0.912 . . . . 0.0 111.143 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -39.53 93.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.779 HG21 HG22 ' B' ' 6' ' ' THR . 17.4 p -69.66 -45.49 68.25 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.73 -0.607 . . . . 0.0 111.108 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.54 -40.16 90.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.627 -0.671 . . . . 0.0 111.972 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.39 -32.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.819 -1.175 . . . . 0.0 112.172 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -61.67 -39.88 92.98 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.26 -1.525 . . . . 0.0 109.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG21 HD21 ' B' ' 4' ' ' LEU . 33.9 m -75.46 -34.82 30.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.624 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -60.17 -54.83 41.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.055 -1.028 . . . . 0.0 111.074 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -73.18 -23.92 60.49 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.607 -0.683 . . . . 0.0 112.279 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.64 -60.16 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.394 -1.441 . . . . 0.0 111.493 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -76.31 -38.52 55.92 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.452 -1.405 . . . . 0.0 112.312 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.4 p -62.32 -21.26 65.13 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.945 -1.097 . . . . 0.0 112.551 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.69 19.18 42.36 Favored Glycine 0 N--CA 1.503 3.141 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -76.15 -47.14 25.4 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.879 -1.365 . . . . 0.0 109.253 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -144.79 18.69 1.64 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.258 -0.901 . . . . 0.0 109.927 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.58 -159.69 24.88 Favored Glycine 0 N--CA 1.504 3.185 0 O-C-N 121.271 -0.893 . . . . 0.0 110.879 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 25' ' ' LYS . 95.2 m-20 -94.09 167.37 11.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.737 -0.861 . . . . 0.0 109.21 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 24' ' ' ASP . 34.6 ttpt -14.01 -100.74 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.541 0 C-N-CA 122.731 0.413 . . . . 0.0 111.352 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -127.17 81.69 2.04 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.696 -1.252 . . . . 0.0 110.317 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HZ3' ' HB2' ' A' ' 27' ' ' LYS . 11.8 ttmm -142.66 143.16 32.23 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.6 tp -91.59 154.88 18.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.95 -1.094 . . . . 0.0 108.406 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.485 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 38.2 t -129.44 164.08 24.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.395 -0.816 . . . . 0.0 109.658 -178.359 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -52.58 -47.05 67.12 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.175 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -73.59 -35.04 65.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.975 -1.078 . . . . 0.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HB2' ' H ' ' A' ' 29' ' ' SER . 95.5 mt-10 -70.39 -31.91 69.33 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.352 -0.843 . . . . 0.0 110.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.68 ' O ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -82.08 -33.23 29.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 0.0 110.466 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.17 -43.99 95.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.161 -0.962 . . . . 0.0 110.904 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.65 -27.36 31.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.108 -0.995 . . . . 0.0 111.186 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.7 -40.48 76.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 112.085 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.721 HD23 ' H ' ' A' ' 38' ' ' GLN . 1.1 pt? -83.88 -39.96 19.22 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.323 -0.86 . . . . 0.0 111.944 -177.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.721 ' H ' HD23 ' A' ' 37' ' ' LEU . 1.7 pp0? -66.54 -38.4 87.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.606 -1.309 . . . . 0.0 110.205 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -66.09 -42.67 89.0 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.171 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.577 ' HB2' HD12 ' B' ' 4' ' ' LEU . 7.7 mt-10 -100.75 -19.66 15.92 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.706 -1.246 . . . . 0.0 111.068 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -122.12 73.86 1.12 Allowed 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.007 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 43' ' ' SER . 73.2 p -85.64 141.0 30.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.424 0.631 . . . . 0.0 109.435 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER 73.75 -3.14 2.57 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.373 -0.83 . . . . 0.0 111.007 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.76 -61.14 1.69 Allowed 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.464 HD21 HD21 ' A' ' 81' ' ' LEU . 1.9 mm? -103.29 136.84 42.31 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 15.9 p-10 -118.79 150.52 39.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.076 -1.015 . . . . 0.0 108.868 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.656 HG11 HD21 ' A' ' 37' ' ' LEU . 10.8 m -154.27 -38.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' N ' HG23 ' A' ' 47' ' ' VAL . 85.6 mt-30 -70.21 -52.04 26.33 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.201 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptpt -69.28 -41.04 77.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.077 -1.014 . . . . 0.0 110.749 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 49' ' ' LYS . 57.7 t0 -100.52 95.35 6.66 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.427 -0.796 . . . . 0.0 110.112 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.77 71.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.454 -0.779 . . . . 0.0 109.018 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -65.0 -38.35 90.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.342 -0.849 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG22 ' HB ' ' A' ' 47' ' ' VAL . 47.9 t -69.93 -55.08 16.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 120.898 -1.126 . . . . 0.0 111.761 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.34 -40.01 81.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.706 -1.246 . . . . 0.0 111.266 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.563 ' HZ2' ' CE ' ' C' ' 7' ' ' LYS . 0.7 OUTLIER -69.04 -40.0 78.83 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.976 -1.077 . . . . 0.0 111.473 -178.265 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -77.1 -54.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.212 -0.93 . . . . 0.0 110.607 -177.063 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.501 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -62.61 -45.28 93.6 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.674 -0.641 . . . . 0.0 112.084 -177.219 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' CB ' ' NZ ' ' A' ' 59' ' ' LYS . 8.8 mtmp? -65.53 -38.62 90.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.772 -1.205 . . . . 0.0 109.527 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -87.39 -16.21 35.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.134 -0.979 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.1 tp -90.79 -18.81 24.28 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.62 ' O ' ' N ' ' A' ' 65' ' ' GLY . 42.3 t0 -91.34 46.94 1.34 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 103.076 -2.935 . . . . 0.0 103.076 173.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' LEU . 52.3 tp10 -39.16 -20.22 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 110.821 -2.899 . . . . 0.0 110.556 -177.486 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' ASP . 17.8 t-20 -85.44 -0.24 54.3 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.341 -1.474 . . . . 0.0 108.102 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 60.03 39.87 96.28 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -102.12 -11.05 19.12 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.002 -1.293 . . . . 0.0 110.952 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 87.07 -9.61 71.85 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 120.59 -1.319 . . . . 0.0 110.393 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 44.4 mt-10 -125.51 144.76 50.4 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 60.9 t -104.71 132.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 72' ' ' GLN . 94.6 m-20 -87.59 126.52 34.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.163 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.509 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 45.2 p90 -26.46 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.9 tt0 -60.2 -40.97 91.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.611 -1.306 . . . . 0.0 109.539 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.1 mt-10 -69.15 -40.01 78.46 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.22 -0.925 . . . . 0.0 109.951 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -62.05 -39.94 94.06 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -71.3 -34.15 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.091 -1.005 . . . . 0.0 110.726 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.75 -58.66 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.114 -0.991 . . . . 0.0 111.235 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' O ' HD22 ' A' ' 81' ' ' LEU . 6.2 tt -70.1 -42.41 72.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.826 -1.171 . . . . 0.0 113.561 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' HD23 ' A' ' 81' ' ' LEU . 53.1 t -61.14 -40.05 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.658 -1.276 . . . . 0.0 110.45 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.56 -28.12 37.32 Favored 'General case' 0 C--N 1.286 -2.167 0 O-C-N 121.219 -0.925 . . . . 0.0 112.412 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.81 -56.05 10.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 119.806 -1.809 . . . . 0.0 110.02 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 82' ' ' THR . 1.3 pt? -62.23 -39.1 91.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.026 -1.046 . . . . 0.0 111.051 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.592 ' H ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -61.92 -49.78 74.78 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.385 -0.822 . . . . 0.0 112.102 -177.488 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' N ' ' CG2' ' A' ' 82' ' ' THR . 19.4 m -74.05 -36.63 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.095 -1.628 . . . . 0.0 109.742 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.5 -32.17 72.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.789 -0.57 . . . . 0.0 110.744 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.506 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 93.0 m -69.93 -40.25 75.64 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.239 -0.913 . . . . 0.0 109.001 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.0 -39.95 91.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.496 -0.753 . . . . 0.0 109.994 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -60.63 -39.68 89.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.794 . . . . 0.0 110.873 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 20.1 m-85 -66.51 -62.15 1.61 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.679 -1.263 . . . . 0.0 110.61 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 9.0 m-85 -178.15 161.1 1.45 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.308 -0.87 . . . . 0.0 109.023 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -80.07 -12.92 59.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.176 -0.953 . . . . 0.0 108.879 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -79.97 -10.07 59.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.419 -0.801 . . . . 0.0 109.506 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 85' ' ' CYS . 50.2 p-10 -79.4 -0.2 31.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.983 -1.073 . . . . 0.0 109.004 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.567 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.913 0 N-CA-C 119.431 2.532 . . . . 0.0 119.431 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -107.32 5.23 27.31 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.4 -53.93 50.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.197 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 40' ' ' GLU . 93.1 mt -59.83 -39.72 86.03 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.215 -0.928 . . . . 0.0 110.03 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -53.48 -41.07 65.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.708 -1.245 . . . . 0.0 107.997 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.779 HG22 HG21 ' A' ' 10' ' ' THR . 0.4 OUTLIER -72.03 -28.88 63.66 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.829 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.43 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.85 -51.69 68.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.065 -1.022 . . . . 0.0 109.758 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.79 -40.14 94.17 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.462 -0.774 . . . . 0.0 110.82 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.73 -39.43 94.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.856 . . . . 0.0 110.051 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.789 HG21 HG22 ' A' ' 6' ' ' THR . 18.0 p -69.97 -45.5 67.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.771 -0.581 . . . . 0.0 110.989 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.04 -40.6 89.96 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.663 -0.648 . . . . 0.0 112.131 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -82.82 -34.67 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 112.085 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.41 -40.1 89.78 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.462 -1.399 . . . . 0.0 109.044 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 4' ' ' LEU . 34.0 m -75.7 -34.5 28.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.839 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.402 ' CD2' ' CD2' ' B' ' 16' ' ' HIS . 13.8 t80 -60.03 -54.93 40.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.945 -1.097 . . . . 0.0 111.079 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 16' ' ' HIS . . . . . 0.402 ' CD2' ' CD2' ' B' ' 15' ' ' PHE . 32.6 m170 -73.04 -23.88 60.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.558 -0.714 . . . . 0.0 112.31 -177.207 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.73 -60.0 2.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.424 -1.423 . . . . 0.0 111.595 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -76.73 -38.33 54.43 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.432 -1.417 . . . . 0.0 112.244 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.4 p -62.37 -21.51 65.39 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.983 -1.073 . . . . 0.0 112.564 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.36 19.62 42.19 Favored Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -76.29 -47.41 23.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.819 -1.401 . . . . 0.0 109.228 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -144.65 18.51 1.66 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.292 -0.88 . . . . 0.0 109.836 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.34 -159.82 25.13 Favored Glycine 0 N--CA 1.501 3.003 0 O-C-N 121.223 -0.923 . . . . 0.0 110.852 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' B' ' 25' ' ' LYS . 95.6 m-20 -94.07 167.07 11.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.762 -0.846 . . . . 0.0 109.198 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' B' ' 24' ' ' ASP . 34.7 ttpt -13.85 -100.75 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.659 0 C-N-CA 122.792 0.437 . . . . 0.0 111.491 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -126.98 81.63 2.03 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 120.703 -1.248 . . . . 0.0 110.296 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -142.55 143.27 32.41 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' B' ' 28' ' ' LEU . 8.8 tp -91.83 154.23 19.04 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.915 -1.116 . . . . 0.0 108.19 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 48.3 t -129.49 163.7 25.34 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.315 -0.866 . . . . 0.0 109.68 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -51.67 -47.59 63.77 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.73 -34.81 64.94 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.942 -1.099 . . . . 0.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' B' ' 29' ' ' SER . 92.7 mt-10 -70.4 -31.7 69.02 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 110.372 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.68 ' O ' HD22 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -82.64 -32.81 28.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.405 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.46 -43.58 96.77 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 0.0 110.778 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.54 -27.88 31.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 111.247 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.73 -40.06 76.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.39 -0.819 . . . . 0.0 112.24 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.718 HD23 ' H ' ' B' ' 38' ' ' GLN . 1.1 pt? -84.05 -40.61 18.14 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.24 -0.913 . . . . 0.0 111.995 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.718 ' H ' HD23 ' B' ' 37' ' ' LEU . 0.0 OUTLIER -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 110.108 -179.002 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.465 ' N ' ' CD ' ' B' ' 38' ' ' GLN . 94.4 m -66.29 -42.87 87.76 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.151 -177.683 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.526 ' HB2' HD12 ' A' ' 4' ' ' LEU . 7.1 mt-10 -100.39 -19.75 16.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -122.07 74.0 1.13 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.151 -0.968 . . . . 0.0 108.927 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' B' ' 43' ' ' SER . 74.7 p -85.82 140.93 30.01 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.0 OUTLIER 73.89 -3.63 2.46 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.503 -0.748 . . . . 0.0 110.93 179.093 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -109.21 -61.52 1.61 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.434 HD21 HD21 ' B' ' 81' ' ' LEU . 1.9 mm? -102.89 137.58 40.91 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 15.8 p-10 -119.55 150.87 39.55 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.056 -1.028 . . . . 0.0 108.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.635 HG11 HD21 ' B' ' 37' ' ' LEU . 14.3 m -154.72 -38.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.519 ' N ' HG23 ' B' ' 47' ' ' VAL . 83.0 mt-30 -70.34 -52.75 20.39 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.214 -178.551 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' B' ' 50' ' ' ASP . 12.5 ptpt -68.63 -41.11 79.92 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.238 -0.914 . . . . 0.0 110.725 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' B' ' 49' ' ' LYS . 57.1 t0 -100.47 95.82 6.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.857 . . . . 0.0 110.083 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.61 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.933 . . . . 0.0 108.823 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.13 -36.72 78.12 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.289 -0.882 . . . . 0.0 108.633 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.424 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -66.33 -36.09 82.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.649 -0.657 . . . . 0.0 111.396 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.415 HG22 ' HB ' ' B' ' 47' ' ' VAL . 48.6 t -71.22 -55.27 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.696 -1.252 . . . . 0.0 111.696 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.18 -40.23 82.31 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.077 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.492 ' HZ2' ' CE ' ' D' ' 7' ' ' LYS . 0.7 OUTLIER -69.17 -40.03 78.37 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.03 -1.044 . . . . 0.0 111.484 -178.247 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -76.8 -54.69 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.195 -0.941 . . . . 0.0 110.548 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.486 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.72 -45.68 92.92 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.732 -0.605 . . . . 0.0 112.468 -177.267 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 59' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' B' ' 59' ' ' LYS . 8.9 mtmp? -65.67 -38.38 89.13 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.432 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -87.48 -16.19 35.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.086 -1.009 . . . . 0.0 109.14 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' B' ' 63' ' ' GLU . 43.8 tp -91.13 -18.71 24.07 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.598 ' O ' ' N ' ' B' ' 65' ' ' GLY . 43.8 t0 -91.23 46.71 1.33 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 173.791 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' B' ' 61' ' ' LEU . 52.2 tp10 -39.16 -19.9 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 110.901 -2.863 . . . . 0.0 110.524 -177.269 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 62' ' ' ASP . 18.8 t-20 -85.88 -0.03 54.33 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.405 -1.434 . . . . 0.0 108.229 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.38 37.76 93.65 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -100.3 -10.95 20.74 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.005 -1.291 . . . . 0.0 111.074 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 87.14 -9.94 70.67 Favored Glycine 0 N--CA 1.499 2.883 0 O-C-N 120.442 -1.411 . . . . 0.0 110.426 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.537 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 44.4 mt-10 -125.71 144.99 50.37 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.47 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 62.0 t -104.21 132.69 50.17 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 O-C-N 121.575 -0.703 . . . . 0.0 109.813 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 72' ' ' GLN . 94.6 m-20 -87.47 126.67 35.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.142 -0.974 . . . . 0.0 109.049 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 46.3 p90 -26.81 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.7 tt0 -60.03 -41.25 91.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.597 -1.314 . . . . 0.0 109.459 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 70' ' ' ASP . 96.3 mt-10 -69.01 -39.9 79.03 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.179 -0.951 . . . . 0.0 109.806 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.41 -40.18 95.68 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p -70.99 -33.45 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.15 -0.969 . . . . 0.0 110.882 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.48 -58.62 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.962 -1.086 . . . . 0.0 111.316 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.465 ' O ' HD22 ' B' ' 81' ' ' LEU . 6.2 tt -69.91 -43.07 72.46 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.94 -1.1 . . . . 0.0 113.238 -176.462 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.423 ' O ' HD23 ' B' ' 81' ' ' LEU . 54.6 t -60.83 -39.73 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.601 -1.312 . . . . 0.0 110.28 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.6 36.99 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 121.178 -0.952 . . . . 0.0 112.508 -178.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.69 -59.8 3.05 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 119.77 -1.831 . . . . 0.0 108.855 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.551 HD23 ' H ' ' B' ' 82' ' ' THR . 1.4 pt? -58.59 -39.44 80.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.33 -0.856 . . . . 0.0 111.055 -177.435 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.551 ' H ' HD23 ' B' ' 81' ' ' LEU . 0.6 OUTLIER -61.7 -50.01 74.16 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.124 -177.709 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 82' ' ' THR . 18.4 m -73.91 -36.49 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.251 -1.531 . . . . 0.0 109.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.402 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -61.55 -32.51 72.58 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.803 -0.561 . . . . 0.0 110.721 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.501 ' O ' ' ND2' ' B' ' 92' ' ' ASN . 99.6 m -69.96 -40.19 75.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 108.922 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.79 -40.0 90.97 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.478 -0.764 . . . . 0.0 110.163 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -60.16 -39.86 87.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.387 -0.821 . . . . 0.0 111.035 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 19.9 m-85 -66.55 -61.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.75 -1.219 . . . . 0.0 110.587 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 8.3 m-85 -178.36 160.8 1.34 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.394 -0.816 . . . . 0.0 109.175 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -80.02 -13.01 59.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.081 -1.012 . . . . 0.0 108.88 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -79.97 -9.95 59.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.485 -0.759 . . . . 0.0 109.393 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' B' ' 85' ' ' CYS . 50.1 p-10 -79.33 -0.43 32.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.031 -1.043 . . . . 0.0 109.144 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.522 179.862 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' C' ' 2' ' ' LYS . 16.1 ptpt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 2' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' C' ' 1' ' ' LYS . 3.0 ttmp? 40.21 -129.34 0.37 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.515 -0.741 . . . . 0.0 109.869 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.66 77.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.022 -1.049 . . . . 0.0 109.874 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.29 -25.4 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.013 -1.055 . . . . 0.0 109.498 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.372 -0.83 . . . . 0.0 110.057 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -68.2 -23.46 64.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.682 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -59.97 -54.65 43.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.827 -1.171 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.53 -50.01 75.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 110.037 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 3.7 mm? -60.04 -39.62 86.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t -67.5 -40.1 85.16 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.046 -1.033 . . . . 0.0 110.475 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' C' ' 12' ' ' GLN . 38.7 mmtm -60.09 -39.94 87.85 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.04 -1.037 . . . . 0.0 110.963 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' C' ' 11' ' ' LYS . 6.6 pt20 . . . . . 0 N--CA 1.499 2.006 0 O-C-N 121.025 -1.047 . . . . 0.0 110.407 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 1' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' D' ' 2' ' ' LYS . 16.4 ptpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 2' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' D' ' 1' ' ' LYS . 2.9 ttmp? 40.5 -129.38 0.4 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.625 -0.672 . . . . 0.0 109.845 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.76 77.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.16 -0.962 . . . . 0.0 109.8 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -61.18 -25.48 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.177 -0.952 . . . . 0.0 109.527 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -59.86 -39.85 86.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.802 . . . . 0.0 110.263 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -68.34 -23.62 64.72 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.205 -0.934 . . . . 0.0 110.608 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' LYS . . . . . 0.401 ' HZ1' ' HG3' ' B' ' 56' ' ' LYS . 47.1 tttt -60.06 -54.77 42.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.826 -1.171 . . . . 0.0 110.509 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.32 -50.04 75.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.627 -1.296 . . . . 0.0 110.105 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.44 ' N ' HD22 ' D' ' 9' ' ' LEU . 3.7 mm? -59.96 -39.41 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.171 -0.956 . . . . 0.0 109.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t -67.8 -40.04 83.93 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.134 -0.979 . . . . 0.0 110.44 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' D' ' 12' ' ' GLN . 38.6 mmtm -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.046 -1.034 . . . . 0.0 110.977 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' D' ' 11' ' ' LYS . 6.8 pt20 . . . . . 0 N--CA 1.499 2.025 0 O-C-N 121.081 -1.012 . . . . 0.0 110.456 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.819 0 N-CA-C 119.503 2.561 . . . . 0.0 119.503 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -108.58 -0.4 20.31 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.447 -1.031 . . . . 0.0 109.606 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.506 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.8 mt-10 -60.32 -57.93 10.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.954 -1.091 . . . . 0.0 110.834 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.522 HD21 HG11 ' B' ' 14' ' ' VAL . 95.1 mt -60.0 -34.51 73.43 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.497 -1.377 . . . . 0.0 109.604 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -57.33 -41.03 79.22 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.08 -1.012 . . . . 0.0 108.492 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 30.2 p -71.58 -31.83 67.39 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.294 -0.878 . . . . 0.0 109.304 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.54 -57.13 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.671 -0.643 . . . . 0.0 110.942 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptm -59.98 -33.08 71.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.611 -1.306 . . . . 0.0 110.192 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.47 -40.04 92.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.2 -0.937 . . . . 0.0 110.246 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 p -68.59 -45.58 71.63 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.687 -0.633 . . . . 0.0 110.647 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 ' CD2' ' B' ' 4' ' ' LEU . 84.8 mt -61.12 -40.12 92.59 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 111.751 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.07 -39.56 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.94 -1.1 . . . . 0.0 112.625 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 3' ' ' GLU . 22.6 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.075 -1.64 . . . . 0.0 109.878 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG11 HD21 ' B' ' 4' ' ' LEU . 7.9 p -77.71 -34.35 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.892 -0.505 . . . . 0.0 110.542 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 46.8 t80 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.173 -0.954 . . . . 0.0 110.973 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -74.12 -21.69 59.77 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.79 -0.569 . . . . 0.0 110.789 -178.263 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -60.55 2.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.126 . . . . 0.0 110.45 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -69.93 -40.03 75.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.447 -1.408 . . . . 0.0 110.705 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 p -68.97 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 111.263 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.79 11.58 66.24 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.146 -0.971 . . . . 0.0 110.923 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -84.97 -59.92 2.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.709 -1.465 . . . . 0.0 109.028 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 8.2 pt-20 -132.85 71.0 1.46 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.49 -0.756 . . . . 0.0 109.724 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.08 -151.44 7.61 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 28.0 t0 -91.0 158.92 16.42 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 93.5 mttt -55.32 -28.35 53.1 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.036 -1.04 . . . . 0.0 110.369 -178.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -146.96 48.05 1.15 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.574 -1.329 . . . . 0.0 112.532 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -138.69 137.85 37.2 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 tp -94.13 149.77 20.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.501 -1.374 . . . . 0.0 108.85 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 23.1 t -125.8 162.98 23.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.343 -0.848 . . . . 0.0 109.404 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -53.34 -47.97 68.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.157 -0.965 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 22' ' ' GLU . 19.4 pttp -70.93 -29.0 64.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.97 -1.081 . . . . 0.0 110.005 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HB2' ' H ' ' A' ' 29' ' ' SER . 91.3 mt-10 -79.44 -35.15 40.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.01 -49.99 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.689 -0.632 . . . . 0.0 111.75 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -67.83 -35.18 78.13 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.763 -1.211 . . . . 0.0 111.581 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.26 -38.19 90.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.73 -1.231 . . . . 0.0 108.292 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 60.5 tp -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD21 ' CE2' ' A' ' 74' ' ' PHE . 86.7 mt -85.87 -33.69 21.2 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.477 -1.389 . . . . 0.0 113.566 -177.611 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.26 -20.86 63.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.249 -1.532 . . . . 0.0 110.226 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -74.89 -64.52 1.03 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.837 -0.54 . . . . 0.0 111.749 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 33.2 mp0 -89.95 -50.0 6.28 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.449 -1.407 . . . . 0.0 112.203 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.48 69.11 4.93 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.655 -1.278 . . . . 0.0 108.96 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -80.01 -22.08 42.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.784 -0.572 . . . . 0.0 111.416 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.2 p -110.24 6.34 22.49 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.116 -0.99 . . . . 0.0 111.56 -178.21 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.22 -82.07 0.64 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.032 -1.043 . . . . 0.0 108.522 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.587 ' N ' HD22 ' A' ' 45' ' ' LEU . 2.8 mm? -70.02 139.87 52.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 47' ' ' VAL . 92.4 m-20 -128.47 156.55 43.06 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 122.21 1.005 . . . . 0.0 109.505 -179.029 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.7 m -159.25 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.6 pt20 -82.12 -36.45 27.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.579 -0.701 . . . . 0.0 111.906 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -61.33 -39.81 91.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.743 -1.223 . . . . 0.0 109.804 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -124.67 113.62 18.25 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 121.604 0.716 . . . . 0.0 110.623 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.96 -25.87 63.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.95 -39.91 91.32 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.93 95.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.515 -0.74 . . . . 0.0 111.029 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 21.6 t -69.04 -54.71 18.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 112.697 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.79 -40.02 91.52 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 120.522 -1.361 . . . . 0.0 110.928 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -69.61 -39.99 76.88 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.364 -0.835 . . . . 0.0 111.309 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -82.2 -55.81 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.736 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.2 -42.49 95.19 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.753 -0.592 . . . . 0.0 111.7 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.9 -36.84 75.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.963 -1.086 . . . . 0.0 109.558 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -87.83 -18.07 30.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.078 -1.013 . . . . 0.0 109.419 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 57' ' ' ILE . 69.7 tp -83.33 -17.29 42.93 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.3 t0 -94.18 44.87 1.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 103.128 -2.916 . . . . 0.0 103.128 174.084 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.7 tt0 -37.9 -18.18 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 111.202 -2.726 . . . . 0.0 111.06 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 82.7 m-20 -86.71 0.06 55.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.534 -1.354 . . . . 0.0 108.088 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.98 36.45 90.31 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.741 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -99.4 -13.17 19.69 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.832 -1.393 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 88.64 -10.16 73.15 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.663 -1.273 . . . . 0.0 110.309 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 mt-10 -121.16 139.75 52.93 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -96.19 138.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 121.526 0.679 . . . . 0.0 109.178 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.556 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 41.8 t0 -95.04 117.82 30.81 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.2 p90 -24.65 -39.14 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 20.3 tm0? -59.99 -42.68 94.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.625 -1.297 . . . . 0.0 108.845 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 70' ' ' ASP . 99.4 mt-10 -64.14 -39.99 95.2 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.983 0.897 . . . . 0.0 109.223 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.445 ' CE2' HD21 ' A' ' 37' ' ' LEU . 25.2 t80 -60.08 -39.96 87.91 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.883 -0.511 . . . . 0.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -70.0 -33.24 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.726 -1.234 . . . . 0.0 111.458 -177.85 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.34 -60.33 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.682 -1.261 . . . . 0.0 111.817 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.09 -42.59 72.52 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.943 -1.098 . . . . 0.0 112.695 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.15 -41.24 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.9 -1.125 . . . . 0.0 111.424 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -74.46 -24.26 59.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.072 -1.017 . . . . 0.0 109.469 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.78 -52.16 47.37 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.54 -33.22 75.12 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.552 0.692 . . . . 0.0 110.042 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -53.93 52.03 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.503 -0.748 . . . . 0.0 111.417 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -80.18 -29.97 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.851 -1.155 . . . . 0.0 110.994 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.2 90.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.353 -0.842 . . . . 0.0 110.241 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.8 m -69.59 -40.05 76.92 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.29 -0.881 . . . . 0.0 109.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.511 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 24.3 m120 -60.01 -41.61 92.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.353 -0.842 . . . . 0.0 109.712 -179.346 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -63.89 -39.95 95.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.945 . . . . 0.0 109.98 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.33 -19.53 64.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.261 -0.9 . . . . 0.0 109.876 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.48 139.95 56.66 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.099 -1.001 . . . . 0.0 109.113 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -60.01 -40.1 88.07 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.214 -0.929 . . . . 0.0 110.535 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.23 -9.99 59.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.112 -0.993 . . . . 0.0 109.887 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.511 ' ND2' ' O ' ' A' ' 86' ' ' ASN . 91.8 m-20 -105.65 19.33 20.73 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.47 -0.769 . . . . 0.0 109.236 -179.826 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.649 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.879 0 N-CA-C 119.662 2.625 . . . . 0.0 119.662 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m -108.89 -0.23 19.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.459 -1.024 . . . . 0.0 109.591 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.8 mt-10 -60.38 -57.92 10.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.936 -1.103 . . . . 0.0 110.777 -177.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.506 HD21 HG11 ' A' ' 14' ' ' VAL . 96.1 mt -59.92 -35.01 73.98 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.518 -1.364 . . . . 0.0 109.623 -178.268 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.9 -41.15 77.57 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.05 -1.031 . . . . 0.0 108.518 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 30.7 p -71.56 -31.07 66.58 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.282 -0.886 . . . . 0.0 109.351 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.17 -56.66 18.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.695 -0.628 . . . . 0.0 110.94 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.7 ptm -60.06 -33.1 71.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.9 -1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.68 -39.82 91.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.237 -0.915 . . . . 0.0 110.144 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.403 ' O ' HG12 ' B' ' 14' ' ' VAL . 7.8 p -68.84 -45.74 70.34 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.437 0.637 . . . . 0.0 110.603 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.438 HD23 ' CD2' ' A' ' 4' ' ' LEU . 84.2 mt -60.65 -40.09 90.76 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.497 -0.752 . . . . 0.0 111.894 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -82.22 -40.01 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.785 -1.197 . . . . 0.0 112.538 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' OE2' ' A' ' 3' ' ' GLU . 22.9 t-20 -60.06 -40.96 91.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.221 -1.549 . . . . 0.0 109.769 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 4' ' ' LEU . 8.2 p -77.89 -34.24 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.912 -0.493 . . . . 0.0 110.585 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 47.4 t80 -59.97 -50.12 75.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.025 -1.047 . . . . 0.0 110.903 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -74.1 -21.64 59.81 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.894 -0.504 . . . . 0.0 110.721 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.16 -60.64 2.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.848 -1.157 . . . . 0.0 110.522 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -69.81 -40.07 76.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.375 -1.453 . . . . 0.0 110.637 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -68.96 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.35 -0.844 . . . . 0.0 111.328 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.05 11.81 65.72 Favored Glycine 0 N--CA 1.497 2.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.829 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -84.89 -60.37 2.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.75 -1.441 . . . . 0.0 109.024 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.52 ' O ' ' NZ ' ' B' ' 31' ' ' LYS . 8.2 pt-20 -132.59 71.04 1.46 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.494 -0.754 . . . . 0.0 109.741 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.11 -151.58 7.7 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 27.8 t0 -90.81 158.87 16.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.089 -1.242 . . . . 0.0 107.798 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 93.0 mttt -55.38 -28.27 52.9 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.054 -1.028 . . . . 0.0 110.237 -178.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -146.99 47.99 1.15 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.589 -1.319 . . . . 0.0 112.637 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -138.54 137.91 37.5 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 28' ' ' LEU . 11.9 tp -94.12 149.99 20.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.556 -1.34 . . . . 0.0 108.862 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.3 t -126.07 162.35 25.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.384 -0.822 . . . . 0.0 109.393 -178.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -47.68 68.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.04 -1.037 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' B' ' 22' ' ' GLU . 19.6 pttp -71.23 -28.77 64.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.088 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.486 ' HB2' ' H ' ' B' ' 29' ' ' SER . 90.7 mt-10 -79.31 -35.41 41.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.95 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.861 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.64 -35.13 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.721 -1.237 . . . . 0.0 111.548 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.39 -38.32 90.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.702 -1.249 . . . . 0.0 108.312 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 63.2 tp -60.03 -39.97 87.75 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' B' ' 74' ' ' PHE . 85.1 mt -85.96 -33.2 21.19 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.672 -1.267 . . . . 0.0 113.613 -177.593 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -70.79 -20.66 62.57 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.276 -1.515 . . . . 0.0 110.164 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 90.5 m -74.9 -64.53 1.03 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.839 -0.538 . . . . 0.0 111.629 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 33.4 mp0 -89.93 -49.89 6.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.551 -1.343 . . . . 0.0 112.328 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 69.27 4.7 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.61 -1.306 . . . . 0.0 108.924 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -80.07 -22.16 42.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.906 -0.496 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -110.23 6.51 22.66 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.124 -0.985 . . . . 0.0 111.55 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -124.49 -81.83 0.64 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.988 -1.07 . . . . 0.0 108.448 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.571 HD22 ' N ' ' B' ' 45' ' ' LEU . 2.9 mm? -70.17 140.0 52.47 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.484 ' O ' HG13 ' B' ' 47' ' ' VAL . 92.9 m-20 -128.79 156.96 42.75 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 122.221 1.01 . . . . 0.0 109.476 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.484 HG13 ' O ' ' B' ' 46' ' ' ASP . 16.1 m -159.88 -34.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.405 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.4 pt20 -81.99 -36.54 27.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.602 -0.686 . . . . 0.0 111.939 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -61.35 -39.7 91.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.68 -1.263 . . . . 0.0 109.856 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -124.65 113.43 18.01 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.636 0.731 . . . . 0.0 110.642 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -25.35 63.51 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -61.36 -39.64 91.38 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.39 90.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.592 -0.693 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 21.3 t -70.11 -54.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 112.727 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.46 -40.09 92.78 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 120.581 -1.325 . . . . 0.0 110.846 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' HZ1' ' D' ' 7' ' ' LYS . 65.8 mmtt -69.89 -39.86 75.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.312 -0.867 . . . . 0.0 111.363 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.7 mt -82.31 -55.74 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 110.762 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.01 -42.59 94.63 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.703 -0.623 . . . . 0.0 111.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -70.02 -36.94 75.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.963 -1.085 . . . . 0.0 109.412 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -87.64 -18.1 30.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.177 -0.952 . . . . 0.0 109.424 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' B' ' 57' ' ' ILE . 67.2 tp -83.37 -17.41 42.43 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.567 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 45.5 t0 -93.94 44.91 1.13 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 103.292 -2.855 . . . . 0.0 103.292 173.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.1 tt0 -37.99 -17.99 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 111.191 -2.731 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 82.7 m-20 -86.74 -0.09 55.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.481 -1.387 . . . . 0.0 107.994 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.08 33.76 85.36 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.849 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -97.54 -12.92 22.01 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.751 -1.441 . . . . 0.0 110.671 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.552 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 88.26 -10.21 72.09 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 120.703 -1.248 . . . . 0.0 110.411 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.567 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.9 mt-10 -120.79 141.12 50.81 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -96.86 138.63 21.41 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 121.468 -0.77 . . . . 0.0 109.072 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 41.9 t0 -94.86 118.05 31.14 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.481 -0.762 . . . . 0.0 109.16 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 55.0 p90 -24.9 -38.9 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.558 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 20.4 tm0? -59.98 -42.68 94.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.666 -1.271 . . . . 0.0 108.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.5 mt-10 -64.3 -40.03 95.12 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.941 0.877 . . . . 0.0 109.238 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.441 ' CE2' HD21 ' B' ' 37' ' ' LEU . 25.0 t80 -60.05 -39.89 87.5 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.02 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 0.8 OUTLIER -69.86 -33.3 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.708 -1.245 . . . . 0.0 111.469 -177.976 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.27 -60.49 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.683 -1.261 . . . . 0.0 111.847 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.06 -42.66 72.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 112.713 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.68 -41.55 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.932 -1.105 . . . . 0.0 111.47 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -74.53 -24.2 58.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.212 -0.93 . . . . 0.0 109.641 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.89 14.51 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.11 -33.76 72.56 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.378 0.609 . . . . 0.0 110.108 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -59.94 -54.01 51.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.342 -0.849 . . . . 0.0 111.416 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.11 -29.94 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.855 -1.153 . . . . 0.0 111.007 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.22 90.25 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.57 -39.89 77.08 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.275 -0.891 . . . . 0.0 109.149 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.506 ' O ' ' ND2' ' B' ' 92' ' ' ASN . 24.7 m120 -60.07 -41.54 92.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.0 109.688 -179.294 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -63.99 -40.02 95.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.843 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.33 -19.28 64.48 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.428 -0.795 . . . . 0.0 109.954 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.89 139.96 57.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.01 -1.056 . . . . 0.0 109.068 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -59.98 -40.06 87.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.263 -0.898 . . . . 0.0 110.567 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -71.3 -9.75 58.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.064 -1.022 . . . . 0.0 109.832 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' B' ' 86' ' ' ASN . 92.1 m-20 -105.95 19.33 20.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.375 -0.828 . . . . 0.0 109.251 -179.86 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.724 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -119.15 -49.79 2.38 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.37 -0.831 . . . . 0.0 109.614 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.5 -41.37 76.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.155 -0.966 . . . . 0.0 110.566 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.32 -46.72 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.94 -1.1 . . . . 0.0 109.258 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.415 ' CH2' ' CD2' ' A' ' 81' ' ' LEU . 76.6 t-105 -59.93 -45.12 93.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.48 -0.762 . . . . 0.0 109.506 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -40.04 87.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.519 -0.738 . . . . 0.0 110.558 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.96 -50.04 75.3 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 111.179 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.98 -49.24 78.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.87 -1.144 . . . . 0.0 110.166 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' C' ' 9' ' ' LEU . 3.5 mm? -64.72 -40.83 96.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.914 -1.116 . . . . 0.0 109.057 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m -68.41 -41.35 80.56 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.074 -1.016 . . . . 0.0 109.589 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -60.46 -39.99 89.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.463 -0.773 . . . . 0.0 109.921 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.444 ' OE1' ' OD2' ' A' ' 50' ' ' ASP . 15.1 mm100 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.52 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -119.2 -49.68 2.38 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.481 -0.762 . . . . 0.0 109.597 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.61 -41.14 76.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.262 -0.899 . . . . 0.0 110.576 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.52 -46.9 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.997 -1.064 . . . . 0.0 109.194 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -60.09 -44.73 94.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.425 -0.797 . . . . 0.0 109.527 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.12 -39.99 88.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.493 -0.754 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.176 -0.952 . . . . 0.0 111.089 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 110.062 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 3.8 mm? -64.7 -40.89 96.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.014 -1.054 . . . . 0.0 109.111 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -68.44 -41.21 80.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.027 -1.045 . . . . 0.0 109.587 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -60.61 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 0.0 109.887 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.555 -179.698 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.832 0 N-CA-C 119.391 2.516 . . . . 0.0 119.391 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -105.75 -9.25 17.36 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.454 -1.027 . . . . 0.0 108.691 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' OG1' ' A' ' 6' ' ' THR . 57.4 mm-40 -60.42 -56.81 16.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.404 -0.81 . . . . 0.0 109.88 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.649 HD13 HD23 ' B' ' 11' ' ' LEU . 11.5 tp -57.42 -38.05 73.75 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.6 -1.312 . . . . 0.0 109.623 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.85 -44.09 73.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.242 -0.911 . . . . 0.0 109.183 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 29.3 p -68.79 -33.05 73.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.44 -0.787 . . . . 0.0 110.112 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.603 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -58.32 -42.64 87.22 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 108.962 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 82' ' ' THR . 1.5 mtp -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.917 -1.114 . . . . 0.0 110.63 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -63.76 -39.65 94.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.151 -0.968 . . . . 0.0 109.936 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.607 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 16.7 p -68.34 -47.02 68.6 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.555 -0.716 . . . . 0.0 112.059 -177.56 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD23 HD13 ' B' ' 4' ' ' LEU . 31.2 mt -60.0 -43.81 94.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.289 -0.882 . . . . 0.0 111.74 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.08 -35.5 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.956 -1.09 . . . . 0.0 112.252 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 43.0 m-20 -60.04 -40.19 88.55 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 120.162 -1.586 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.17 -33.84 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.576 -0.703 . . . . 0.0 110.871 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.88 -50.04 75.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.169 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.32 -24.42 46.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.687 -0.633 . . . . 0.0 111.387 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.97 2.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.64 -1.288 . . . . 0.0 110.597 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.92 -39.89 87.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.828 -1.17 . . . . 0.0 111.0 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 21.9 t -61.2 -17.04 51.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 111.399 -178.191 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.61 17.22 10.29 Favored Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -67.52 -23.48 65.46 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.855 -1.379 . . . . 0.0 109.186 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.01 6.46 45.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.461 -0.775 . . . . 0.0 109.778 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.75 28.58 23.55 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 120.059 -1.067 . . . . 0.0 110.846 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 25' ' ' LYS . 92.6 m-20 -104.83 120.01 40.37 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' O ' ' O ' ' A' ' 24' ' ' ASP . 82.7 mttt -28.48 -107.17 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.837 0 CA-C-N 118.683 0.674 . . . . 0.0 110.188 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -136.16 71.82 1.43 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.748 -1.22 . . . . 0.0 110.203 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB2' ' HZ2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -139.19 141.78 37.94 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.678 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.01 150.52 20.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.969 -1.082 . . . . 0.0 110.52 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.527 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.1 p -125.87 164.08 21.53 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.677 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.12 -39.96 30.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.286 -1.366 . . . . 0.0 110.294 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 17.2 tptm -71.73 -32.0 67.3 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.936 -1.102 . . . . 0.0 112.243 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 29' ' ' SER . 27.0 mt-10 -73.04 -38.12 66.63 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.734 -1.229 . . . . 0.0 108.495 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.704 ' C ' HD23 ' A' ' 33' ' ' LEU . 2.5 tt -64.75 -44.1 91.19 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.052 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.643 ' N ' HD23 ' A' ' 33' ' ' LEU . 79.0 tttt -66.33 -40.34 89.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.044 -1.035 . . . . 0.0 112.104 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 31' ' ' LYS . 12.4 p-10 -77.14 -26.72 53.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.704 -1.247 . . . . 0.0 109.507 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.47 -40.09 85.3 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.539 -0.725 . . . . 0.0 112.547 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.94 -34.24 20.95 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.632 -1.293 . . . . 0.0 113.083 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 14.6 pt20 -69.3 -21.0 63.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.613 -1.305 . . . . 0.0 109.747 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -80.08 -70.02 0.55 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.19 -53.97 7.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 112.928 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.96 57.54 2.8 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.637 -1.29 . . . . 0.0 108.423 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 m -69.99 -25.26 63.52 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.263 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 t -105.52 2.11 28.15 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.909 -1.119 . . . . 0.0 111.151 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -119.88 -80.01 0.61 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.268 -0.895 . . . . 0.0 109.101 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.5 mm? -77.23 130.46 37.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p-10 -112.32 155.79 23.52 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 48' ' ' GLN . 15.9 m -155.82 -37.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.506 ' N ' HG23 ' A' ' 47' ' ' VAL . 23.9 mt-30 -69.93 -53.35 18.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.773 -0.579 . . . . 0.0 112.169 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -69.88 -35.46 74.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 111.485 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' OD2' ' OE1' ' C' ' 12' ' ' GLN . 89.8 m-20 -100.13 99.49 10.21 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.904 -1.122 . . . . 0.0 110.258 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.14 -37.47 75.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 93.6 m-20 -59.97 -33.23 71.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.378 -0.826 . . . . 0.0 108.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.57 77.12 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.688 -0.633 . . . . 0.0 110.993 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 53.3 t -69.35 -55.18 16.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.054 -1.029 . . . . 0.0 111.422 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 25.4 p-10 -65.43 -40.49 93.37 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.565 -1.334 . . . . 0.0 111.452 -177.362 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 3.7 ttpm? -70.03 -40.32 75.26 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.995 -1.066 . . . . 0.0 111.111 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -78.93 -55.49 9.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.47 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.08 -46.0 91.01 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.827 -0.546 . . . . 0.0 111.589 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -69.57 -38.26 77.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -84.92 -17.23 38.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.062 -1.024 . . . . 0.0 109.05 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 57' ' ' ILE . 7.2 tt -86.68 -14.43 42.6 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.648 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 8.3 t70 -94.5 46.73 1.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 173.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' A' ' 61' ' ' LEU . 46.9 tp10 -44.25 -21.42 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 110.447 -3.07 . . . . 0.0 110.845 -177.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -85.67 -0.07 54.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.55 -1.344 . . . . 0.0 107.991 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 65.68 31.51 80.18 Favored Glycine 0 N--CA 1.493 2.465 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.408 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 4.4 p-10 -98.38 -11.5 22.38 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.719 -1.46 . . . . 0.0 109.96 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.648 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.06 0.16 88.37 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 46.7 mt-10 -124.74 141.45 52.1 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.8 t -97.04 134.38 35.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-O 122.052 0.93 . . . . 0.0 111.018 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 11.0 t70 -86.98 158.35 19.28 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.5 p90 -60.0 -38.08 81.57 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.1 -1.0 . . . . 0.0 110.305 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.552 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -65.18 -39.66 93.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.857 -1.152 . . . . 0.0 110.646 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.93 -39.94 79.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.39 -1.444 . . . . 0.0 110.154 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.21 -40.0 86.39 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.47 -0.769 . . . . 0.0 112.458 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.73 -31.91 47.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 120.767 -1.208 . . . . 0.0 111.088 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.73 -60.8 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.115 -0.99 . . . . 0.0 112.435 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD22 HD12 ' A' ' 61' ' ' LEU . 6.4 tp -70.17 -40.01 74.94 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.853 -1.155 . . . . 0.0 112.615 -176.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' O ' HG22 ' A' ' 82' ' ' THR . 22.9 t -68.52 -39.93 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.886 -1.134 . . . . 0.0 109.991 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.72 -23.72 61.67 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.78 64.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 111.352 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' CD2' ' CH2' ' C' ' 5' ' ' TRP . 18.5 mt -91.76 -35.98 13.82 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.579 -1.326 . . . . 0.0 110.812 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -65.12 -44.34 89.04 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.622 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' B' ' 71' ' ' PHE . 16.0 t -75.61 -43.75 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 110.265 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.46 71.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.693 -0.63 . . . . 0.0 110.724 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -73.32 -42.78 61.95 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 111.189 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.22 -40.86 91.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 0.0 111.17 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.41 -31.98 32.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.229 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.69 -39.92 93.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.111 -0.993 . . . . 0.0 111.702 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 90' ' ' TRP . 2.8 p90 -83.11 23.87 0.83 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.516 -1.365 . . . . 0.0 110.813 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.474 ' O ' ' O ' ' A' ' 89' ' ' PHE . 35.6 t-105 -60.03 -139.96 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.256 -0.903 . . . . 0.0 109.334 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 90' ' ' TRP . 88.2 tt0 -70.41 -8.88 54.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.958 -1.088 . . . . 0.0 108.243 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . 0.401 ' O ' ' OXT' ' A' ' 93' ' ' SER . 32.0 p-10 -90.49 5.99 45.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.373 -0.829 . . . . 0.0 109.114 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.401 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 41.3 t . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.667 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.817 0 N-CA-C 119.384 2.514 . . . . 0.0 119.384 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -105.5 -9.2 17.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.421 -1.047 . . . . 0.0 108.823 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' B' ' 6' ' ' THR . 57.3 mm-40 -60.33 -56.87 16.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.437 -0.79 . . . . 0.0 109.861 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 11' ' ' LEU . 12.5 tp -57.98 -37.28 73.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.501 -1.374 . . . . 0.0 109.51 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.38 -43.58 75.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.146 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 28.6 p -69.33 -31.94 70.72 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.607 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.745 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 82' ' ' THR . 1.4 mtp -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.143 -0.973 . . . . 0.0 110.441 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 9' ' ' GLU . 0.8 OUTLIER -63.62 -39.63 94.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.087 -1.008 . . . . 0.0 109.942 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 16.8 p -68.22 -47.1 68.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.578 -0.701 . . . . 0.0 112.038 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.649 HD23 HD13 ' A' ' 4' ' ' LEU . 32.1 mt -59.96 -43.72 94.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.295 -0.878 . . . . 0.0 111.836 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mt -79.56 -36.48 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.06 -1.025 . . . . 0.0 112.034 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.4 m-20 -59.87 -40.07 87.41 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.28 -1.513 . . . . 0.0 109.549 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.07 -33.78 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.719 . . . . 0.0 111.037 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.157 -0.965 . . . . 0.0 111.233 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -78.25 -24.17 47.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.587 -0.696 . . . . 0.0 111.445 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.0 -59.95 2.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.651 -1.28 . . . . 0.0 110.597 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -66.73 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.889 -1.132 . . . . 0.0 110.905 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 25.7 t -61.19 -16.99 50.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 111.486 -178.206 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.54 16.73 10.44 Favored Glycine 0 N--CA 1.501 2.969 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -67.11 -23.47 65.83 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.821 -1.4 . . . . 0.0 109.235 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.02 6.37 45.06 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.466 -0.771 . . . . 0.0 109.681 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.6 28.78 23.37 Favored Glycine 0 N--CA 1.496 2.694 0 C-N-CA 120.045 -1.074 . . . . 0.0 110.784 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.623 ' O ' ' O ' ' B' ' 25' ' ' LYS . 92.9 m-20 -104.86 120.0 40.36 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 177.518 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.623 ' O ' ' O ' ' B' ' 24' ' ' ASP . 83.6 mttt -28.73 -107.14 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.802 0 CA-C-N 118.599 0.636 . . . . 0.0 110.176 -178.813 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -136.16 71.71 1.43 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.702 -1.249 . . . . 0.0 110.133 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.416 ' C ' HD22 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -139.24 141.87 37.85 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.1 mm? -97.17 150.15 21.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.027 -1.046 . . . . 0.0 110.539 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.516 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 89.9 p -125.27 164.24 20.77 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.06 -40.04 29.92 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.332 -1.347 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.439 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 17.5 tptm -72.29 -31.08 65.41 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.832 -1.167 . . . . 0.0 112.136 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' B' ' 29' ' ' SER . 26.4 mt-10 -73.53 -38.07 65.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.47 -1.394 . . . . 0.0 108.267 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' LEU . . . . . 0.704 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.5 tt -64.45 -44.52 90.87 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.18 -179.416 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LYS . . . . . 0.63 ' N ' HD23 ' B' ' 33' ' ' LEU . 78.8 tttt -65.99 -40.41 91.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 112.214 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 31' ' ' LYS . 12.4 p-10 -77.12 -26.65 53.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.6 -40.11 84.78 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.528 -0.733 . . . . 0.0 112.562 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -85.81 -35.2 20.83 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.525 -1.359 . . . . 0.0 112.971 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 14.5 pt20 -68.33 -21.19 64.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.748 -1.22 . . . . 0.0 109.764 -178.155 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 59.0 m -79.97 -69.76 0.56 Allowed 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.282 0.563 . . . . 0.0 111.896 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.46 -54.0 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 0.0 112.931 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -93.07 57.65 2.78 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.652 -1.28 . . . . 0.0 108.338 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -70.13 -24.98 63.27 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.224 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -105.94 2.43 27.49 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.0 -1.063 . . . . 0.0 111.061 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.03 -79.96 0.61 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.277 -0.889 . . . . 0.0 109.051 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.48 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -77.29 130.61 37.41 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 33.5 p-10 -112.47 155.53 24.1 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.505 HG23 ' N ' ' B' ' 48' ' ' GLN . 15.9 m -155.81 -37.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.505 ' N ' HG23 ' B' ' 47' ' ' VAL . 24.5 mt-30 -70.07 -53.79 15.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.849 -0.532 . . . . 0.0 112.036 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -69.17 -35.9 76.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.799 -1.188 . . . . 0.0 111.514 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 50' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 90.0 m-20 -100.06 99.52 10.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.967 -1.083 . . . . 0.0 110.101 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -37.18 75.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.419 -0.8 . . . . 0.0 109.057 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 52' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 92.9 m-20 -60.09 -33.46 72.13 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.929 0.871 . . . . 0.0 108.885 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 53' ' ' ALA . . . . . 0.425 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -70.04 -37.05 75.47 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.673 -0.642 . . . . 0.0 111.499 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 56.9 t -71.3 -55.22 14.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 111.384 -178.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 25.2 p-10 -65.22 -40.75 94.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.575 -1.328 . . . . 0.0 111.355 -177.327 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 3.7 ttpm? -70.05 -40.58 75.01 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.984 -1.072 . . . . 0.0 111.096 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.0 mt -78.53 -55.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.231 -0.918 . . . . 0.0 110.509 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.05 -45.6 92.29 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.797 -0.564 . . . . 0.0 111.691 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.95 -37.97 76.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.852 -1.155 . . . . 0.0 110.04 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 56' ' ' LYS . 0.9 OUTLIER -85.02 -17.48 37.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.077 -1.014 . . . . 0.0 109.05 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' B' ' 57' ' ' ILE . 7.1 tt -86.61 -14.29 43.19 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.655 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 8.6 t70 -94.61 46.71 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 173.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' B' ' 61' ' ' LEU . 46.9 tp10 -44.27 -21.46 0.05 OUTLIER 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 110.485 -3.052 . . . . 0.0 110.861 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.69 -0.13 54.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.543 -1.348 . . . . 0.0 108.02 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.82 31.3 79.31 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.284 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.559 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 4.5 p-10 -97.95 -11.97 22.52 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.711 -1.464 . . . . 0.0 109.889 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.655 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.36 0.05 88.48 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 46.4 mt-10 -124.38 141.99 51.64 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.11 134.74 33.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 122.171 0.986 . . . . 0.0 110.997 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.469 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 11.0 t70 -87.22 158.41 19.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.4 p90 -60.05 -38.37 82.62 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.37 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -64.97 -39.61 93.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.834 -1.166 . . . . 0.0 110.63 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -68.96 -40.02 79.16 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.376 -1.452 . . . . 0.0 110.162 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 29.8 t80 -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.537 -0.727 . . . . 0.0 112.446 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.2 p -70.65 -32.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 120.86 -1.15 . . . . 0.0 111.098 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.39 -60.99 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.987 -1.071 . . . . 0.0 112.488 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 77' ' ' LEU . . . . . 0.416 HD22 HD12 ' B' ' 61' ' ' LEU . 6.8 tp -70.18 -40.05 74.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.897 -1.127 . . . . 0.0 112.487 -176.678 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 82' ' ' THR . 23.7 t -68.26 -40.01 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.801 -1.187 . . . . 0.0 110.038 -178.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.26 61.89 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.55 62.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.09 -36.28 11.58 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.673 -1.267 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -65.08 -44.32 89.26 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 118.064 -1.455 . . . . 0.0 109.634 -178.868 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' A' ' 71' ' ' PHE . 18.2 t -75.65 -43.96 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.944 -1.097 . . . . 0.0 110.283 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.38 71.71 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.655 -0.653 . . . . 0.0 110.792 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.443 -0.786 . . . . 0.0 111.121 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -60.12 -40.86 91.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 0.0 111.26 -178.053 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.41 -31.77 33.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 110.311 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -61.84 -40.04 93.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.958 . . . . 0.0 111.653 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 89' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' B' ' 90' ' ' TRP . 2.8 p90 -83.17 24.06 0.82 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.501 -1.374 . . . . 0.0 110.878 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.483 ' O ' ' O ' ' B' ' 89' ' ' PHE . 36.0 t-105 -60.09 -139.96 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.238 -0.914 . . . . 0.0 109.319 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' B' ' 90' ' ' TRP . 88.1 tt0 -70.13 -9.25 54.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.966 -1.084 . . . . 0.0 108.31 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 92' ' ' ASN . . . . . 0.405 ' O ' ' OXT' ' B' ' 93' ' ' SER . 32.2 p-10 -90.29 6.21 43.95 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.37 -0.831 . . . . 0.0 109.095 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 93' ' ' SER . . . . . 0.405 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 41.8 t . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.55 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -60.15 -41.93 93.79 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.828 -0.545 . . . . 0.0 109.722 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.41 -42.56 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.195 -0.94 . . . . 0.0 109.28 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.646 ' HE1' ' HB1' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -60.11 -39.89 87.77 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -39.08 84.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.341 -0.85 . . . . 0.0 110.451 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -59.82 -49.81 76.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.77 -1.206 . . . . 0.0 110.033 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' LEU . . . . . 0.605 HD22 HD11 ' A' ' 57' ' ' ILE . 59.7 tp -67.64 -51.19 52.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.739 -1.225 . . . . 0.0 109.998 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 1.0 OUTLIER -61.05 -40.21 92.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.149 -0.969 . . . . 0.0 110.12 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.7 p -78.52 -51.28 10.2 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.912 -1.118 . . . . 0.0 109.879 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' C' ' 12' ' ' GLN . 9.0 tppt? -69.96 -40.09 75.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.145 -0.972 . . . . 0.0 109.473 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 12' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' C' ' 8' ' ' LEU . 63.5 tt0 . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.223 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -60.2 -41.48 93.05 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.73 98.45 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.723 -0.61 . . . . 0.0 109.819 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.18 -42.78 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.301 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 5' ' ' TRP . . . . . 0.666 ' HE1' ' HB1' ' B' ' 80' ' ' ALA . 0.9 OUTLIER -60.0 -39.96 87.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.221 -0.925 . . . . 0.0 108.606 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -39.13 84.42 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.409 -0.807 . . . . 0.0 110.484 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -59.95 -49.35 78.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.779 -1.201 . . . . 0.0 110.101 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 8' ' ' LEU . . . . . 0.534 HD22 HD11 ' B' ' 57' ' ' ILE . 60.0 tp -67.94 -50.71 54.41 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.755 -1.216 . . . . 0.0 109.894 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 1.4 mm? -61.13 -40.58 94.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 110.016 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 95.8 p -78.9 -50.84 10.54 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.956 -1.09 . . . . 0.0 109.808 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' D' ' 12' ' ' GLN . 8.8 tppt? -70.02 -40.3 75.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.951 . . . . 0.0 109.424 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 12' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' D' ' 8' ' ' LEU . 63.4 tt0 . . . . . 0 N--CA 1.499 2.005 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.12 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 119.531 2.572 . . . . 0.0 119.531 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -106.38 -5.17 19.19 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.556 -0.967 . . . . 0.0 108.755 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 6' ' ' THR . 72.6 mm-40 -69.34 -51.12 40.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.297 -0.877 . . . . 0.0 109.789 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.487 HD13 HD23 ' B' ' 11' ' ' LEU . 11.1 tp -59.26 -39.88 84.23 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.191 -0.943 . . . . 0.0 109.726 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.46 -49.53 64.46 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 122.252 1.025 . . . . 0.0 109.036 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 42.4 p -63.4 -34.25 77.31 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 121.661 -0.649 . . . . 0.0 110.518 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -49.36 -51.44 34.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 110.034 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.0 ttt -59.98 -40.15 88.15 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.804 -1.185 . . . . 0.0 109.313 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.33 -40.97 92.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.253 -0.905 . . . . 0.0 112.065 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.47 ' OG1' ' C ' ' B' ' 3' ' ' GLU . 0.0 OUTLIER -72.74 -43.08 63.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.855 -1.153 . . . . 0.0 111.093 -177.81 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.49 HD23 HD13 ' B' ' 4' ' ' LEU . 88.4 mt -56.52 -41.27 76.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.534 -0.729 . . . . 0.0 109.86 -178.341 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.4 mt -78.94 -27.15 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.454 -0.779 . . . . 0.0 111.649 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.5 -40.18 95.9 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.241 -1.537 . . . . 0.0 109.443 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.46 -33.27 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 120.361 -0.535 . . . . 0.0 111.607 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -54.79 41.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 110.633 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -73.78 -23.12 59.67 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.852 -0.53 . . . . 0.0 111.32 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.17 -61.64 1.83 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.462 -1.398 . . . . 0.0 111.514 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.614 -1.304 . . . . 0.0 112.118 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.631 ' OG ' HD11 ' A' ' 28' ' ' LEU . 57.7 m -57.72 -20.88 37.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 111.578 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.32 20.88 15.71 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.78 -46.66 52.15 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.748 -1.443 . . . . 0.0 108.406 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -145.84 13.47 1.32 Allowed 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.22 -161.2 34.9 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' TYR . 88.2 m-20 -96.55 178.12 5.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.557 -0.967 . . . . 0.0 109.82 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -46.52 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.697 0.76 . . . . 0.0 111.159 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' ASP . 57.1 m-85 41.4 65.03 0.9 Allowed 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.909 0.861 . . . . 0.0 111.325 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' C ' HD22 ' A' ' 28' ' ' LEU . 31.3 tptt -139.38 139.44 37.18 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.631 HD11 ' OG ' ' A' ' 19' ' ' SER . 3.2 mm? -97.79 152.59 19.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.499 -1.375 . . . . 0.0 109.866 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.527 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.7 p -130.9 163.18 28.02 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' SER . 62.6 tttt -47.1 -39.91 14.21 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.938 -1.102 . . . . 0.0 109.706 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -70.06 -38.81 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.425 -0.797 . . . . 0.0 111.84 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 29' ' ' SER . 31.8 mt-10 -70.12 -38.3 75.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.917 -1.114 . . . . 0.0 108.433 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.12 -50.87 71.97 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -69.16 -35.18 76.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.741 -1.224 . . . . 0.0 112.522 -176.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.29 -35.91 71.48 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.31 -1.494 . . . . 0.0 108.621 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 tp -65.96 -40.09 90.98 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.804 -0.56 . . . . 0.0 112.116 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.527 HD21 ' CE1' ' A' ' 74' ' ' PHE . 94.0 mt -85.02 -39.86 17.54 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.504 -1.373 . . . . 0.0 113.11 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.3 pp0? -63.9 -38.83 92.53 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.803 -1.185 . . . . 0.0 110.169 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 95.6 m -72.43 -49.66 31.93 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.408 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 22.4 mp0 -82.21 -52.02 7.37 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.173 -0.954 . . . . 0.0 111.278 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -102.63 77.81 1.64 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 m -86.24 -21.9 27.16 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.0 t -117.31 2.51 12.53 Favored 'General case' 0 N--CA 1.512 2.638 0 O-C-N 120.627 -1.296 . . . . 0.0 112.52 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -120.05 -45.5 2.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.826 -1.171 . . . . 0.0 109.555 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 137.65 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -122.85 157.35 32.69 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.886 -1.134 . . . . 0.0 110.292 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 30.8 m -156.53 -36.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.8 pt20 -88.11 -29.46 20.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.905 -1.122 . . . . 0.0 110.893 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.34 -40.0 92.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.818 -1.176 . . . . 0.0 108.969 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -123.55 113.25 18.47 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.261 0.553 . . . . 0.0 110.371 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.58 77.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.063 -1.023 . . . . 0.0 108.636 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -60.67 -36.74 79.47 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.49 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.918 -1.114 . . . . 0.0 110.396 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 32.9 t -69.82 -57.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.371 -0.831 . . . . 0.0 111.936 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 t0 -60.11 -42.54 94.92 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 120.581 -1.325 . . . . 0.0 111.579 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -70.14 -37.34 75.25 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.038 -1.038 . . . . 0.0 111.592 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.605 HD11 HD22 ' C' ' 8' ' ' LEU . 82.2 mt -81.08 -53.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.809 -1.182 . . . . 0.0 110.748 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.94 -49.19 78.66 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.78 -0.575 . . . . 0.0 111.475 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.28 -39.94 93.23 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.905 -1.122 . . . . 0.0 110.439 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -86.55 -16.9 35.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.822 -1.174 . . . . 0.0 109.54 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' A' ' 63' ' ' GLU . 59.7 tp -83.47 -22.12 32.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.612 ' O ' ' N ' ' A' ' 65' ' ' GLY . 39.0 t0 -87.88 47.54 1.52 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 173.815 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.568 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.8 tt0 -39.19 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 111.516 -2.583 . . . . 0.0 110.547 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.6 m-20 -86.73 0.76 54.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.737 -1.227 . . . . 0.0 108.189 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.612 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.5 37.35 92.0 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.916 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.483 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.7 p30 -104.15 -8.59 19.32 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.94 -1.33 . . . . 0.0 110.607 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLY . . . . . 0.551 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.59 -10.44 55.87 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 120.668 -1.27 . . . . 0.0 110.618 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 95.5 mt-10 -116.01 145.21 43.16 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.5 t -103.83 130.46 54.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.216 -0.928 . . . . 0.0 110.406 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -80.99 160.12 24.68 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 52.9 p90 -59.97 -38.85 83.71 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.97 -1.081 . . . . 0.0 110.023 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.497 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.0 tt0 -63.55 -40.18 96.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.012 -1.055 . . . . 0.0 111.379 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -68.55 -39.77 80.94 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.581 -1.324 . . . . 0.0 110.462 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.738 ' O ' HG22 ' A' ' 78' ' ' VAL . 37.9 t80 -63.77 -52.89 58.32 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.59 -0.694 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -33.89 54.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.839 -0.538 . . . . 0.0 111.826 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.9 -59.12 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.043 -1.035 . . . . 0.0 112.206 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.61 -39.91 80.63 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.648 -1.282 . . . . 0.0 112.845 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 74' ' ' PHE . 21.4 m -65.02 -39.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.885 -1.135 . . . . 0.0 111.3 -177.415 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ALA . . . . . 0.549 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -76.07 -24.98 55.11 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.417 -0.802 . . . . 0.0 109.86 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ALA . . . . . 0.646 ' HB1' ' HE1' ' C' ' 5' ' ' TRP . . . -69.96 -27.81 65.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.856 -1.152 . . . . 0.0 109.896 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.442 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 56.5 mt -88.19 -36.14 16.97 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.043 . . . . 0.0 110.191 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.3 t -66.07 -48.42 71.07 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.858 -1.151 . . . . 0.0 109.804 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.477 ' N ' HG23 ' A' ' 82' ' ' THR . 46.1 t -70.53 -41.59 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.768 -1.207 . . . . 0.0 109.905 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.31 -31.01 71.56 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.381 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.7 m -63.89 -40.12 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.224 -0.922 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . 0.432 HD21 ' HG3' ' A' ' 91' ' ' GLU . 16.7 m120 -70.0 -30.25 67.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.47 -0.769 . . . . 0.0 109.602 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.7 . . . . 0.0 111.027 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -80.18 -69.82 0.56 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.816 -1.178 . . . . 0.0 110.48 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 p90 177.85 27.07 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.364 -0.835 . . . . 0.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -60.0 -40.08 87.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.926 -1.109 . . . . 0.0 109.229 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.432 ' HG3' HD21 ' A' ' 86' ' ' ASN . 98.9 mt-10 -68.05 -16.96 64.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.85 . . . . 0.0 109.829 -179.742 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.46 -18.19 63.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.224 -0.923 . . . . 0.0 108.545 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.349 179.64 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.864 0 N-CA-C 119.506 2.562 . . . . 0.0 119.506 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -106.24 -5.23 19.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.555 -0.968 . . . . 0.0 108.86 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.47 ' C ' ' OG1' ' A' ' 10' ' ' THR . 72.4 mm-40 -69.25 -51.25 39.44 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.323 -0.861 . . . . 0.0 109.612 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.49 HD13 HD23 ' A' ' 11' ' ' LEU . 12.9 tp -59.57 -39.62 84.67 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.77 -177.464 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.74 -49.04 66.24 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 122.295 1.045 . . . . 0.0 109.015 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 41.8 p -63.77 -32.61 74.17 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.63 -0.669 . . . . 0.0 110.447 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.04 61.43 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.683 0.754 . . . . 0.0 109.992 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.9 ttt -60.09 -40.1 88.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.921 -1.112 . . . . 0.0 108.938 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.06 -41.82 93.2 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.315 -0.866 . . . . 0.0 111.879 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.478 ' OG1' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -72.33 -43.45 64.11 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.889 -1.132 . . . . 0.0 111.171 -177.854 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.487 HD23 HD13 ' A' ' 4' ' ' LEU . 88.2 mt -56.06 -41.06 74.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.609 -0.682 . . . . 0.0 110.119 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.2 mt -78.38 -29.67 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 0.0 111.233 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.34 -40.02 89.18 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 120.486 -1.384 . . . . 0.0 109.521 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 m -84.98 -33.46 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.692 -0.63 . . . . 0.0 111.361 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -54.57 44.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 110.522 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.9 -22.61 59.64 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -61.8 1.79 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.454 -1.404 . . . . 0.0 111.409 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.98 -39.93 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.62 -1.3 . . . . 0.0 112.074 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.623 ' OG ' HD11 ' B' ' 28' ' ' LEU . 60.1 m -57.82 -20.35 35.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.992 . . . . 0.0 111.582 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.42 20.52 15.83 Favored Glycine 0 N--CA 1.5 2.915 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.67 -46.96 51.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.697 -1.472 . . . . 0.0 108.442 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -145.44 13.5 1.39 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.72 -161.26 35.41 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' B' ' 26' ' ' TYR . 88.6 m-20 -96.59 178.55 5.3 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.607 -0.937 . . . . 0.0 109.756 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -46.87 94.36 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.707 0.765 . . . . 0.0 111.005 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' B' ' 24' ' ' ASP . 57.7 m-85 41.32 65.19 0.87 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.941 0.877 . . . . 0.0 111.316 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 31.6 tptt -139.47 139.77 37.09 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 176.705 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.623 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.3 mm? -98.24 152.33 19.52 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.542 -1.349 . . . . 0.0 109.864 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.521 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 79.3 p -130.39 163.6 26.55 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -47.69 -40.17 19.39 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 109.713 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -70.04 -38.05 75.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.855 . . . . 0.0 112.008 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.521 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.0 mt-10 -70.21 -38.76 75.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.82 -1.175 . . . . 0.0 108.473 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.99 -51.06 71.29 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -68.82 -35.52 77.09 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.644 -1.285 . . . . 0.0 112.607 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -71.0 -35.54 72.11 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.342 -1.474 . . . . 0.0 108.888 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 56.4 tp -66.34 -40.06 89.61 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.783 -0.573 . . . . 0.0 112.104 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' B' ' 74' ' ' PHE . 95.9 mt -84.8 -40.21 17.47 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.601 -1.312 . . . . 0.0 113.081 -177.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.483 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.3 pp0? -63.72 -38.59 91.66 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 110.238 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.483 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.4 m -72.67 -50.0 27.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.243 -177.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 22.8 mp0 -81.91 -52.01 7.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.129 -0.982 . . . . 0.0 111.3 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.6 77.8 1.65 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.164 -0.96 . . . . 0.0 108.912 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -86.14 -21.73 27.43 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -118.1 3.22 12.08 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.748 -1.22 . . . . 0.0 112.392 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -120.38 -45.17 2.44 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.778 -1.201 . . . . 0.0 109.582 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.14 137.7 47.53 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -123.09 156.76 34.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.746 -1.221 . . . . 0.0 110.224 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.531 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 29.1 m -155.87 -36.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.469 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.5 pt20 -88.39 -29.41 20.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.92 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.62 -39.97 93.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.799 -1.188 . . . . 0.0 108.869 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -123.35 113.32 18.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.252 0.549 . . . . 0.0 110.295 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.05 75.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.077 -1.015 . . . . 0.0 108.63 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -61.09 -36.33 79.38 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.3 79.56 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.914 -1.116 . . . . 0.0 110.75 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 25.8 t -71.75 -57.63 6.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.153 -0.967 . . . . 0.0 111.823 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -60.26 -42.49 95.48 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.663 -1.273 . . . . 0.0 111.438 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -70.27 -37.05 74.79 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.153 -0.967 . . . . 0.0 111.774 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.534 HD11 HD22 ' D' ' 8' ' ' LEU . 81.6 mt -81.16 -53.91 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.675 -1.266 . . . . 0.0 110.704 -177.389 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.93 -48.8 80.2 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.675 -0.641 . . . . 0.0 111.483 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -65.9 -39.6 90.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.961 -1.087 . . . . 0.0 110.429 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.63 -17.05 34.82 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.822 -1.174 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.567 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.8 tp -83.36 -21.98 32.94 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.571 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 38.8 t0 -88.27 47.88 1.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.567 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.9 tt0 -39.52 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 111.222 -2.717 . . . . 0.0 110.544 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' B' ' 62' ' ' ASP . 87.5 m-20 -86.77 0.74 54.19 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.732 -1.23 . . . . 0.0 108.203 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.87 36.21 89.3 Favored Glycine 0 N--CA 1.496 2.658 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.061 177.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.7 p30 -103.08 -8.48 20.5 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.994 -1.298 . . . . 0.0 110.557 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 67' ' ' GLY . . . . . 0.555 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.15 -10.05 55.11 Favored Glycine 0 N--CA 1.496 2.675 0 O-C-N 120.672 -1.268 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.571 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 95.0 mt-10 -116.42 144.25 44.54 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -101.9 130.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 O-C-N 121.231 -0.918 . . . . 0.0 110.704 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 94.9 m-20 -81.27 160.11 24.32 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.2 p90 -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 110.06 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.487 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -63.52 -40.21 96.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.026 -1.046 . . . . 0.0 111.473 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -68.41 -40.05 81.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.6 -1.313 . . . . 0.0 110.343 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.714 ' O ' HG22 ' B' ' 78' ' ' VAL . 36.2 t80 -63.83 -52.54 59.67 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.574 -0.704 . . . . 0.0 112.466 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.01 -34.58 56.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.694 -0.629 . . . . 0.0 111.641 -177.332 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.48 -59.44 3.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 120.968 -1.083 . . . . 0.0 112.238 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.07 -40.09 82.81 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.664 -1.272 . . . . 0.0 112.927 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 78' ' ' VAL . . . . . 0.714 HG22 ' O ' ' B' ' 74' ' ' PHE . 18.6 m -65.54 -38.24 81.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 120.84 -1.162 . . . . 0.0 111.458 -177.342 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 79' ' ' ALA . . . . . 0.526 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -76.69 -25.19 53.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.303 -0.873 . . . . 0.0 109.839 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 80' ' ' ALA . . . . . 0.666 ' HB1' ' HE1' ' D' ' 5' ' ' TRP . . . -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.78 -1.2 . . . . 0.0 110.669 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.474 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 63.2 mt -94.02 -35.44 12.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.913 -1.117 . . . . 0.0 109.354 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.463 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.2 t -66.46 -48.09 71.02 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.609 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.463 ' N ' HG23 ' B' ' 82' ' ' THR . 46.3 t -71.05 -41.68 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.832 -1.167 . . . . 0.0 109.919 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.26 71.72 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.385 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 57.1 m -63.61 -40.11 96.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.917 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 86' ' ' ASN . . . . . 0.471 HD21 ' HG3' ' B' ' 91' ' ' GLU . 17.6 m120 -70.01 -30.38 67.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.609 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -59.98 -40.09 87.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.638 -0.664 . . . . 0.0 110.927 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -79.95 -70.01 0.55 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.782 -1.199 . . . . 0.0 110.439 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 p90 177.62 27.17 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.368 -0.832 . . . . 0.0 109.987 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -59.94 -39.95 87.27 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.979 -1.075 . . . . 0.0 109.301 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.471 ' HG3' HD21 ' B' ' 86' ' ' ASN . 98.8 mt-10 -68.43 -16.87 64.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.346 -0.846 . . . . 0.0 109.566 -179.585 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -69.42 -18.48 63.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 108.531 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 118.15 -0.928 . . . . 0.0 109.29 179.795 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -60.65 -41.53 95.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.131 -0.98 . . . . 0.0 108.802 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.24 99.04 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.856 -0.527 . . . . 0.0 109.877 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.61 -44.83 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.725 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -67.1 -35.26 79.4 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.855 . . . . 0.0 109.805 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -60.04 -39.93 87.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.065 -1.022 . . . . 0.0 110.223 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -64.5 -49.03 72.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.85 -1.156 . . . . 0.0 110.196 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 56.3 tp -70.06 -42.78 72.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.365 -0.835 . . . . 0.0 110.957 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.74 -39.99 84.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.997 -1.065 . . . . 0.0 109.13 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -66.45 -40.4 89.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 0.0 109.326 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -67.18 -40.01 86.52 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.449 -0.782 . . . . 0.0 109.637 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.543 -179.327 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -60.04 -41.74 92.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.157 -0.965 . . . . 0.0 108.915 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.61 99.2 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.294 0.568 . . . . 0.0 109.928 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.31 -44.87 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.724 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -67.3 -35.28 79.12 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.307 -0.871 . . . . 0.0 109.692 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -59.99 -40.05 87.82 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.191 -0.943 . . . . 0.0 110.19 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.4 -49.21 72.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.767 -1.208 . . . . 0.0 110.134 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.04 -42.77 72.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.392 -0.818 . . . . 0.0 110.856 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.64 -39.94 84.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.998 -1.063 . . . . 0.0 109.189 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 14.5 t -66.45 -40.28 89.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -67.4 -40.0 85.57 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.419 -0.8 . . . . 0.0 109.63 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.466 -179.373 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.469 2.547 . . . . 0.0 119.469 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -109.17 -1.85 18.44 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.404 -1.056 . . . . 0.0 109.45 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 6' ' ' THR . 68.5 mm-40 -63.87 -57.54 9.51 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.05 -1.031 . . . . 0.0 111.109 -178.262 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' CD1' HD23 ' B' ' 11' ' ' LEU . 17.6 tp -59.92 -34.22 72.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.19 -0.944 . . . . 0.0 109.606 -178.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.93 -44.47 94.32 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.895 0.855 . . . . 0.0 108.809 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 26.7 p -67.49 -30.41 70.09 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.521 -0.737 . . . . 0.0 109.28 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -55.09 -47.74 74.53 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.556 -0.715 . . . . 0.0 109.503 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.454 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 27.9 ttt -59.96 -39.95 87.37 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.968 -1.082 . . . . 0.0 108.97 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.93 -39.97 93.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.426 -0.796 . . . . 0.0 110.563 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 14.9 p -67.69 -44.86 76.77 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.483 -0.76 . . . . 0.0 111.212 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' B' ' 4' ' ' LEU . 89.8 mt -59.91 -40.06 87.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 110.379 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.79 -30.68 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.341 -0.849 . . . . 0.0 112.636 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 71.2 m-20 -65.21 -39.92 93.45 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.95 -1.719 . . . . 0.0 108.799 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 15' ' ' PHE . 24.2 m -78.05 -38.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.134 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.3 t80 -60.06 -49.49 77.44 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.167 -0.958 . . . . 0.0 110.658 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -76.46 -24.62 53.87 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.472 -0.768 . . . . 0.0 111.742 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.19 -63.7 1.36 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.399 -1.438 . . . . 0.0 110.896 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.535 -1.353 . . . . 0.0 110.169 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.458 ' OG ' HD21 ' A' ' 28' ' ' LEU . 17.0 m -66.24 -7.81 20.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.492 -0.755 . . . . 0.0 110.901 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.0 15.21 60.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -76.06 0.48 Allowed 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 85.5 tt0 -127.97 70.88 1.35 Allowed 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.98 -168.4 24.85 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -87.06 156.17 19.85 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -51.88 -35.71 46.13 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 118.671 -1.212 . . . . 0.0 108.835 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.75 17.68 12.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.8 -1.187 . . . . 0.0 113.926 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -141.56 148.05 38.69 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 121.161 1.801 . . . . 0.0 110.169 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.7 mm? -96.09 165.01 12.45 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.931 0.872 . . . . 0.0 110.662 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.479 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 98.8 p -127.4 160.49 31.26 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -49.46 -40.64 37.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.801 -1.187 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 18.4 tptm -70.64 -30.4 67.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.2 -0.938 . . . . 0.0 111.192 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HB2' ' H ' ' A' ' 29' ' ' SER . 94.3 mt-10 -77.19 -35.36 55.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.73 -1.232 . . . . 0.0 108.887 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.99 -43.96 94.13 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.65 -0.656 . . . . 0.0 110.981 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.21 -42.49 93.46 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -0.88 . . . . 0.0 112.453 -177.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 12.2 p-10 -75.36 -27.38 59.13 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 109.612 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.1 -40.09 94.08 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.54 -0.725 . . . . 0.0 112.226 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 mt -86.28 -35.09 20.15 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.646 -1.284 . . . . 0.0 113.218 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 6.8 pt20 -69.19 -36.89 77.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.418 -1.426 . . . . 0.0 110.569 -177.658 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.9 m -72.43 -49.91 30.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.654 -0.654 . . . . 0.0 112.077 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -86.02 -47.88 9.18 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.01 -1.056 . . . . 0.0 111.001 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -105.38 70.83 0.9 Allowed 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.6 p -80.02 -23.55 41.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.792 -0.568 . . . . 0.0 112.323 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -105.75 4.16 29.64 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.872 -1.142 . . . . 0.0 111.897 -177.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -125.57 -66.67 0.93 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.892 -1.13 . . . . 0.0 109.902 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.5 mm? -83.64 134.53 34.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.183 -0.948 . . . . 0.0 108.775 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -115.5 150.05 37.13 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.719 ' H ' ' NZ ' ' A' ' 49' ' ' LYS . 2.8 m -151.52 -36.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLN . . . . . 0.647 ' H ' ' NZ ' ' A' ' 49' ' ' LYS . 39.0 mt-30 -77.87 -51.81 9.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.873 -0.517 . . . . 0.0 111.86 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . 0.719 ' NZ ' ' H ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -67.76 -39.97 84.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.667 -1.271 . . . . 0.0 109.88 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -100.09 94.54 6.3 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.129 -0.982 . . . . 0.0 109.987 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.0 75.39 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.01 -40.08 88.01 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.9 -54.54 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.859 . . . . 0.0 112.043 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 61.4 t0 -60.08 -40.04 88.17 Favored 'General case' 0 C--N 1.288 -2.084 0 O-C-N 120.402 -1.436 . . . . 0.0 110.766 -177.363 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 6.0 mptp? -70.23 -36.23 74.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.089 -1.007 . . . . 0.0 111.938 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 1.3 pp -82.37 -53.36 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 119.974 -1.704 . . . . 0.0 109.654 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.45 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.6 tmt? -59.93 -48.24 82.51 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.354 -0.841 . . . . 0.0 112.317 -176.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.74 -40.01 84.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.471 -1.393 . . . . 0.0 110.766 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 25.0 mp0 -89.51 -16.9 29.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.796 -1.19 . . . . 0.0 110.494 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.2 tp -78.73 -18.27 54.52 Favored 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' A' ' 64' ' ' ASN . 11.4 m-20 -91.27 40.32 1.03 Allowed 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 174.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 61' ' ' LEU . 83.0 tt0 -39.11 -19.74 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 112.167 -2.288 . . . . 0.0 110.505 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 62' ' ' ASP . 96.9 m-20 -87.59 -5.35 58.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.669 -1.269 . . . . 0.0 108.669 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 84.24 33.15 21.09 Favored Glycine 0 N--CA 1.482 1.718 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.637 ' C ' ' H ' ' A' ' 68' ' ' GLU . 65.7 m-20 -106.31 115.94 31.08 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.74 9.02 0.46 Allowed Glycine 0 C--N 1.281 -2.495 0 C-N-CA 117.642 -2.218 . . . . 0.0 109.035 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.637 ' H ' ' C ' ' A' ' 66' ' ' ASP . 36.8 mp0 -120.07 139.98 51.71 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.05 130.01 51.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 122.209 1.004 . . . . 0.0 111.339 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -79.92 162.39 25.0 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 47.0 p90 -60.02 -39.35 85.57 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.098 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.465 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 61.1 tt0 -66.42 -40.0 89.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 0.0 110.281 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.39 -40.12 74.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.712 -1.242 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -70.49 -39.68 74.05 Favored 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.252 -0.905 . . . . 0.0 111.797 -178.226 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 10.5 p -69.83 -33.62 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.254 -0.904 . . . . 0.0 111.004 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.3 t -68.93 -59.43 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.908 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.71 -50.71 48.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.872 -1.143 . . . . 0.0 112.355 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -60.1 -39.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.844 -1.16 . . . . 0.0 110.897 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.63 27.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.4 mt -63.84 -25.87 68.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.407 -0.808 . . . . 0.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.471 ' CG2' ' SD ' ' B' ' 8' ' ' MET . 86.9 m -63.04 -55.34 26.44 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.598 -0.689 . . . . 0.0 110.932 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -80.45 -37.87 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.009 -1.057 . . . . 0.0 110.824 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' ' 87' ' ' ASN . . . -59.93 -39.78 86.69 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.435 0.636 . . . . 0.0 110.307 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 91.3 m -70.31 -39.97 74.49 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.1 -50.06 75.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.14 -0.975 . . . . 0.0 111.763 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 20.3 p-10 -71.42 -33.72 69.67 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.93 -1.106 . . . . 0.0 110.449 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 90' ' ' TRP . 66.9 t80 -60.03 -39.97 87.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.08 -1.012 . . . . 0.0 110.079 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.45 94.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.153 -0.967 . . . . 0.0 108.794 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TRP . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' PHE . 86.5 t90 -68.75 -33.92 74.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.604 -0.685 . . . . 0.0 109.861 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.583 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 8.4 pm0 -64.15 -0.82 1.3 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 110.655 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -79.13 4.56 14.34 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.038 -1.039 . . . . 0.0 109.0 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.639 -179.769 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.298 2.479 . . . . 0.0 119.298 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -109.27 -2.2 18.07 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.328 -1.101 . . . . 0.0 109.31 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' B' ' 6' ' ' THR . 67.7 mm-40 -63.45 -57.64 9.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.971 -1.08 . . . . 0.0 111.163 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.425 ' CD1' HD23 ' A' ' 11' ' ' LEU . 19.0 tp -59.99 -34.31 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.64 -44.78 93.39 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.96 0.886 . . . . 0.0 108.96 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.3 p -67.34 -28.99 68.43 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.468 -0.77 . . . . 0.0 109.233 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -57.12 -46.51 82.58 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.36 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 8' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 82' ' ' THR . 28.0 ttt -60.09 -39.74 87.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.97 -40.07 94.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.369 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.5 p -67.93 -44.63 76.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.246 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 4' ' ' LEU . 87.6 mt -59.95 -40.08 87.75 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.266 -0.896 . . . . 0.0 110.41 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.56 -34.42 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.441 -0.787 . . . . 0.0 112.134 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 68.4 m-20 -62.13 -39.94 94.25 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 120.174 -1.579 . . . . 0.0 108.913 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.425 HG23 ' N ' ' B' ' 15' ' ' PHE . 24.0 m -78.88 -37.59 20.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.133 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' N ' HG23 ' B' ' 14' ' ' VAL . 64.9 t80 -60.0 -49.65 76.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.945 . . . . 0.0 110.608 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -76.54 -24.53 53.64 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.69 . . . . 0.0 111.62 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.94 1.3 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.422 -1.424 . . . . 0.0 110.863 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -60.06 -39.92 87.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.63 -1.293 . . . . 0.0 110.143 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' HD21 ' B' ' 28' ' ' LEU . 18.7 m -66.12 -7.97 20.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.498 -0.751 . . . . 0.0 110.987 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.01 15.29 60.76 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -76.05 0.48 Allowed 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 22' ' ' GLU . . . . . 0.428 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 85.7 tt0 -127.84 70.91 1.34 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.24 -168.57 25.39 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -86.91 156.07 19.98 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -51.65 -35.76 43.53 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.717 -1.193 . . . . 0.0 108.847 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -119.81 17.7 12.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.937 -1.102 . . . . 0.0 113.955 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -141.46 148.16 39.04 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 119.871 -1.768 . . . . 0.0 110.131 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LEU . . . . . 0.475 HD21 ' OG ' ' B' ' 19' ' ' SER . 1.7 mm? -96.28 164.72 12.54 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.989 0.899 . . . . 0.0 110.661 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 95.6 p -127.04 160.61 30.61 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -49.69 -40.32 39.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.78 -1.2 . . . . 0.0 110.346 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.419 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 19.1 tptm -71.1 -29.98 65.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.044 -1.035 . . . . 0.0 111.254 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.489 ' HB2' ' H ' ' B' ' 29' ' ' SER . 94.1 mt-10 -77.4 -34.94 54.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.636 -1.29 . . . . 0.0 108.851 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.47 -43.63 93.6 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.686 -0.634 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.47 -42.16 92.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.213 -0.929 . . . . 0.0 112.545 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 12.2 p-10 -75.49 -27.49 58.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.579 -1.326 . . . . 0.0 109.542 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.03 -40.0 94.2 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.541 -0.724 . . . . 0.0 112.163 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -86.12 -35.96 19.88 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.615 -1.303 . . . . 0.0 113.17 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 6.7 pt20 -68.27 -37.11 80.38 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.543 -1.348 . . . . 0.0 110.57 -177.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -72.48 -49.97 29.31 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.629 -0.669 . . . . 0.0 112.28 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -86.05 -47.68 9.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.058 -1.027 . . . . 0.0 110.91 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -105.53 70.78 0.89 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -80.06 -23.34 41.44 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -105.75 3.87 29.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.91 -1.119 . . . . 0.0 111.927 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.45 -66.5 0.95 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.995 -1.066 . . . . 0.0 109.929 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.6 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.5 mm? -83.7 134.45 34.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.142 -0.974 . . . . 0.0 108.707 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -115.46 150.01 37.16 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.709 ' H ' ' NZ ' ' B' ' 49' ' ' LYS . 2.8 m -151.54 -36.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 48' ' ' GLN . . . . . 0.64 ' H ' ' NZ ' ' B' ' 49' ' ' LYS . 39.6 mt-30 -77.86 -51.59 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.787 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.709 ' NZ ' ' H ' ' B' ' 47' ' ' VAL . 0.0 OUTLIER -67.81 -40.1 83.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.726 -1.234 . . . . 0.0 109.851 -179.196 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -99.95 94.58 6.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.181 -0.95 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -36.79 74.96 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.35 -39.97 89.05 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.85 81.04 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.381 -0.824 . . . . 0.0 110.97 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.04 -54.33 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 111.786 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 61.5 t0 -59.98 -40.07 87.83 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.512 -1.367 . . . . 0.0 110.745 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.447 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 5.9 mptp? -70.25 -36.58 74.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 0.0 111.779 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.4 pp -82.05 -53.4 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 119.969 -1.707 . . . . 0.0 109.698 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 58' ' ' MET . . . . . 0.468 ' N ' HD12 ' B' ' 57' ' ' ILE . 1.6 tmt? -60.06 -48.16 82.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.251 -0.906 . . . . 0.0 112.255 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -67.63 -39.99 84.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.458 -1.401 . . . . 0.0 110.767 -178.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 60' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 25.2 mp0 -89.6 -16.91 29.51 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.708 -1.245 . . . . 0.0 110.485 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' B' ' 57' ' ' ILE . 69.4 tp -78.6 -18.45 54.55 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 105.901 -1.888 . . . . 0.0 105.901 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 64' ' ' ASN . 11.3 m-20 -91.06 40.0 1.01 Allowed 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 174.715 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' B' ' 61' ' ' LEU . 80.2 tt0 -38.9 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 62' ' ' ASP . 96.6 m-20 -87.53 -5.53 58.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.62 -1.3 . . . . 0.0 108.724 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.38 31.08 23.15 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.706 -1.357 . . . . 0.0 109.706 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.62 ' C ' ' H ' ' B' ' 68' ' ' GLU . 66.4 m-20 -104.76 116.08 31.42 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.04 9.25 0.49 Allowed Glycine 0 C--N 1.281 -2.516 0 C-N-CA 117.573 -2.251 . . . . 0.0 108.865 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.62 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.8 mp0 -120.01 140.77 50.46 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.144 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.41 130.37 51.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 122.158 0.98 . . . . 0.0 111.221 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -80.08 162.39 24.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.47 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 47.0 p90 -59.96 -39.42 85.53 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.393 -0.817 . . . . 0.0 110.07 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.47 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 61.3 tt0 -66.37 -40.07 89.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.878 -1.139 . . . . 0.0 110.273 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.43 -40.04 74.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.569 -1.332 . . . . 0.0 111.082 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 74' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -70.35 -39.99 74.34 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.234 -0.916 . . . . 0.0 111.816 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 75' ' ' VAL . . . . . 0.449 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 9.6 p -69.9 -33.11 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.188 -0.945 . . . . 0.0 111.019 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.13 -59.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.236 -0.915 . . . . 0.0 110.968 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.99 -49.76 54.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.953 -1.092 . . . . 0.0 112.488 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.68 -40.0 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.88 -1.138 . . . . 0.0 110.736 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.59 -24.41 60.07 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -58.41 6.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.049 -1.032 . . . . 0.0 108.253 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.4 -26.74 65.4 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.584 0.707 . . . . 0.0 109.759 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.454 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 87.2 m -63.21 -55.29 26.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.437 -0.79 . . . . 0.0 111.081 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.417 ' H ' HG23 ' B' ' 83' ' ' VAL . 2.2 t -80.48 -37.72 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.083 -1.011 . . . . 0.0 110.793 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 84' ' ' ALA . . . . . 0.44 ' O ' ' OD1' ' B' ' 87' ' ' ASN . . . -60.06 -39.52 86.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.412 0.625 . . . . 0.0 110.236 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 77.1 m -70.5 -39.97 73.82 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.21 -50.05 75.21 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.192 -0.942 . . . . 0.0 111.773 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' B' ' 84' ' ' ALA . 20.2 p-10 -71.36 -33.83 69.92 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.937 -1.102 . . . . 0.0 110.425 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 88' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' B' ' 90' ' ' TRP . 64.7 t80 -59.96 -39.99 87.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.12 -0.987 . . . . 0.0 110.194 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.34 94.86 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.065 -1.022 . . . . 0.0 108.875 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 90' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' B' ' 88' ' ' PHE . 86.3 t90 -68.67 -34.03 75.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.605 -0.684 . . . . 0.0 109.859 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 91' ' ' GLU . . . . . 0.592 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 8.5 pm0 -63.99 -0.89 1.25 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 110.636 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -79.12 4.65 14.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.885 -1.134 . . . . 0.0 109.011 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 118.047 -0.977 . . . . 0.0 109.612 -179.769 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 1' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' C' ' 5' ' ' TRP . 66.3 mttm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -59.98 -43.55 95.07 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.01 78.12 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 71.6 t -70.58 -29.67 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.676 -0.64 . . . . 0.0 109.902 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 5' ' ' TRP . . . . . 0.47 ' NE1' HD11 ' C' ' 9' ' ' LEU . 1.9 t-105 -56.26 -42.75 77.92 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.305 -0.872 . . . . 0.0 110.229 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -59.96 -42.92 95.12 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.947 -1.096 . . . . 0.0 110.101 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 7' ' ' LYS . . . . . 0.468 ' HZ1' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -60.3 -45.9 91.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.196 -0.94 . . . . 0.0 110.846 -179.746 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 tp -68.98 -56.73 6.89 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.977 -1.077 . . . . 0.0 111.17 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 9' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' C' ' 5' ' ' TRP . 14.5 mt -61.36 -39.53 90.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.071 . . . . 0.0 110.107 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 37.9 t -60.03 -58.79 7.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.817 -1.177 . . . . 0.0 110.206 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.97 -39.99 72.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.968 -1.082 . . . . 0.0 109.924 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.563 179.478 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 66.7 mttm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -60.04 -43.9 95.02 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.76 77.07 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.2 -29.59 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.454 -0.779 . . . . 0.0 109.804 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 5' ' ' TRP . . . . . 0.462 ' NE1' HD11 ' D' ' 9' ' ' LEU . 1.9 t-105 -56.54 -42.78 79.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.266 -0.896 . . . . 0.0 110.044 -178.174 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -60.09 -42.62 95.03 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.884 -1.135 . . . . 0.0 110.018 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -45.36 94.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 110.996 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 tp -69.43 -56.68 6.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 111.198 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 9' ' ' LEU . . . . . 0.462 HD11 ' NE1' ' D' ' 5' ' ' TRP . 14.1 mt -60.89 -39.75 90.47 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.071 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 34.3 t -60.06 -59.22 5.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.166 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.58 -40.03 73.53 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.923 -1.111 . . . . 0.0 109.829 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.689 179.646 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.913 0 N-CA-C 119.67 2.628 . . . . 0.0 119.67 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -105.79 -10.76 16.55 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.434 -1.039 . . . . 0.0 108.69 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 6' ' ' THR . 59.1 mp0 -64.43 -50.92 65.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LEU . . . . . 0.652 ' HB2' HG21 ' B' ' 14' ' ' VAL . 12.5 tp -60.08 -40.02 88.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.08 -47.79 74.41 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.025 0.917 . . . . 0.0 108.846 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.3 p -65.98 -30.13 70.63 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.521 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -59.95 -46.72 88.5 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.089 -178.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt -60.27 -43.65 96.01 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.709 -1.244 . . . . 0.0 109.785 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.64 -40.18 96.23 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.483 -0.761 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.513 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 14.3 p -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.578 -0.701 . . . . 0.0 109.934 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD23 HD13 ' B' ' 4' ' ' LEU . 56.5 mt -58.37 -35.43 71.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.368 -0.832 . . . . 0.0 110.575 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ILE . . . . . 0.484 HD13 ' N ' ' A' ' 12' ' ' ILE . 3.2 mm -79.98 -29.35 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 120.348 -1.47 . . . . 0.0 111.342 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.3 t-20 -64.29 -40.49 96.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.027 -1.671 . . . . 0.0 109.635 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' B' ' 4' ' ' LEU . 2.0 m -81.19 -38.13 16.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.581 -0.699 . . . . 0.0 111.013 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.86 -50.18 74.78 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.885 -1.134 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.524 -0.735 . . . . 0.0 110.744 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.35 -64.72 1.12 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.706 -1.246 . . . . 0.0 111.048 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -65.41 -40.08 92.94 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.597 -1.314 . . . . 0.0 111.431 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 5.6 m -68.4 -14.4 62.97 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.282 -0.886 . . . . 0.0 111.141 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.46 14.09 56.66 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -84.53 -66.24 0.92 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.548 -1.56 . . . . 0.0 107.624 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -120.23 6.84 10.71 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.5 178.33 51.91 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -91.22 177.52 6.23 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -1.152 . . . . 0.0 108.062 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' C ' ' CG ' ' A' ' 26' ' ' TYR . 67.4 mttm -64.95 95.61 0.16 Allowed 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.717 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' TYR . . . . . 0.455 ' CG ' ' C ' ' A' ' 25' ' ' LYS . 4.6 m-85 75.2 29.94 0.9 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -133.34 138.71 46.47 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.266 -1.521 . . . . 0.0 107.032 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 7.4 tp -95.0 157.42 15.9 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' SER . . . . . 0.535 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 45.9 t -136.54 165.77 25.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.467 -0.77 . . . . 0.0 109.865 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -47.72 -47.91 29.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.308 -0.87 . . . . 0.0 111.66 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' H ' ' HG2' ' A' ' 31' ' ' LYS . 24.0 pttm -70.86 -26.02 63.07 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.414 -1.429 . . . . 0.0 111.629 -178.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . 0.535 ' HB2' ' H ' ' A' ' 29' ' ' SER . 33.1 mt-10 -74.61 -39.03 62.41 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.936 -1.102 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.08 -36.67 58.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 111.0 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.15 -41.32 92.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.625 -1.297 . . . . 0.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 54.1 t0 -79.39 -31.91 42.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.269 -0.894 . . . . 0.0 110.97 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 47.4 tp -66.21 -39.96 89.99 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.428 -0.795 . . . . 0.0 112.944 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 38' ' ' GLN . 2.7 pp -86.05 -40.11 16.1 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.568 -1.333 . . . . 0.0 113.166 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.451 ' N ' HD12 ' A' ' 37' ' ' LEU . 13.3 pt20 -64.81 -40.98 96.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.425 -1.422 . . . . 0.0 110.823 -177.598 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -70.74 -40.38 72.77 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.294 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 26.7 mp0 -95.02 -15.41 23.51 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.028 -1.045 . . . . 0.0 111.482 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.81 75.55 1.58 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.126 -0.984 . . . . 0.0 108.801 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 43' ' ' SER . 58.3 p -85.25 141.58 30.01 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.35 0.595 . . . . 0.0 109.395 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.7 OUTLIER 73.17 -2.77 2.63 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.466 -0.771 . . . . 0.0 110.929 179.016 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PHE . . . . . 0.406 ' C ' HD22 ' A' ' 45' ' ' LEU . 94.6 m-85 -109.14 -67.09 1.0 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.4 mm? -97.93 140.2 32.63 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' ' 47' ' ' VAL . 40.3 m-20 -124.87 153.3 42.81 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 109.098 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.3 m -158.21 -35.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -86.8 -20.96 26.8 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.315 -0.865 . . . . 0.0 110.198 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.61 -38.93 81.0 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -128.64 118.84 23.61 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.701 -0.624 . . . . 0.0 110.207 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -26.69 64.42 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' HB3' ' HZ1' ' C' ' 7' ' ' LYS . 85.1 m-20 -68.41 -26.12 65.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 108.779 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.11 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.114 -0.991 . . . . 0.0 110.412 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 10.5 t -69.65 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 112.331 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 20.8 p-10 -63.74 -40.06 95.82 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 120.7 -1.25 . . . . 0.0 111.05 -177.304 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 68.3 mttm -70.02 -38.84 76.01 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.198 -0.939 . . . . 0.0 111.655 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 61' ' ' LEU . 80.2 mt -82.04 -55.61 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.149 -0.969 . . . . 0.0 110.496 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' MET . . . . . 0.408 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.1 tmt? -60.39 -43.99 96.09 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.731 -0.606 . . . . 0.0 112.029 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.42 -36.37 78.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.401 -1.437 . . . . 0.0 109.136 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.99 -16.29 36.19 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.428 -0.795 . . . . 0.0 109.501 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.7 tp -85.07 -18.03 35.58 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 65' ' ' GLY . 6.9 m-20 -91.81 40.57 1.04 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.266 -2.864 . . . . 0.0 103.266 173.775 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' A' ' 61' ' ' LEU . 11.5 pt-20 -36.87 -20.59 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 111.705 -2.498 . . . . 0.0 110.939 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 62' ' ' ASP . 97.5 m-20 -85.02 5.88 27.55 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.03 35.95 78.97 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 42.7 p-10 -101.73 -16.42 16.66 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.079 -1.247 . . . . 0.0 110.595 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.9 -13.63 13.03 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 99.4 mt-10 -107.86 133.64 51.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.13 139.71 21.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 O-C-N 121.461 -0.774 . . . . 0.0 110.581 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' GLN . 91.5 m-20 -97.62 122.73 41.03 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.365 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.4 p90 -27.43 -37.18 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLN . . . . . 0.555 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.1 tt0 -60.17 -42.08 94.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.87 -1.144 . . . . 0.0 109.813 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.5 mt-10 -66.51 -40.11 89.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.054 -1.029 . . . . 0.0 109.79 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.12 -40.14 88.67 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.37 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -71.53 -36.27 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.952 -1.092 . . . . 0.0 111.514 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.03 -58.46 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.061 . . . . 0.0 111.233 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.06 -44.26 69.52 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.064 -1.023 . . . . 0.0 113.017 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.07 -39.79 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 120.564 -1.335 . . . . 0.0 110.616 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.91 -26.67 49.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.109 -0.994 . . . . 0.0 110.227 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.07 67.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.768 -1.207 . . . . 0.0 109.137 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 24.6 mt -93.15 -25.12 18.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.587 -0.695 . . . . 0.0 109.977 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -69.7 -53.03 20.49 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.016 -178.561 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' N ' ' CG2' ' A' ' 82' ' ' THR . 2.2 t -73.86 -39.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.8 -1.187 . . . . 0.0 109.611 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.14 76.32 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.465 -0.772 . . . . 0.0 109.593 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.8 m -63.41 -40.02 96.06 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.167 -0.958 . . . . 0.0 109.383 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -60.9 -40.04 91.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.34 -0.85 . . . . 0.0 109.379 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.19 -42.91 96.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.277 -0.889 . . . . 0.0 110.571 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -73.95 -23.45 59.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.987 -1.071 . . . . 0.0 109.975 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 51.4 78.24 0.12 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.994 -1.066 . . . . 0.0 109.683 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -58.29 -20.18 40.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.132 -0.98 . . . . 0.0 109.274 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -68.3 -6.42 23.94 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -78.76 -13.19 59.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.415 -0.803 . . . . 0.0 108.992 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.2 p . . . . . 0 C--N 1.301 -1.517 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.551 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.82 0 N-CA-C 119.397 2.519 . . . . 0.0 119.397 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -105.56 -11.09 16.51 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.593 -0.945 . . . . 0.0 108.737 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' B' ' 6' ' ' THR . 58.9 mp0 -64.25 -50.86 66.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 4' ' ' LEU . . . . . 0.625 ' HB2' HG21 ' A' ' 14' ' ' VAL . 12.6 tp -60.64 -39.51 88.54 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.566 -0.709 . . . . 0.0 109.827 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.53 -47.74 75.8 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 122.172 0.987 . . . . 0.0 108.584 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.0 p -66.17 -29.56 69.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.75 -0.594 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ALA . . . . . 0.513 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -60.21 -45.83 91.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.344 -0.847 . . . . 0.0 109.895 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.13 -43.84 95.39 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.069 -1.019 . . . . 0.0 109.735 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.93 -40.11 95.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 110.579 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 12.7 p -61.63 -44.59 96.7 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 109.854 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 11' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 4' ' ' LEU . 74.6 mt -57.7 -35.88 71.23 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.585 -0.697 . . . . 0.0 110.394 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' ILE . . . . . 0.5 ' N ' HD13 ' B' ' 12' ' ' ILE . 3.0 mm -79.61 -30.53 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 O-C-N 120.31 -1.494 . . . . 0.0 111.505 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.1 t-20 -63.11 -40.23 97.02 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.122 -1.611 . . . . 0.0 109.655 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' ' 4' ' ' LEU . 2.4 m -81.96 -37.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.46 -0.775 . . . . 0.0 110.896 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 110.852 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -72.46 -22.39 61.08 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.588 -0.695 . . . . 0.0 110.559 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -65.0 1.06 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.671 -1.268 . . . . 0.0 111.062 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -65.15 -39.9 93.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.655 -1.278 . . . . 0.0 111.424 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 m -68.55 -14.35 62.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -0.915 . . . . 0.0 111.013 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.36 13.54 56.93 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -84.23 -65.92 0.95 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.543 -1.563 . . . . 0.0 107.679 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -120.62 7.02 10.51 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.56 178.7 51.64 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.126 -1.189 . . . . 0.0 110.126 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -91.26 177.9 6.12 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.226 -1.161 . . . . 0.0 108.013 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' C ' ' CG ' ' B' ' 26' ' ' TYR . 68.0 mttm -65.04 95.4 0.16 Allowed 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.074 -1.016 . . . . 0.0 109.639 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' CG ' ' C ' ' B' ' 25' ' ' LYS . 4.6 m-85 74.95 30.04 0.95 Allowed 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -133.3 138.51 46.44 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.257 -1.527 . . . . 0.0 107.073 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -94.98 157.68 15.79 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' SER . . . . . 0.522 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 42.0 t -137.13 165.05 26.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.416 -0.802 . . . . 0.0 109.926 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -46.65 -48.32 19.98 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.287 -0.883 . . . . 0.0 111.757 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' B' ' 31' ' ' LYS . 23.8 pttm -71.22 -24.97 62.3 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.368 -1.458 . . . . 0.0 111.746 -178.309 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 32' ' ' GLU . . . . . 0.522 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.6 mt-10 -75.18 -38.89 60.67 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -75.81 -36.98 59.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.424 -0.798 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.755 -1.216 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.3 t0 -79.78 -31.67 40.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.291 -0.88 . . . . 0.0 110.789 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.473 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.7 tp -66.27 -40.0 89.81 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 112.912 -177.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 38' ' ' GLN . 2.7 pp -86.05 -40.05 16.16 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.413 -1.429 . . . . 0.0 113.12 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLN . . . . . 0.449 ' N ' HD12 ' B' ' 37' ' ' LEU . 13.2 pt20 -64.77 -40.94 96.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.605 -1.31 . . . . 0.0 110.724 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -70.79 -40.04 72.8 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.541 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 26.2 mp0 -95.29 -15.65 23.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.074 -1.016 . . . . 0.0 111.399 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -134.77 75.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.949 -1.095 . . . . 0.0 108.983 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 42' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 43' ' ' SER . 52.3 p -85.51 141.4 29.92 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.39 0.614 . . . . 0.0 109.524 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.7 OUTLIER 73.38 -2.86 2.62 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.66 -0.65 . . . . 0.0 110.777 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 44' ' ' PHE . . . . . 0.409 ' C ' HD22 ' B' ' 45' ' ' LEU . 95.8 m-85 -109.05 -67.43 0.98 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 45' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -97.77 140.08 32.69 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' ASP . . . . . 0.465 ' O ' HG13 ' B' ' 47' ' ' VAL . 41.5 m-20 -124.55 153.7 41.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.874 -1.141 . . . . 0.0 109.27 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 47' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 15.3 m -158.47 -36.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -86.88 -20.53 27.29 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.76 -39.13 80.41 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -128.83 119.4 24.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.503 -0.748 . . . . 0.0 109.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.25 64.08 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.78 -25.71 64.84 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 108.911 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -38.63 66.4 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.267 -0.896 . . . . 0.0 110.726 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 54' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 11.5 t -70.75 -55.57 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.895 . . . . 0.0 112.02 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 55' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 20.4 p-10 -63.9 -40.05 95.6 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 120.805 -1.184 . . . . 0.0 111.09 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 56' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 68.7 mttm -69.94 -38.62 76.22 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 111.836 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 57' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' B' ' 61' ' ' LEU . 85.3 mt -82.21 -55.37 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.195 -0.94 . . . . 0.0 110.399 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -45.06 94.05 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.693 -0.629 . . . . 0.0 112.102 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.9 -36.22 79.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.647 -1.283 . . . . 0.0 109.087 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -87.28 -16.2 35.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.372 -0.83 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 61' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' B' ' 63' ' ' GLU . 52.3 tp -84.93 -18.44 34.62 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 62' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' B' ' 65' ' ' GLY . 7.9 m-20 -91.55 40.72 1.04 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 103.38 -2.822 . . . . 0.0 103.38 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 63' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' B' ' 61' ' ' LEU . 11.5 pt-20 -37.0 -20.55 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 111.688 -2.505 . . . . 0.0 110.907 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 64' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 62' ' ' ASP . 97.7 m-20 -84.83 5.23 29.55 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 65' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 58.75 34.92 79.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 66' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 43.0 p-10 -100.7 -16.64 17.3 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.008 -1.289 . . . . 0.0 110.402 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.98 -12.54 11.23 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 68' ' ' GLU . . . . . 0.414 ' O ' ' OD2' ' B' ' 66' ' ' ASP . 99.4 mt-10 -107.52 135.86 48.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 69' ' ' VAL . . . . . 0.4 HG22 ' OD1' ' B' ' 62' ' ' ASP . 71.1 t -102.24 140.14 21.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 O-C-N 121.249 -0.907 . . . . 0.0 110.381 -177.67 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.4 m-20 -97.88 122.79 41.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.525 -0.734 . . . . 0.0 109.332 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.8 p90 -27.21 -37.45 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 72' ' ' GLN . . . . . 0.55 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.3 tt0 -60.04 -41.88 93.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.912 -1.118 . . . . 0.0 110.013 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 73' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.6 mt-10 -66.79 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.965 . . . . 0.0 109.698 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.58 -36.4 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.006 -1.059 . . . . 0.0 111.352 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.94 -58.47 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.877 -1.139 . . . . 0.0 111.27 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 tt -70.01 -44.47 69.25 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.896 -1.127 . . . . 0.0 112.878 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.33 -39.35 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.612 -1.305 . . . . 0.0 110.579 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.15 -26.69 47.89 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.044 -1.035 . . . . 0.0 110.227 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -21.71 66.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.744 -1.223 . . . . 0.0 109.702 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 81' ' ' LEU . . . . . 0.484 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 23.6 mt -96.16 -25.05 15.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.419 -0.8 . . . . 0.0 109.701 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 82' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -69.76 -52.66 23.38 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.91 -178.33 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 83' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 82' ' ' THR . 2.2 t -74.41 -39.14 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.812 -1.18 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.73 75.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.21 -0.931 . . . . 0.0 109.738 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 85' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 56.1 m -63.19 -39.82 95.74 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.463 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -61.12 -40.09 92.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.398 -0.814 . . . . 0.0 109.595 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -59.91 -43.52 94.83 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.528 -0.732 . . . . 0.0 110.528 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -73.79 -23.46 59.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.972 -1.08 . . . . 0.0 109.996 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 51.16 78.62 0.11 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.128 -0.982 . . . . 0.0 109.747 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -58.48 -20.06 42.23 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.006 -1.059 . . . . 0.0 109.333 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -68.79 -6.25 25.56 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -78.69 -13.22 59.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.302 -1.49 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.531 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 80.0 t60 . . . . . 0 N--CA 1.49 1.549 0 CA-C-O 121.274 0.559 . . . . 0.0 109.578 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.61 -50.17 74.93 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 110.271 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.462 HD22 HD11 ' A' ' 57' ' ' ILE . 55.9 tp -61.17 -49.98 75.03 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 110.973 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.1 mp -68.66 -39.96 80.42 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.155 -0.966 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 84.3 p . . . . . 0 N--CA 1.489 1.48 0 O-C-N 120.99 -1.069 . . . . 0.0 109.075 179.427 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 . . . . . 0 N--CA 1.49 1.56 0 CA-C-O 121.265 0.555 . . . . 0.0 109.58 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -59.84 -49.98 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.184 -0.947 . . . . 0.0 110.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.427 HD22 HD11 ' B' ' 57' ' ' ILE . 54.9 tp -61.3 -49.99 74.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.097 -1.002 . . . . 0.0 110.887 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.1 mp -68.6 -39.98 80.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.187 -0.945 . . . . 0.0 109.561 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 91.6 p . . . . . 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.106 179.379 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 108.26 -1.015 . . . . 0.0 108.26 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.556 ' OE2' ' ND2' ' B' ' 13' ' ' ASN . 96.9 mt-10 -64.87 -54.99 22.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.758 -0.589 . . . . 0.0 111.055 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.441 ' CG ' HG11 ' B' ' 14' ' ' VAL . 78.5 mt -58.0 -39.66 78.82 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.873 -1.142 . . . . 0.0 111.019 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -53.72 -44.42 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.715 -1.24 . . . . 0.0 108.592 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.5 p -70.58 -34.88 72.68 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.403 -0.811 . . . . 0.0 110.115 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.36 -52.7 60.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.347 -0.846 . . . . 0.0 110.44 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 ttt -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.768 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.41 -40.02 92.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.303 -0.873 . . . . 0.0 110.507 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 4.0 p -69.43 -46.1 67.58 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.812 0.815 . . . . 0.0 110.725 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.14 -49.68 76.67 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.762 -0.586 . . . . 0.0 112.305 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.2 mt -76.37 -39.81 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 0.0 112.438 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.553 ' ND2' ' OE2' ' B' ' 3' ' ' GLU . 34.9 t30 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 119.984 -1.697 . . . . 0.0 109.895 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.431 HG11 ' CG ' ' B' ' 4' ' ' LEU . 9.8 p -80.42 -29.92 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.366 -0.834 . . . . 0.0 110.318 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.03 -53.35 58.9 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.257 -0.902 . . . . 0.0 111.361 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -80.34 -20.83 43.29 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.972 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.38 3.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.574 -1.329 . . . . 0.0 110.696 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -80.38 -25.57 39.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.681 -1.262 . . . . 0.0 111.261 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' HD21 ' A' ' 28' ' ' LEU . 20.4 m -60.38 -22.99 63.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.661 -1.274 . . . . 0.0 110.818 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.21 28.02 10.15 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.7 tptt . . . . . 0 C--N 1.304 -1.376 0 O-C-N 121.02 -1.282 . . . . 0.0 109.151 -179.454 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.7 p90 . . . . . 0 N--CA 1.503 2.206 0 N-CA-C 112.669 0.618 . . . . 0.0 112.669 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 141.53 35.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 175.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -98.05 154.36 17.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.762 -1.211 . . . . 0.0 110.651 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.456 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 70.9 m -127.59 160.97 29.95 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' SER . 34.4 ttmt -47.95 -41.16 24.28 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.213 -1.395 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -70.88 -32.6 69.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.117 -0.989 . . . . 0.0 112.193 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.3 mt-10 -76.47 -38.26 55.63 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.481 -1.387 . . . . 0.0 108.857 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.0 -50.02 75.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.723 -0.611 . . . . 0.0 112.36 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -68.99 -30.0 68.31 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.815 -1.178 . . . . 0.0 112.26 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -76.25 -35.18 59.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.621 -1.299 . . . . 0.0 109.346 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.92 -36.3 83.0 Favored 'General case' 0 C--N 1.287 -2.122 0 O-C-N 120.881 -1.137 . . . . 0.0 110.593 -178.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.36 -39.93 27.58 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.716 -1.24 . . . . 0.0 112.162 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -68.98 -18.3 64.04 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.647 -1.283 . . . . 0.0 108.192 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.1 m -67.74 -70.23 0.27 Allowed 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.814 -0.554 . . . . 0.0 111.064 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 44.2 tp10 -107.78 -31.86 7.87 Favored 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 120.325 1.42 . . . . 0.0 113.046 -177.524 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -92.84 66.04 4.24 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.209 -1.557 . . . . 0.0 108.92 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 44' ' ' PHE . 95.7 p -84.01 144.17 29.29 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.024 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.9 p 68.92 -7.0 0.8 Allowed 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.097 -1.002 . . . . 0.0 110.571 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.457 ' C ' HD22 ' A' ' 45' ' ' LEU . 97.4 m-85 -103.72 -61.19 1.46 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.459 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.7 mm? -105.82 136.03 46.19 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -118.9 152.17 36.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.671 -1.268 . . . . 0.0 109.049 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 48' ' ' GLN . 34.0 m -159.36 -34.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.492 ' N ' HG23 ' A' ' 47' ' ' VAL . 12.7 pt20 -75.85 -55.44 5.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.188 -0.945 . . . . 0.0 111.981 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -70.05 -32.61 70.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.704 -1.248 . . . . 0.0 110.575 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 14.9 p-10 -99.78 94.66 6.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.101 -0.999 . . . . 0.0 109.505 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.95 75.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.48 -0.762 . . . . 0.0 110.373 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -38.31 82.19 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.113 -0.992 . . . . 0.0 108.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.15 90.14 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.641 -0.662 . . . . 0.0 111.277 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 60.1 t -69.59 -55.68 14.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.912 -1.117 . . . . 0.0 112.189 -177.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -65.84 -40.43 91.75 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.314 -1.491 . . . . 0.0 111.133 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -70.16 -40.07 74.95 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.082 -1.011 . . . . 0.0 111.723 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.539 ' O ' ' N ' ' A' ' 61' ' ' LEU . 91.3 mt -80.96 -52.32 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.062 -1.024 . . . . 0.0 110.916 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -62.4 -44.43 96.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.654 -0.654 . . . . 0.0 111.214 -177.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -69.41 -35.84 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.917 -1.114 . . . . 0.0 109.831 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.89 -18.65 25.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.122 -0.986 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.575 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.2 tp -75.87 -24.76 55.74 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.0 m-20 -86.97 43.51 1.1 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 175.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.575 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.3 tt0 -38.34 -19.13 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 111.878 -2.419 . . . . 0.0 110.639 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 7.9 m120 -88.43 -4.82 58.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.59 -1.319 . . . . 0.0 108.627 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 83.18 36.62 14.34 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' A' ' 68' ' ' GLU . 16.2 t0 -109.87 110.2 21.09 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.19 8.36 0.1 OUTLIER Glycine 0 N--CA 1.495 2.616 0 O-C-N 119.067 -2.271 . . . . 0.0 110.198 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.626 ' H ' ' C ' ' A' ' 66' ' ' ASP . 96.9 mt-10 -120.35 143.5 48.37 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.99 136.54 38.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 122.077 0.941 . . . . 0.0 110.975 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.07 163.05 18.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.386 -0.821 . . . . 0.0 108.866 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 53.9 p90 -59.91 -40.05 87.5 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 110.303 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -63.0 -39.95 96.31 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.067 -1.02 . . . . 0.0 111.153 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -68.92 -39.97 79.34 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.477 -1.389 . . . . 0.0 109.769 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.77 -40.04 94.62 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.75 -38.41 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.967 -1.083 . . . . 0.0 111.548 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.38 -58.83 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 112.114 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -39.99 72.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.692 -1.255 . . . . 0.0 112.348 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.0 t -68.87 -38.72 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.811 -1.181 . . . . 0.0 109.961 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.71 -24.75 62.71 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.443 -0.786 . . . . 0.0 109.278 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 -53.04 57.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.965 -1.085 . . . . 0.0 108.62 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -65.09 -25.1 67.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.462 -0.774 . . . . 0.0 109.652 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 88.2 m -64.52 -55.53 19.98 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.69 -177.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 83' ' ' VAL . 1.4 t -79.48 -32.56 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.989 -1.07 . . . . 0.0 110.605 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.98 -52.46 56.1 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.562 -0.711 . . . . 0.0 110.453 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.08 -39.96 87.87 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 109.922 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 21.4 m120 -60.1 -40.05 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.242 -0.911 . . . . 0.0 110.476 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.3 t30 . . . . . 0 N--CA 1.494 1.772 0 O-C-N 120.955 -1.09 . . . . 0.0 110.507 -178.728 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.499 2.016 0 N-CA-C 108.23 -1.026 . . . . 0.0 108.23 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.553 ' OE2' ' ND2' ' A' ' 13' ' ' ASN . 97.3 mt-10 -64.63 -54.78 26.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.742 -0.599 . . . . 0.0 111.011 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.431 ' CG ' HG11 ' A' ' 14' ' ' VAL . 79.2 mt -58.2 -39.7 79.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.871 -1.143 . . . . 0.0 110.906 -177.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -53.25 -45.08 68.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.686 -1.259 . . . . 0.0 108.58 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -70.48 -33.26 71.04 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.452 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -56.23 -51.77 66.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.878 . . . . 0.0 110.279 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.8 ttt -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.41 -0.806 . . . . 0.0 109.711 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.5 -40.01 93.04 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.318 -0.864 . . . . 0.0 110.435 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 3.6 p -69.35 -46.24 67.49 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.715 0.769 . . . . 0.0 110.632 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.04 -49.59 77.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.763 -0.586 . . . . 0.0 112.456 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.31 -39.97 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.126 -0.983 . . . . 0.0 112.389 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.556 ' ND2' ' OE2' ' A' ' 3' ' ' GLU . 33.9 t30 -60.08 -39.93 87.79 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.117 -1.614 . . . . 0.0 109.804 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.441 HG11 ' CG ' ' A' ' 4' ' ' LEU . 8.7 p -80.31 -30.03 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.338 -0.851 . . . . 0.0 110.344 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.04 -53.35 58.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 111.428 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.3 -20.94 43.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 122.022 -0.424 . . . . 0.0 111.972 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.25 3.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.56 -1.337 . . . . 0.0 110.695 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -80.36 -25.52 39.15 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.682 -1.261 . . . . 0.0 111.285 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.423 ' OG ' HD11 ' B' ' 28' ' ' LEU . 20.6 m -60.35 -23.05 63.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.627 -1.296 . . . . 0.0 110.824 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 28.33 9.79 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt . . . . . 0 C--N 1.304 -1.382 0 O-C-N 121.052 -1.264 . . . . 0.0 109.078 -179.622 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 p90 . . . . . 0 N--CA 1.504 2.265 0 N-CA-C 112.682 0.623 . . . . 0.0 112.682 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.406 ' C ' HD22 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -140.49 141.59 35.37 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 175.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -98.26 154.28 17.91 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.644 -1.285 . . . . 0.0 110.708 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 73.8 m -127.33 161.05 29.54 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -48.03 -40.93 24.32 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.237 -1.385 . . . . 0.0 109.998 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -71.83 -31.75 66.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.095 -1.003 . . . . 0.0 112.009 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.457 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.0 mt-10 -76.6 -38.28 55.08 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.405 -1.435 . . . . 0.0 108.865 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.95 -50.03 75.35 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.747 -0.596 . . . . 0.0 112.455 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -69.21 -29.75 67.78 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.764 -1.21 . . . . 0.0 112.289 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -76.29 -35.27 58.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.647 -1.283 . . . . 0.0 109.358 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 36' ' ' LEU . 0.7 OUTLIER -65.88 -36.22 82.83 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 120.902 -1.124 . . . . 0.0 110.666 -178.622 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.64 -39.23 27.72 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.619 -1.301 . . . . 0.0 112.174 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.61 -18.17 63.59 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.649 -1.282 . . . . 0.0 108.22 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.0 m -67.81 -70.33 0.26 Allowed 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.904 -0.497 . . . . 0.0 111.007 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 45.0 tp10 -107.56 -31.94 7.9 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.26 1.391 . . . . 0.0 113.101 -177.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.4 mt -92.85 66.22 4.26 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.15 -1.594 . . . . 0.0 109.002 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.427 ' C ' ' H ' ' B' ' 44' ' ' PHE . 96.4 p -84.01 144.45 29.11 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.993 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' B' ' 42' ' ' SER . 2.8 p 68.66 -7.28 0.74 Allowed 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.179 -0.951 . . . . 0.0 110.569 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.44 ' C ' HD22 ' B' ' 45' ' ' LEU . 96.9 m-85 -103.3 -61.46 1.41 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 2.6 mm? -105.68 136.38 45.4 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -119.02 152.05 37.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.659 -1.276 . . . . 0.0 109.014 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.511 HG23 ' N ' ' B' ' 48' ' ' GLN . 33.9 m -159.25 -34.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.511 ' N ' HG23 ' B' ' 47' ' ' VAL . 12.4 pt20 -75.85 -55.42 5.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.175 -0.953 . . . . 0.0 111.983 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -70.03 -32.7 70.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.708 -1.245 . . . . 0.0 110.566 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' B' ' 50' ' ' ASP . 14.6 p-10 -99.73 94.66 6.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.097 -1.002 . . . . 0.0 109.573 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.98 -38.17 75.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.532 -0.73 . . . . 0.0 110.399 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -37.78 80.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.108 -0.995 . . . . 0.0 108.383 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.26 82.71 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.668 -0.645 . . . . 0.0 111.785 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 62.4 t -71.46 -55.6 13.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.897 -1.127 . . . . 0.0 112.085 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.84 -40.23 91.55 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.397 -1.439 . . . . 0.0 111.116 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -40.0 74.13 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.091 -1.006 . . . . 0.0 111.677 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' LEU . 92.0 mt -80.99 -52.41 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.5 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.685 -0.634 . . . . 0.0 111.364 -177.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -69.2 -36.01 76.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.913 -1.117 . . . . 0.0 109.844 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.8 -18.63 25.91 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.987 . . . . 0.0 109.718 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' GLU . 44.0 tp -75.89 -24.8 55.68 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' B' ' 64' ' ' ASN . 15.1 m-20 -86.9 43.38 1.09 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' LEU . 84.0 tt0 -38.2 -19.24 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 112.016 -2.356 . . . . 0.0 110.6 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' B' ' 62' ' ' ASP . 7.7 m120 -88.3 -4.94 58.61 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.65 -1.281 . . . . 0.0 108.758 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 84.15 34.31 18.02 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' B' ' 68' ' ' GLU . 18.2 t0 -107.92 110.33 22.05 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.64 8.61 0.12 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 118.999 -2.313 . . . . 0.0 110.118 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.608 ' H ' ' C ' ' B' ' 66' ' ' ASP . 96.8 mt-10 -120.38 143.36 48.47 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.39 136.75 36.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 CA-C-O 122.038 0.923 . . . . 0.0 110.96 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.2 163.07 18.01 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.7 p90 -59.98 -39.99 87.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.12 -0.988 . . . . 0.0 110.248 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.535 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.5 tt0 -62.91 -40.02 96.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.081 -1.012 . . . . 0.0 111.134 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.458 -1.401 . . . . 0.0 109.767 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -64.79 -39.96 94.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.74 -38.2 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.863 -1.148 . . . . 0.0 111.584 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.54 -58.81 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.07 -1.019 . . . . 0.0 112.131 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.69 -40.05 73.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.644 -1.285 . . . . 0.0 112.26 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.11 -38.55 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.812 -1.18 . . . . 0.0 109.87 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -24.33 62.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.437 -0.789 . . . . 0.0 109.419 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.53 -57.37 10.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.14 -26.15 66.06 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.543 0.687 . . . . 0.0 109.771 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 91.1 m -64.51 -55.63 19.37 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.069 -1.019 . . . . 0.0 110.834 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.4 -32.21 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.88 -1.138 . . . . 0.0 110.704 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.18 51.3 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.572 0.701 . . . . 0.0 110.339 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.6 m -60.01 -40.05 87.9 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.643 -0.661 . . . . 0.0 109.771 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 82' ' ' THR . 21.8 m120 -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.154 -0.966 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.2 t30 . . . . . 0 N--CA 1.495 1.78 0 O-C-N 120.983 -1.073 . . . . 0.0 110.525 -178.699 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -60.04 -48.91 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.427 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.574 HD13 HD11 ' A' ' 57' ' ' ILE . 34.8 tp -60.0 -50.13 74.95 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.915 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.74 -39.98 95.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.0 110.136 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 42.0 t . . . . . 0 N--CA 1.491 1.583 0 O-C-N 121.077 -1.015 . . . . 0.0 110.992 -178.951 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 . . . . . 0 N--CA 1.489 1.506 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -59.96 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 179.054 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.531 HD13 HD11 ' B' ' 57' ' ' ILE . 33.9 tp -60.08 -50.15 74.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.31 -0.868 . . . . 0.0 110.899 -178.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.65 -39.95 95.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.94 . . . . 0.0 110.896 -178.822 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m . . . . . 0 N--CA 1.498 1.956 0 N-CA-C 108.631 -0.877 . . . . 0.0 108.631 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.13 -56.93 15.54 Favored 'General case' 0 C--O 1.2 -1.5 0 O-C-N 121.305 -0.872 . . . . 0.0 110.783 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' B' ' 40' ' ' GLU . 84.2 mt -58.2 -38.64 77.15 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.887 -1.133 . . . . 0.0 110.296 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -54.62 -45.36 73.67 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.962 -1.086 . . . . 0.0 108.287 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.6 p -70.0 -36.38 75.1 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.487 -0.758 . . . . 0.0 110.052 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -51.46 -51.78 52.03 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.334 -0.854 . . . . 0.0 109.872 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ttt -60.04 -36.16 76.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.45 -39.94 94.78 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.211 -0.931 . . . . 0.0 110.464 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 15.0 p -68.25 -46.74 69.64 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.83 0.824 . . . . 0.0 110.553 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -45.31 93.23 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mt -80.7 -36.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.754 -1.216 . . . . 0.0 112.274 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -59.98 -40.22 88.35 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.197 -1.564 . . . . 0.0 109.911 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -80.62 -34.69 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.357 -0.839 . . . . 0.0 110.682 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.347 -0.846 . . . . 0.0 112.446 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.545 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -82.56 -21.07 35.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.514 -0.742 . . . . 0.0 111.675 -177.317 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.545 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.86 -59.96 2.71 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.569 -1.332 . . . . 0.0 110.47 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -71.66 -36.36 70.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.728 -1.232 . . . . 0.0 111.138 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -57.53 -20.03 28.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.955 -1.091 . . . . 0.0 111.328 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.74 19.94 12.16 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB2' ' HZ2' ' A' ' 21' ' ' LYS . 1.5 tppp? . . . . . 0 N--CA 1.49 1.537 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.314 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 . . . . . 0 N--CA 1.503 2.193 0 CA-C-O 121.867 0.842 . . . . 0.0 110.234 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.4 145.65 27.07 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -97.01 152.11 19.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.77 -1.206 . . . . 0.0 110.104 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.475 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 23.4 t -129.21 164.07 24.23 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -49.44 -42.3 42.48 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.489 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -71.59 -31.5 67.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.838 -1.164 . . . . 0.0 111.968 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.7 mt-10 -74.32 -37.26 63.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.262 -1.524 . . . . 0.0 108.269 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.09 -51.57 69.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.864 -0.522 . . . . 0.0 112.088 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.814 -1.179 . . . . 0.0 112.52 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -71.08 -32.13 68.71 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.944 -1.097 . . . . 0.0 109.895 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.1 tp -64.61 -40.06 94.83 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.606 -0.684 . . . . 0.0 112.751 -177.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.89 -33.75 21.15 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.316 -1.49 . . . . 0.0 113.215 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.98 -19.63 63.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.627 -1.295 . . . . 0.0 109.782 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -77.77 -67.25 0.74 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.613 -0.679 . . . . 0.0 112.119 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.645 ' HB2' HD12 ' B' ' 4' ' ' LEU . 26.4 mp0 -86.89 -48.25 8.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.367 -1.458 . . . . 0.0 111.144 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.87 66.89 5.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.17 . . . . 0.0 108.253 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.0 m -79.9 -23.55 41.75 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.119 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -108.15 4.06 24.46 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.053 -1.029 . . . . 0.0 111.675 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -119.94 -80.7 0.62 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.043 -1.035 . . . . 0.0 108.91 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.565 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -70.89 137.45 49.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.53 151.77 34.25 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 32.9 m -155.24 -34.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.75 -17.96 24.61 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.927 -1.108 . . . . 0.0 110.466 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -68.24 -39.98 82.14 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.245 -0.91 . . . . 0.0 108.924 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -129.96 116.8 19.12 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.341 0.591 . . . . 0.0 109.909 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.26 -30.79 71.69 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.43 -39.99 89.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.489 -0.757 . . . . 0.0 109.002 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.414 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.237 -0.914 . . . . 0.0 110.655 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 27.2 t -69.98 -56.44 11.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 112.594 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.15 -40.1 95.43 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.592 -1.317 . . . . 0.0 111.54 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -72.37 -39.91 67.68 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 111.267 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.574 HD11 HD13 ' C' ' 8' ' ' LEU . 96.5 mt -74.75 -53.67 16.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.05 -1.031 . . . . 0.0 109.867 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.9 tmt? -60.49 -46.09 91.39 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.166 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.37 -38.27 81.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 0.0 109.811 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -89.01 -17.04 30.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 0.0 109.832 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 57' ' ' ILE . 56.8 tp -82.23 -13.61 56.81 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.7 m-20 -96.78 34.19 1.73 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 175.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.6 pt-20 -36.08 -20.66 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 111.984 -2.371 . . . . 0.0 111.275 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 62' ' ' ASP . 83.5 m-20 -84.35 0.68 48.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.568 -1.332 . . . . 0.0 107.909 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 74.44 29.54 61.73 Favored Glycine 0 N--CA 1.478 1.475 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.633 ' C ' ' H ' ' A' ' 68' ' ' GLU . 19.9 p-10 -109.2 110.95 22.29 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.2 12.81 0.04 OUTLIER Glycine 0 N--CA 1.493 2.447 0 O-C-N 119.504 -1.997 . . . . 0.0 111.018 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.633 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.7 mt-10 -120.01 139.61 52.23 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.16 127.96 53.88 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 CA-C-O 122.156 0.979 . . . . 0.0 110.533 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.2 159.31 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.9 p90 -59.96 -36.33 76.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.127 -0.983 . . . . 0.0 110.135 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.3 tt0 -62.33 -40.14 95.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.771 -1.206 . . . . 0.0 110.484 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.12 -42.14 73.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.872 -1.143 . . . . 0.0 111.201 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.729 ' O ' HG22 ' A' ' 78' ' ' VAL . 43.7 t80 -64.5 -50.11 68.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.28 -0.888 . . . . 0.0 111.989 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.32 -35.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.877 -0.514 . . . . 0.0 111.77 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.07 -58.98 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.051 -1.031 . . . . 0.0 111.577 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.74 -43.63 92.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.043 -1.036 . . . . 0.0 113.236 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 74' ' ' PHE . 32.6 m -61.45 -35.33 65.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.967 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.453 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -76.14 -27.44 57.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.141 -0.975 . . . . 0.0 109.627 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -61.53 -30.29 70.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.002 -1.061 . . . . 0.0 109.445 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.69 -24.07 19.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.148 -0.97 . . . . 0.0 109.877 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -65.23 -53.44 44.45 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.76 -179.059 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 82' ' ' THR . 3.6 m -82.3 -37.49 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.734 -1.229 . . . . 0.0 111.05 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -65.93 -40.05 91.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.959 -1.088 . . . . 0.0 110.71 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.2 t -71.42 -39.02 71.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.258 -0.902 . . . . 0.0 110.119 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -60.01 -46.16 90.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.82 . . . . 0.0 110.7 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.6 t30 . . . . . 0 C--N 1.299 -1.605 0 O-C-N 121.107 -0.995 . . . . 0.0 110.9 -179.194 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m . . . . . 0 N--CA 1.497 1.907 0 N-CA-C 108.644 -0.873 . . . . 0.0 108.644 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.9 mt-10 -59.95 -56.86 16.48 Favored 'General case' 0 C--O 1.201 -1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 110.705 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 40' ' ' GLU . 84.6 mt -58.32 -38.7 77.64 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.82 -1.175 . . . . 0.0 110.318 -177.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.41 -45.42 72.94 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.986 -1.071 . . . . 0.0 108.329 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 32.2 p -70.08 -35.24 74.06 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.456 -0.777 . . . . 0.0 110.022 179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -50.87 63.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.717 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.7 ttt -59.93 -36.17 76.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 0.0 109.662 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.47 -40.04 94.95 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.203 -0.936 . . . . 0.0 110.321 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.0 p -68.29 -46.47 70.25 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.15 -45.2 93.88 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.7 -36.54 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.683 -1.261 . . . . 0.0 112.091 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.01 -40.18 88.4 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.225 -1.547 . . . . 0.0 109.875 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.401 HG11 HD21 ' A' ' 4' ' ' LEU . 9.0 p -80.59 -34.39 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.333 -0.854 . . . . 0.0 110.739 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.06 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.424 -0.798 . . . . 0.0 112.399 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -82.7 -20.85 35.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.503 -0.748 . . . . 0.0 111.769 -177.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.539 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.12 -59.89 2.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.613 -1.305 . . . . 0.0 110.4 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -71.81 -36.39 70.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.756 -1.215 . . . . 0.0 111.059 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -57.26 -19.9 24.45 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.966 -1.084 . . . . 0.0 111.387 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.83 19.55 12.22 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . 0.505 ' HB2' ' HZ2' ' B' ' 21' ' ' LYS . 1.5 tppp? . . . . . 0 N--CA 1.49 1.527 0 O-C-N 120.839 -1.389 . . . . 0.0 108.864 179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 . . . . . 0 N--CA 1.502 2.13 0 CA-C-O 121.821 0.82 . . . . 0.0 110.206 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.46 145.88 27.14 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.35 151.93 19.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.879 -1.138 . . . . 0.0 110.103 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 26.7 t -129.2 163.64 25.14 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.08 -42.02 37.36 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 118.59 -1.244 . . . . 0.0 110.557 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.7 -30.25 64.07 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.721 -1.237 . . . . 0.0 111.789 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.47 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.4 mt-10 -74.84 -37.13 62.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.191 -1.568 . . . . 0.0 108.24 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.06 -51.86 67.83 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.317 0.58 . . . . 0.0 112.037 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.699 -1.251 . . . . 0.0 112.468 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -71.15 -31.96 68.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.974 -1.079 . . . . 0.0 109.864 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.463 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 tp -64.74 -40.06 94.68 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.75 -33.82 21.35 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.244 -1.535 . . . . 0.0 113.264 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.96 -19.78 63.35 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.677 -1.264 . . . . 0.0 109.859 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -77.53 -67.28 0.74 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.761 -0.587 . . . . 0.0 112.152 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.579 ' HB2' HD12 ' A' ' 4' ' ' LEU . 25.9 mp0 -87.11 -47.98 8.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.367 -1.458 . . . . 0.0 111.23 -177.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.9 66.83 5.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.765 -1.209 . . . . 0.0 108.205 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -80.01 -23.32 41.6 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.208 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -108.49 4.48 24.26 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.01 -1.056 . . . . 0.0 111.512 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.02 -80.71 0.62 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.027 -1.045 . . . . 0.0 108.776 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.558 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.3 mm? -71.03 137.61 49.15 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.237 -0.985 . . . . 0.0 108.407 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.57 151.69 34.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 31.4 m -155.11 -34.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.52 -18.08 24.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 110.487 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -68.2 -40.0 82.3 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.189 -0.945 . . . . 0.0 109.067 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -130.04 116.46 18.58 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.286 0.565 . . . . 0.0 109.802 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.69 70.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.2 -40.0 92.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.456 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -60.63 -37.36 81.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.376 -0.827 . . . . 0.0 111.172 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 35.4 t -72.16 -56.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 112.589 -178.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.31 -39.97 94.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.767 -1.208 . . . . 0.0 111.567 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -72.46 -40.03 67.3 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.097 -1.002 . . . . 0.0 111.266 -178.625 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.531 HD11 HD13 ' D' ' 8' ' ' LEU . 96.6 mt -74.7 -53.45 16.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.968 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.46 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.9 tmt? -60.5 -46.0 91.74 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.188 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.69 -37.96 79.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.924 -1.11 . . . . 0.0 109.885 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.19 -17.07 29.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.093 -1.004 . . . . 0.0 109.837 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' B' ' 57' ' ' ILE . 56.4 tp -82.18 -13.47 57.1 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' B' ' 65' ' ' GLY . 5.6 m-20 -96.91 34.33 1.73 Allowed 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.6 pt-20 -36.16 -20.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 111.862 -2.426 . . . . 0.0 111.289 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 62' ' ' ASP . 83.7 m-20 -84.33 0.71 48.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.599 -1.313 . . . . 0.0 107.987 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 74.39 29.28 62.23 Favored Glycine 0 C--N 1.299 -1.527 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.623 ' C ' ' H ' ' B' ' 68' ' ' GLU . 20.0 p-10 -108.77 110.98 22.49 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.13 12.71 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 O-C-N 119.493 -2.004 . . . . 0.0 111.002 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.623 ' H ' ' C ' ' B' ' 66' ' ' ASP . 95.6 mt-10 -119.95 140.03 51.55 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.95 127.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 CA-C-O 122.132 0.968 . . . . 0.0 110.624 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.08 159.43 29.83 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 47.9 p90 -59.97 -36.4 77.07 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.542 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.4 tt0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.784 -1.198 . . . . 0.0 110.472 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.11 -42.13 73.06 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.841 -1.162 . . . . 0.0 111.335 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.713 ' O ' HG22 ' B' ' 78' ' ' VAL . 45.1 t80 -64.57 -50.16 68.35 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.356 -0.84 . . . . 0.0 112.044 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.1 -36.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.863 -0.523 . . . . 0.0 111.704 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.96 -59.0 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.031 -1.043 . . . . 0.0 111.531 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.57 -43.54 93.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 113.159 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.713 HG22 ' O ' ' B' ' 74' ' ' PHE . 30.1 m -62.16 -34.45 63.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 O-C-N 120.707 -1.246 . . . . 0.0 110.988 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.425 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -76.4 -27.52 56.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.024 . . . . 0.0 109.602 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' B' ' 84' ' ' ALA . . . -64.02 -23.69 67.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.893 -1.129 . . . . 0.0 109.988 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -96.39 -24.42 16.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -65.23 -53.27 46.99 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.886 -179.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' B' ' 82' ' ' THR . 4.1 m -82.63 -37.61 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.838 -1.164 . . . . 0.0 110.977 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 80' ' ' ALA . . . -65.91 -39.82 90.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.987 -1.071 . . . . 0.0 110.717 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.1 t -71.41 -39.17 71.29 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.177 -0.952 . . . . 0.0 110.227 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -60.0 -46.0 90.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.424 -0.798 . . . . 0.0 110.787 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t30 . . . . . 0 N--CA 1.491 1.617 0 O-C-N 121.128 -0.983 . . . . 0.0 110.93 -179.371 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 84.1 t60 . . . . . 0 N--CA 1.486 1.344 0 N-CA-C 108.695 -0.854 . . . . 0.0 108.695 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -42.19 94.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.797 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.09 -53.11 27.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.426 -0.796 . . . . 0.0 111.245 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.85 -40.01 76.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.972 -1.08 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 63.4 m . . . . . 0 N--CA 1.494 1.727 0 O-C-N 120.817 -1.177 . . . . 0.0 110.193 -179.263 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 83.9 t60 . . . . . 0 N--CA 1.486 1.374 0 N-CA-C 108.74 -0.837 . . . . 0.0 108.74 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -64.9 -42.28 94.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.145 -0.972 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -68.28 -52.8 29.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.374 -0.829 . . . . 0.0 111.274 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -69.89 -40.07 75.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.826 -1.171 . . . . 0.0 110.454 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m . . . . . 0 N--CA 1.493 1.721 0 O-C-N 120.841 -1.162 . . . . 0.0 110.248 -179.169 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m . . . . . 0 N--CA 1.494 1.74 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 6' ' ' THR . 95.9 mt-10 -64.3 -51.02 65.53 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.643 0.735 . . . . 0.0 110.041 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.47 HD21 HD12 ' B' ' 41' ' ' LEU . 25.5 tp -60.16 -38.28 82.69 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.725 -177.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.78 -46.42 81.53 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 122.223 1.011 . . . . 0.0 108.828 178.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 37.2 p -67.41 -35.05 78.5 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.62 -0.675 . . . . 0.0 110.457 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.589 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -52.29 -54.93 25.18 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.942 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.7 ppp? -59.87 -33.51 71.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.322 -1.486 . . . . 0.0 109.138 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.27 -35.12 80.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.803 . . . . 0.0 110.28 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.587 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 21.1 p -73.67 -47.36 40.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 111.131 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 70.7 mt -57.71 -41.23 81.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 111.069 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.11 -26.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.106 -0.996 . . . . 0.0 111.48 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.99 -40.04 94.28 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.35 -1.469 . . . . 0.0 109.28 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 m -79.8 -34.21 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.875 -0.516 . . . . 0.0 110.939 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.438 ' O ' ' OG ' ' A' ' 19' ' ' SER . 16.3 m-30 -60.06 -49.82 76.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.112 -0.992 . . . . 0.0 111.057 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . 0.5 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 1.5 p80 -81.03 -20.11 42.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 112.093 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -74.04 -60.26 2.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.398 -1.439 . . . . 0.0 111.966 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.53 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 2.0 p-80 -74.97 -38.86 61.57 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.152 -1.593 . . . . 0.0 110.676 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.495 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 7.3 m -61.13 -12.64 13.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 0.0 110.208 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.58 15.63 62.9 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.8 mttm . . . . . 0 N--CA 1.49 1.525 0 O-C-N 121.064 -1.257 . . . . 0.0 108.531 178.536 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 17.4 p90 . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.836 0.827 . . . . 0.0 111.938 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -141.0 142.28 34.27 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.495 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 5.3 tp -98.92 150.92 21.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.788 -1.195 . . . . 0.0 110.149 -177.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.5 m -130.92 165.09 23.86 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -53.22 -44.46 68.08 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.149 -0.97 . . . . 0.0 111.574 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.68 -27.29 62.94 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.621 -1.299 . . . . 0.0 110.834 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.53 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 99.1 mt-10 -75.83 -40.05 55.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 33' ' ' LEU . 1.9 tt -60.03 -45.85 91.45 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.495 0.664 . . . . 0.0 111.33 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.656 ' N ' HD23 ' A' ' 33' ' ' LEU . 80.1 tttt -63.1 -40.0 96.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.406 -0.809 . . . . 0.0 112.301 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -75.74 -27.45 58.12 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.673 -1.267 . . . . 0.0 109.893 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.562 HD23 ' CZ ' ' A' ' 74' ' ' PHE . 48.5 tp -68.11 -39.87 82.7 Favored 'General case' 0 C--N 1.291 -1.963 0 O-C-N 121.149 -0.969 . . . . 0.0 111.852 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' A' ' 74' ' ' PHE . 26.1 mt -83.53 -37.28 23.24 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.624 -1.297 . . . . 0.0 112.467 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.1 pp0? -69.81 -33.22 72.05 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.78 -1.2 . . . . 0.0 109.832 -178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.497 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 53.4 m -86.35 -65.07 1.05 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.058 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 57.2 mp0 -69.66 -55.4 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.263 -0.898 . . . . 0.0 111.875 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.633 HD13 HD22 ' A' ' 45' ' ' LEU . 1.8 mt -96.07 48.84 1.12 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 122.598 1.19 . . . . 0.0 108.105 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.3 p -65.77 -17.96 65.0 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.209 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.4 p -89.2 -8.47 53.51 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.795 -1.191 . . . . 0.0 113.382 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.85 -59.81 0.5 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.363 -1.461 . . . . 0.0 111.129 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.633 HD22 HD13 ' A' ' 41' ' ' LEU . 2.6 mp -71.38 134.76 46.9 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.801 -1.187 . . . . 0.0 108.885 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -122.24 156.03 34.63 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 48' ' ' GLN . 27.3 m -158.37 -35.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.51 ' N ' HG23 ' A' ' 47' ' ' VAL . 13.1 pt20 -73.58 -45.57 52.44 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.97 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -70.06 -34.58 73.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.658 -1.276 . . . . 0.0 109.85 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -108.83 97.78 7.37 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.494 -0.754 . . . . 0.0 110.233 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.29 70.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.925 . . . . 0.0 108.999 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.5 -40.07 90.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.051 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.09 93.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.622 -0.674 . . . . 0.0 110.852 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.406 HG22 ' HB ' ' A' ' 47' ' ' VAL . 46.9 t -67.47 -52.86 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 112.011 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -60.27 -39.71 87.81 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.761 -1.212 . . . . 0.0 110.236 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -69.25 -38.95 78.69 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.137 -0.977 . . . . 0.0 112.367 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -82.09 -51.64 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.167 -1.583 . . . . 0.0 109.929 -179.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.495 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 7.0 tpt -60.04 -49.74 76.47 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.194 -0.941 . . . . 0.0 112.071 -177.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -70.8 -36.39 72.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.544 -1.348 . . . . 0.0 109.932 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.61 -15.92 35.96 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.502 -0.749 . . . . 0.0 110.007 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 57' ' ' ILE . 62.4 tp -83.45 -14.12 53.22 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' A' ' 65' ' ' GLY . 14.9 m-20 -92.59 41.94 1.09 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 174.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.0 tp10 -42.2 -23.16 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.194 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -86.14 -11.12 53.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.725 -1.234 . . . . 0.0 108.153 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 90.13 32.22 9.98 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' A' ' 68' ' ' GLU . 17.4 p-10 -110.46 113.76 26.65 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.69 9.54 0.06 OUTLIER Glycine 0 N--CA 1.494 2.546 0 O-C-N 119.438 -2.039 . . . . 0.0 110.599 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.626 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.6 mt-10 -118.28 138.23 52.51 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.53 130.07 61.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 72' ' ' GLN . 66.1 t0 -87.77 126.41 34.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.939 -1.1 . . . . 0.0 109.107 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' ASP . 45.6 m-85 -23.59 -38.5 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -60.74 -41.38 95.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.364 -1.46 . . . . 0.0 110.094 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.6 mt-10 -70.98 -43.15 68.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.813 -1.179 . . . . 0.0 110.82 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.769 ' O ' HG22 ' A' ' 78' ' ' VAL . 17.4 t80 -61.03 -50.4 73.47 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 76' ' ' VAL . 10.0 p -59.97 -40.03 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-O 121.086 0.47 . . . . 0.0 111.615 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.474 ' N ' HG13 ' A' ' 75' ' ' VAL . 26.4 t -61.44 -59.46 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 111.421 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.6 -50.74 62.05 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.573 -1.33 . . . . 0.0 112.665 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 74' ' ' PHE . 16.6 m -59.98 -39.16 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 112.452 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.553 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.36 -25.96 63.51 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.304 -0.873 . . . . 0.0 110.193 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.03 94.53 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.02 -37.25 87.0 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.865 -0.522 . . . . 0.0 110.113 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -52.64 64.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.971 -1.08 . . . . 0.0 110.738 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -68.07 -39.36 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.222 -0.924 . . . . 0.0 110.651 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-O 121.454 0.645 . . . . 0.0 110.462 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.2 m -60.06 -40.03 88.07 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.12 -39.94 87.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 110.552 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.496 1.869 0 O-C-N 120.785 -1.197 . . . . 0.0 110.847 -179.379 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m . . . . . 0 N--CA 1.493 1.723 0 CA-C-O 121.839 0.828 . . . . 0.0 108.78 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.474 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.5 mt-10 -64.3 -51.07 65.3 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.555 0.693 . . . . 0.0 110.126 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 41' ' ' LEU . 25.6 tp -60.08 -38.37 82.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.684 -0.635 . . . . 0.0 109.85 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -56.74 -46.32 81.45 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 122.211 1.005 . . . . 0.0 108.801 178.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 36.8 p -67.47 -33.87 76.01 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.638 -0.663 . . . . 0.0 110.517 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.587 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.94 -53.76 48.33 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.339 -0.851 . . . . 0.0 110.776 -175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.6 ppp? -60.07 -33.73 72.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.601 -1.312 . . . . 0.0 109.006 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.03 -35.4 81.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.548 -0.72 . . . . 0.0 110.242 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.589 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 21.7 p -73.52 -47.19 42.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 111.161 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 68.5 mt -58.32 -40.38 81.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.343 -0.848 . . . . 0.0 111.117 -178.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mt -78.91 -28.64 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.078 -1.014 . . . . 0.0 111.134 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.3 -39.96 88.79 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.586 -1.321 . . . . 0.0 109.496 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.455 ' H ' HG22 ' B' ' 14' ' ' VAL . 7.8 m -80.27 -34.01 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.871 -0.518 . . . . 0.0 111.029 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 16.0 m-30 -60.0 -49.87 75.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.104 -0.997 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.493 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 1.6 p80 -80.89 -20.35 42.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.956 -1.09 . . . . 0.0 112.131 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . 0.474 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -73.77 -60.25 2.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.441 -1.412 . . . . 0.0 112.053 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 2.0 p-80 -75.04 -38.6 61.38 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.139 -1.601 . . . . 0.0 110.781 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 8.2 m -61.39 -12.8 15.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.168 -0.958 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.45 15.73 62.63 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttm . . . . . 0 N--CA 1.489 1.476 0 O-C-N 121.113 -1.228 . . . . 0.0 108.509 178.332 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.555 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 16.9 p90 . . . . . 0 N--CA 1.497 1.893 0 CA-C-O 121.867 0.841 . . . . 0.0 111.976 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -140.91 142.46 34.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.502 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 5.4 tp -99.02 151.14 21.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.81 -1.182 . . . . 0.0 110.158 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 69.6 m -131.94 163.36 28.53 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.638 -0.664 . . . . 0.0 109.435 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -51.61 -44.58 62.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.055 -1.028 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.31 -26.73 62.06 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.464 -1.398 . . . . 0.0 110.705 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.534 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 99.1 mt-10 -75.82 -39.97 55.8 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.697 HD23 ' C ' ' B' ' 33' ' ' LEU . 1.7 tt -60.39 -45.17 94.5 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.305 0.574 . . . . 0.0 111.246 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.656 ' N ' HD23 ' B' ' 33' ' ' LEU . 80.3 tttt -63.75 -40.01 95.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.465 -0.772 . . . . 0.0 112.25 -177.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.49 -27.67 58.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.75 -1.218 . . . . 0.0 109.928 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' B' ' 74' ' ' PHE . 50.5 tp -67.99 -39.7 83.21 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 121.184 -0.947 . . . . 0.0 111.839 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.477 HD22 HD23 ' B' ' 45' ' ' LEU . 27.4 mt -83.63 -37.27 23.08 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.633 -1.292 . . . . 0.0 112.422 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.1 pp0? -69.99 -33.02 71.51 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.687 -1.258 . . . . 0.0 109.774 -178.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.504 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 52.7 m -86.55 -65.38 1.02 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.423 -0.798 . . . . 0.0 112.013 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 57.1 mp0 -69.33 -55.63 9.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.341 -0.849 . . . . 0.0 111.785 -177.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.619 HD13 HD22 ' B' ' 45' ' ' LEU . 1.8 mt -95.91 49.03 1.14 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.776 -1.203 . . . . 0.0 108.025 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 77.4 p -65.95 -17.82 64.92 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.233 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 92.8 p -89.35 -8.23 53.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.797 -1.189 . . . . 0.0 113.279 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -141.08 -59.54 0.5 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.317 -1.489 . . . . 0.0 111.185 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.619 HD22 HD13 ' B' ' 41' ' ' LEU . 2.6 mp -71.7 135.38 46.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.694 -1.253 . . . . 0.0 108.781 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.76 156.31 34.72 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.506 HG23 ' N ' ' B' ' 48' ' ' GLN . 27.5 m -158.87 -34.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.506 ' N ' HG23 ' B' ' 47' ' ' VAL . 13.2 pt20 -73.91 -45.02 53.27 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.827 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -70.66 -34.81 72.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.658 -1.276 . . . . 0.0 109.686 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -108.57 97.82 7.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.463 -0.773 . . . . 0.0 110.262 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.16 71.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.233 -0.917 . . . . 0.0 108.985 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.64 -40.03 90.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.37 -0.831 . . . . 0.0 108.962 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.38 88.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.693 -0.629 . . . . 0.0 111.245 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.41 HG22 ' HB ' ' B' ' 47' ' ' VAL . 44.3 t -69.15 -52.7 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 111.927 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.96 -40.02 87.62 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 120.805 -1.184 . . . . 0.0 110.273 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.11 -39.16 79.11 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.03 -1.044 . . . . 0.0 112.388 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -81.93 -52.11 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 120.184 -1.572 . . . . 0.0 109.775 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 7.2 tpt -59.9 -49.54 77.31 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.087 -1.008 . . . . 0.0 112.033 -177.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -70.66 -36.63 73.45 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.482 -1.386 . . . . 0.0 109.901 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.45 -16.03 35.99 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.462 -0.774 . . . . 0.0 110.055 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' B' ' 57' ' ' ILE . 63.7 tp -83.23 -14.14 53.86 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' B' ' 65' ' ' GLY . 14.5 m-20 -92.6 41.88 1.09 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.0 tp10 -42.16 -23.21 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 111.934 -2.394 . . . . 0.0 110.273 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -86.03 -11.25 53.38 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.793 -1.192 . . . . 0.0 108.131 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 90.25 31.61 10.51 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.613 ' C ' ' H ' ' B' ' 68' ' ' GLU . 16.8 p-10 -109.87 114.02 27.23 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.76 9.47 0.06 OUTLIER Glycine 0 N--CA 1.491 2.302 0 O-C-N 119.449 -2.032 . . . . 0.0 110.448 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.613 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.9 mt-10 -117.9 139.16 51.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.68 130.35 61.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' B' ' 72' ' ' GLN . 66.2 t0 -87.69 126.62 35.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.829 -1.169 . . . . 0.0 108.973 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' B' ' 70' ' ' ASP . 44.4 m-85 -23.86 -38.65 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -60.28 -41.86 94.23 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.344 -1.472 . . . . 0.0 110.016 179.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 70' ' ' ASP . 98.7 mt-10 -70.84 -43.35 68.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.801 -1.187 . . . . 0.0 110.797 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.783 ' O ' HG22 ' B' ' 78' ' ' VAL . 19.6 t80 -60.32 -50.7 72.6 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.475 HG13 ' N ' ' B' ' 76' ' ' VAL . 9.8 p -59.97 -39.98 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 CA-C-O 121.033 0.444 . . . . 0.0 111.676 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.475 ' N ' HG13 ' B' ' 75' ' ' VAL . 25.1 t -61.53 -59.21 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.029 -1.044 . . . . 0.0 111.395 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.71 -50.76 61.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.655 -1.278 . . . . 0.0 112.691 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.783 HG22 ' O ' ' B' ' 74' ' ' PHE . 17.6 m -60.08 -39.34 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.141 -0.974 . . . . 0.0 112.428 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.558 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.06 -26.13 63.87 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.339 -0.851 . . . . 0.0 110.519 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.53 87.02 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.97 -38.82 83.62 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.325 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -60.16 -52.73 64.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.84 -1.163 . . . . 0.0 110.881 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -39.25 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.14 -0.975 . . . . 0.0 110.761 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.02 88.48 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.471 0.653 . . . . 0.0 110.497 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.291 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.19 -39.94 88.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.451 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 N--CA 1.498 1.949 0 O-C-N 120.934 -1.104 . . . . 0.0 110.757 -179.306 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 56.1 m80 . . . . . 0 N--CA 1.493 1.715 0 N-CA-C 108.941 -0.762 . . . . 0.0 108.941 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -60.01 -49.05 79.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 52.3 tp -63.98 -48.66 75.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.727 -0.608 . . . . 0.0 110.614 -179.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.417 ' N ' HD23 ' C' ' 9' ' ' LEU . 5.8 mt -69.39 -38.81 78.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.884 -1.135 . . . . 0.0 109.545 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p . . . . . 0 N--CA 1.495 1.778 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.309 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 56.8 m80 . . . . . 0 N--CA 1.492 1.633 0 N-CA-C 108.938 -0.764 . . . . 0.0 108.938 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.0 -48.93 79.7 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 53.4 tp -63.84 -48.86 75.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.634 -0.667 . . . . 0.0 110.631 -179.726 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . 0.404 ' N ' HD23 ' D' ' 9' ' ' LEU . 6.0 mt -69.28 -38.84 78.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 109.568 -178.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 20.5 p . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.127 -0.983 . . . . 0.0 110.491 -179.263 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 52.2 mp0 -59.87 -52.32 65.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.12 -36.64 77.91 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.176 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -56.43 -49.13 75.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.046 -1.034 . . . . 0.0 108.847 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.4 p -64.02 -32.96 74.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.71 -0.619 . . . . 0.0 110.865 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -56.98 -49.19 76.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.249 -0.907 . . . . 0.0 110.719 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ttt -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.715 -1.24 . . . . 0.0 109.225 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.2 mm-40 -61.09 -39.8 91.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.715 . . . . 0.0 110.314 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.536 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 11.4 p -69.2 -45.86 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.658 -0.651 . . . . 0.0 111.355 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.07 -40.89 91.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.311 -0.868 . . . . 0.0 111.215 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mt -81.97 -36.57 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.359 -0.838 . . . . 0.0 112.487 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 16.0 m120 -60.13 -39.92 87.97 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.362 -1.461 . . . . 0.0 109.189 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 p -80.03 -32.75 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.81 -0.556 . . . . 0.0 110.571 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -60.04 -56.25 23.99 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.093 -1.004 . . . . 0.0 111.232 -179.289 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.01 -23.51 63.14 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.818 -0.551 . . . . 0.0 111.1 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.24 -60.28 2.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.77 -1.206 . . . . 0.0 110.834 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.524 ' NE2' ' OE2' ' A' ' 40' ' ' GLU . 56.4 m-70 -70.56 -40.08 73.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.403 -1.435 . . . . 0.0 111.521 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.613 ' OG ' HD11 ' A' ' 28' ' ' LEU . 51.2 m -64.88 -12.04 44.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.993 -1.067 . . . . 0.0 110.256 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.27 12.96 60.25 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp . . . . . 0 N--CA 1.489 1.516 0 O-C-N 121.252 -1.146 . . . . 0.0 108.973 178.992 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CE1' ' CZ ' ' A' ' 71' ' ' PHE . 26.4 t80 . . . . . 0 N--CA 1.5 2.07 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 140.44 36.16 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.613 HD11 ' OG ' ' A' ' 19' ' ' SER . 3.6 mm? -98.41 152.4 19.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.68 -1.263 . . . . 0.0 110.779 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.1 p -126.41 161.66 27.36 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -46.57 -44.09 17.72 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.001 -1.062 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -69.95 -29.56 66.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.009 -1.057 . . . . 0.0 111.749 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' A' ' 29' ' ' SER . 47.6 mt-10 -76.59 -35.51 58.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.629 -1.294 . . . . 0.0 107.678 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.461 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 47.1 tp -59.95 -49.55 77.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.671 -0.643 . . . . 0.0 110.793 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.26 -35.68 72.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.121 -0.987 . . . . 0.0 110.253 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 48.4 t0 -70.0 -28.8 65.81 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.266 -0.896 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 32' ' ' GLU . 1.1 mm? -66.93 -43.11 84.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.118 -0.989 . . . . 0.0 112.675 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.915 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -87.56 -32.01 19.58 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 120.519 -1.363 . . . . 0.0 113.293 -177.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.2 pt20 -77.65 -39.98 43.23 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.643 -1.286 . . . . 0.0 111.693 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 27.1 m -85.54 -50.53 7.18 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.302 -0.874 . . . . 0.0 112.375 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' A' ' 18' ' ' HIS . 71.3 mm-40 -87.18 -49.73 7.09 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.17 35.74 0.99 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.726 -1.234 . . . . 0.0 111.394 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 43' ' ' SER . 47.5 t -50.02 132.24 23.12 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.6 t 154.33 -41.89 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 118.89 0.768 . . . . 0.0 110.608 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -164.0 -40.77 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.777 -1.202 . . . . 0.0 110.849 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' N ' HD22 ' A' ' 45' ' ' LEU . 4.0 mm? -56.9 129.51 41.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.534 -1.266 . . . . 0.0 107.716 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -118.09 146.87 43.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.844 -1.16 . . . . 0.0 108.622 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 48' ' ' GLN . 4.7 m -152.47 -37.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 47' ' ' VAL . 26.8 mt-30 -70.05 -60.26 2.4 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.04 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -70.37 -32.7 70.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.846 -1.159 . . . . 0.0 110.454 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 12.1 p-10 -88.41 84.28 6.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.457 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.06 94.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.661 -0.649 . . . . 0.0 109.862 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.99 87.74 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 109.09 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.22 91.86 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.419 -0.8 . . . . 0.0 111.453 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.68 -56.25 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.956 -1.09 . . . . 0.0 111.529 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.313 -1.492 . . . . 0.0 111.401 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.04 -39.92 75.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 112.468 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -78.23 -50.04 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.862 -1.149 . . . . 0.0 110.396 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.6 tpt -61.84 -43.43 98.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.436 -0.79 . . . . 0.0 111.524 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.78 -35.22 72.49 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.949 -1.094 . . . . 0.0 110.341 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -93.01 -27.05 17.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 0.0 109.97 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' ILE . 39.4 tp -71.11 -35.08 71.66 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.547 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 18.7 t0 -76.91 57.05 1.27 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 103.617 -2.734 . . . . 0.0 103.617 174.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' A' ' 61' ' ' LEU . 21.9 pt-20 -50.03 -19.91 0.83 Allowed 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 111.241 -2.709 . . . . 0.0 110.438 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -85.49 2.32 45.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.37 37.08 86.64 Favored Glycine 0 N--CA 1.497 2.703 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.22 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.456 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 4.0 p-10 -100.89 -10.61 20.5 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.756 -1.438 . . . . 0.0 110.425 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.77 -5.68 73.81 Favored Glycine 0 N--CA 1.499 2.866 0 O-C-N 120.576 -1.328 . . . . 0.0 110.25 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 97.9 mt-10 -119.99 143.99 47.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.15 133.13 47.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 O-C-N 121.107 -0.995 . . . . 0.0 111.211 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.8 t0 -78.73 154.38 30.09 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CZ ' ' CE1' ' A' ' 26' ' ' TYR . 13.0 m-85 -59.6 -39.22 83.49 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.972 -1.08 . . . . 0.0 108.673 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -40.05 87.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.16 -0.963 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -68.21 -40.05 82.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.512 -1.368 . . . . 0.0 110.554 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.739 ' O ' HG22 ' A' ' 78' ' ' VAL . 44.2 t80 -64.41 -53.3 50.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.593 -0.692 . . . . 0.0 112.432 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.32 -32.01 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.87 -0.518 . . . . 0.0 111.65 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.03 -58.15 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.145 -0.972 . . . . 0.0 111.749 -178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.8 tt -67.39 -43.3 81.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.915 -1.116 . . . . 0.0 112.551 -176.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 74' ' ' PHE . 29.7 m -64.21 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 120.954 -1.091 . . . . 0.0 111.367 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.546 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -78.57 -27.14 45.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.154 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -24.97 65.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.018 -1.051 . . . . 0.0 109.665 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.0 mt -92.31 -38.67 11.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.239 -0.913 . . . . 0.0 109.775 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.5 t -61.6 -47.04 87.25 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.02 -1.05 . . . . 0.0 110.095 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.5 p -76.91 -40.71 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 110.563 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.471 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -60.06 -33.25 71.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 109.975 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.4 t -67.55 -39.93 84.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 109.671 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -61.04 -40.15 92.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.17 -0.957 . . . . 0.0 110.648 -179.26 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.9 t30 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.073 -1.017 . . . . 0.0 111.074 -179.185 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p . . . . . 0 N--CA 1.498 1.967 0 N-CA-C 109.224 -0.658 . . . . 0.0 109.224 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 51.7 mp0 -60.01 -52.24 66.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.352 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.05 -36.85 78.23 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.536 -0.727 . . . . 0.0 110.238 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.35 -48.91 75.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.038 -1.039 . . . . 0.0 108.954 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 22.8 p -64.3 -31.74 73.06 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 110.736 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.536 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -58.35 -48.38 80.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.211 -0.931 . . . . 0.0 110.568 -176.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.045 -1.034 . . . . 0.0 109.119 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.0 mm-40 -61.09 -39.96 91.89 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.595 0.712 . . . . 0.0 110.275 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 10.8 p -68.94 -45.99 69.38 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.599 -0.688 . . . . 0.0 111.341 -177.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.03 -41.12 91.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.387 -0.821 . . . . 0.0 111.318 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mt -81.28 -37.39 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 112.353 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.8 m120 -59.93 -40.08 87.72 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.324 -1.485 . . . . 0.0 109.178 -178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.69 -32.88 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.793 -0.567 . . . . 0.0 110.565 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.457 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -59.88 -56.28 23.66 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.016 -1.053 . . . . 0.0 111.345 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -69.94 -23.34 63.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.818 -0.551 . . . . 0.0 111.174 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 -60.11 2.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.732 -1.23 . . . . 0.0 110.802 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.517 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 55.8 m-70 -70.59 -40.04 73.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.429 -1.419 . . . . 0.0 111.56 -178.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.604 ' OG ' HD11 ' B' ' 28' ' ' LEU . 51.6 m -64.98 -11.87 43.65 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.068 -1.02 . . . . 0.0 110.283 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.4 12.55 59.99 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp . . . . . 0 N--CA 1.488 1.467 0 O-C-N 121.211 -1.17 . . . . 0.0 109.047 179.116 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.609 ' CE1' ' CZ ' ' B' ' 71' ' ' PHE . 26.8 t80 . . . . . 0 N--CA 1.499 1.976 0 CA-C-O 121.107 0.48 . . . . 0.0 112.229 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 140.58 36.37 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 105.963 -1.865 . . . . 0.0 105.963 175.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.604 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.6 mm? -98.61 152.22 19.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.764 -1.21 . . . . 0.0 110.863 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.481 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 78.6 p -126.23 161.31 28.03 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.973 -1.079 . . . . 0.0 110.513 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.03 -28.94 65.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.935 -1.103 . . . . 0.0 111.659 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.481 ' HB2' ' H ' ' B' ' 29' ' ' SER . 47.1 mt-10 -76.85 -35.44 57.49 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 118.339 -1.344 . . . . 0.0 107.666 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' B' ' 37' ' ' LEU . 50.6 tp -59.93 -49.69 76.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.731 -0.606 . . . . 0.0 110.885 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.18 -35.62 71.87 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.024 -1.047 . . . . 0.0 110.182 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 48.6 t0 -70.03 -28.78 65.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 32' ' ' GLU . 1.1 mm? -66.89 -43.22 83.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.054 -1.029 . . . . 0.0 112.727 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.941 HD22 ' H ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -87.69 -30.85 20.07 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.646 -1.284 . . . . 0.0 113.405 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' B' ' 39' ' ' THR . 13.4 pt20 -78.61 -39.94 35.86 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.486 -1.384 . . . . 0.0 111.678 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 30.0 m -85.38 -50.45 7.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.366 -0.834 . . . . 0.0 112.241 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 71.1 mm-40 -87.47 -49.53 7.15 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -175.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.37 35.78 1.01 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.708 -1.245 . . . . 0.0 111.295 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 47.6 t -50.0 132.3 23.06 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 176.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.6 t 154.21 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 118.899 0.772 . . . . 0.0 110.561 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -164.21 -40.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.85 -1.156 . . . . 0.0 110.918 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 45' ' ' LEU . 4.0 mm? -57.19 129.57 42.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.635 -1.291 . . . . 0.0 107.679 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -118.27 146.84 43.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.79 -1.194 . . . . 0.0 108.62 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 48' ' ' GLN . 4.9 m -152.53 -37.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.467 ' N ' HG23 ' B' ' 47' ' ' VAL . 26.8 mt-30 -70.02 -60.27 2.39 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.019 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -70.39 -32.7 70.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.812 -1.18 . . . . 0.0 110.541 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 11.3 p-10 -88.23 83.94 6.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 0.0 109.448 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.96 93.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.632 -0.667 . . . . 0.0 109.897 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.04 -40.0 87.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.256 -0.903 . . . . 0.0 109.026 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.47 83.74 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.425 -0.797 . . . . 0.0 111.955 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -56.06 11.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.78 -1.2 . . . . 0.0 111.446 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.35 -43.69 96.98 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.491 -1.381 . . . . 0.0 111.351 -176.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -70.02 -40.06 75.45 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.464 -0.772 . . . . 0.0 112.445 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.1 mt -78.04 -50.12 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.806 -1.183 . . . . 0.0 110.411 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 7.1 tpt -62.33 -42.97 99.82 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.319 -0.863 . . . . 0.0 111.43 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.91 -34.82 71.91 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.932 -1.105 . . . . 0.0 110.383 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -93.36 -27.14 16.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.15 -0.968 . . . . 0.0 109.912 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' B' ' 57' ' ' ILE . 39.7 tp -70.97 -35.14 72.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 18.2 t0 -76.89 56.98 1.25 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.547 ' H ' ' C ' ' B' ' 61' ' ' LEU . 21.9 pt-20 -49.93 -20.03 0.83 Allowed 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 111.229 -2.714 . . . . 0.0 110.45 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -85.22 1.8 46.59 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.69 34.78 83.56 Favored Glycine 0 N--CA 1.498 2.77 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.287 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.1 p-10 -99.33 -10.83 21.82 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.779 -1.424 . . . . 0.0 110.507 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.85 -5.58 74.69 Favored Glycine 0 N--CA 1.497 2.753 0 O-C-N 120.703 -1.248 . . . . 0.0 110.251 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.02 143.43 48.08 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.5 t -101.95 133.16 46.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 O-C-N 121.048 -1.033 . . . . 0.0 111.408 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.3 t0 -78.86 154.27 29.92 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CE1' ' B' ' 26' ' ' TYR . 12.8 m-85 -59.58 -39.15 83.18 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.12 -0.987 . . . . 0.0 108.67 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.21 -40.0 88.59 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.115 -0.991 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -68.32 -39.98 81.8 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.598 -1.314 . . . . 0.0 110.572 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.73 ' O ' HG22 ' B' ' 78' ' ' VAL . 41.6 t80 -64.35 -53.67 45.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.576 -0.703 . . . . 0.0 112.236 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.03 -32.06 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.858 -0.527 . . . . 0.0 111.741 -177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.0 -58.19 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.081 -1.012 . . . . 0.0 111.784 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.9 tt -67.1 -43.17 83.2 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.994 -1.066 . . . . 0.0 112.558 -176.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.73 HG22 ' O ' ' B' ' 74' ' ' PHE . 28.8 m -64.75 -38.16 81.98 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 O-C-N 120.858 -1.152 . . . . 0.0 111.402 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.553 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -78.61 -27.39 45.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.452 -0.78 . . . . 0.0 110.141 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.15 63.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.96 -1.087 . . . . 0.0 110.107 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.15 -39.2 10.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.369 -0.832 . . . . 0.0 109.454 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.5 t -61.47 -46.84 88.34 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.062 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.483 HG13 ' N ' ' B' ' 84' ' ' ALA . 7.7 p -77.04 -40.92 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.018 -1.051 . . . . 0.0 110.503 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.483 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -59.98 -33.36 71.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.248 -0.908 . . . . 0.0 110.048 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.36 -40.02 85.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.403 -0.81 . . . . 0.0 109.721 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -60.85 -40.12 91.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 110.656 -179.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.0 t30 . . . . . 0 N--CA 1.494 1.727 0 O-C-N 121.029 -1.045 . . . . 0.0 111.151 -179.184 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . 0.425 ' O ' ' OG ' ' C' ' 10' ' ' SER . 81.3 t60 . . . . . 0 N--CA 1.492 1.626 0 CA-C-O 121.077 0.465 . . . . 0.0 111.227 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.88 -49.91 75.86 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.61 -1.306 . . . . 0.0 111.262 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 50.7 tp -73.27 -53.54 10.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.981 -1.075 . . . . 0.0 111.627 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 2.6 mp -70.03 -40.02 75.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.993 -1.067 . . . . 0.0 111.774 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' C' ' 6' ' ' HIS . 24.0 p . . . . . 0 N--CA 1.497 1.876 0 O-C-N 120.402 -1.436 . . . . 0.0 109.662 -179.642 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . 0.411 ' O ' ' CB ' ' D' ' 10' ' ' SER . 81.4 t60 . . . . . 0 N--CA 1.491 1.621 0 CA-C-O 120.995 0.426 . . . . 0.0 111.222 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -60.04 -49.6 77.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.611 -1.306 . . . . 0.0 111.265 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 51.5 tp -73.39 -53.56 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.007 -1.058 . . . . 0.0 111.594 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . 0.544 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.7 mp -70.04 -40.0 75.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.946 -1.096 . . . . 0.0 111.781 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' D' ' 6' ' ' HIS . 23.4 p . . . . . 0 N--CA 1.494 1.774 0 O-C-N 120.33 -1.481 . . . . 0.0 109.579 -179.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p . . . . . 0 N--CA 1.499 1.976 0 N-CA-C 108.684 -0.858 . . . . 0.0 108.684 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.77 -54.86 36.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 110.383 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.559 ' CG ' HG21 ' B' ' 14' ' ' VAL . 82.6 mt -59.39 -40.06 85.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.374 -0.829 . . . . 0.0 110.585 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -42.48 66.4 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.707 HG22 HG21 ' B' ' 10' ' ' THR . 0.3 OUTLIER -71.54 -33.84 69.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.646 179.084 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.09 -52.8 59.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 109.761 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.442 ' CE ' HD21 ' B' ' 86' ' ' ASN . 27.4 ttt -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.262 -0.899 . . . . 0.0 111.009 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.504 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 74.8 mm-40 -62.18 -40.02 94.62 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.966 -1.084 . . . . 0.0 110.547 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.691 HG21 HG22 ' B' ' 6' ' ' THR . 2.3 p -69.92 -44.63 69.23 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.661 0.743 . . . . 0.0 110.479 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 94.6 mt -60.03 -41.91 93.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.85 -0.531 . . . . 0.0 112.131 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mt -82.47 -26.48 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.904 -1.123 . . . . 0.0 111.289 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 -62.48 -40.01 95.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.453 -1.404 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 m -83.57 -35.13 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.788 -0.57 . . . . 0.0 111.275 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.1 m-30 -59.9 -52.62 64.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.883 -1.136 . . . . 0.0 110.73 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -77.27 -24.95 50.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.392 -0.817 . . . . 0.0 111.539 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.28 -60.46 2.22 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.49 -1.381 . . . . 0.0 110.816 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -70.41 -39.69 74.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.833 -1.167 . . . . 0.0 111.436 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 35.0 t -57.08 -18.36 14.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.071 -1.018 . . . . 0.0 110.833 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.99 20.06 9.97 Favored Glycine 0 N--CA 1.504 3.169 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.066 -1.256 . . . . 0.0 109.712 -179.42 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 25.6 p90 . . . . . 0 N--CA 1.5 2.033 0 CA-C-O 122.46 1.124 . . . . 0.0 109.775 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' A' ' 19' ' ' SER . 48.7 tptt -143.27 142.39 31.35 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 28' ' ' LEU . 34.0 tp -94.05 148.18 22.42 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 28.7 t -131.38 165.59 23.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.521 -0.737 . . . . 0.0 109.414 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -57.19 -41.11 78.71 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.726 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -74.46 -32.05 62.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.507 -1.371 . . . . 0.0 109.937 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -75.61 -40.78 55.87 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.695 ' C ' HD23 ' A' ' 33' ' ' LEU . 2.4 tt -59.99 -45.81 91.5 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.583 0.706 . . . . 0.0 111.364 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.611 ' N ' HD23 ' A' ' 33' ' ' LEU . 83.2 tttt -62.56 -44.41 96.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.546 -0.721 . . . . 0.0 112.266 -177.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 56.9 t0 -72.13 -28.77 63.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.358 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.9 tp -62.03 -39.98 94.16 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.548 -0.72 . . . . 0.0 111.513 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.89 -35.26 22.28 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.674 -1.266 . . . . 0.0 113.648 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.487 ' CD ' ' NE2' ' A' ' 48' ' ' GLN . 3.5 pt20 -70.03 -40.05 75.4 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.394 -1.441 . . . . 0.0 110.998 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 69.1 m -78.04 -58.07 3.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.478 -177.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.59 ' CB ' HD12 ' B' ' 4' ' ' LEU . 57.4 mp0 -73.46 -51.24 17.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.295 -0.878 . . . . 0.0 111.089 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -101.8 66.22 1.04 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.081 -1.012 . . . . 0.0 108.712 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.9 t -79.82 -20.85 45.13 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -103.03 -5.22 23.58 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 120.699 -1.251 . . . . 0.0 112.845 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.09 -93.41 0.47 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.629 -1.294 . . . . 0.0 110.073 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.04 130.6 47.53 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.192 -0.943 . . . . 0.0 108.521 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.83 166.88 14.85 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 54' ' ' VAL . 7.5 m -154.82 -38.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.487 ' NE2' ' CD ' ' A' ' 38' ' ' GLN . 97.9 mt-30 -70.13 -35.98 74.46 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.663 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' NZ ' ' OD2' ' A' ' 50' ' ' ASP . 18.9 pttp -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.533 -1.354 . . . . 0.0 110.724 -177.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 86.5 m-20 -123.67 120.31 32.37 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.397 -0.814 . . . . 0.0 110.18 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.89 -32.25 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 3.3 p30 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.96 -39.95 94.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.283 -0.886 . . . . 0.0 110.836 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 47' ' ' VAL . 54.6 t -69.99 -56.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.309 -0.87 . . . . 0.0 112.281 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 65.8 t0 -64.74 -41.51 95.89 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 120.661 -1.274 . . . . 0.0 111.311 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.01 -38.77 76.05 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.905 -1.122 . . . . 0.0 111.639 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 88.7 mt -76.28 -53.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.181 -0.949 . . . . 0.0 110.288 -178.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -44.46 96.85 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 112.665 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -70.03 -37.71 75.66 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.642 -1.286 . . . . 0.0 109.895 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -86.94 -15.96 37.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.047 -1.033 . . . . 0.0 108.904 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.467 ' C ' ' H ' ' A' ' 63' ' ' GLU . 54.0 tp -89.88 -15.61 31.81 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.579 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 10.2 t70 -92.13 51.14 1.75 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 102.695 -3.076 . . . . 0.0 102.695 174.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.2 tt0 -49.42 -26.03 2.98 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 110.472 -3.058 . . . . 0.0 111.032 -177.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -82.44 -2.36 52.96 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.34 32.35 83.89 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.108 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 15.6 p-10 -99.02 -11.91 21.07 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.845 -1.385 . . . . 0.0 109.785 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.579 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.92 -11.63 46.87 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.816 -1.177 . . . . 0.0 110.549 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 96.9 mt-10 -126.91 141.2 51.87 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.939 HG12 ' H ' ' A' ' 71' ' ' PHE . 53.3 t -102.27 143.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.605 -0.684 . . . . 0.0 109.962 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 48.7 t0 -90.68 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.939 ' H ' HG12 ' A' ' 69' ' ' VAL . 38.3 m-85 101.92 -25.27 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.25 -40.14 74.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.576 -1.327 . . . . 0.0 108.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HB2' HG13 ' A' ' 69' ' ' VAL . 96.0 mt-10 -72.09 -41.52 67.2 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.703 0.763 . . . . 0.0 110.703 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 78' ' ' VAL . 35.6 t80 -65.74 -51.6 57.92 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.581 -0.7 . . . . 0.0 112.442 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 76' ' ' VAL . 7.9 p -60.22 -39.92 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.821 -0.549 . . . . 0.0 112.203 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.485 ' N ' HG13 ' A' ' 75' ' ' VAL . 42.5 t -66.18 -59.16 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.33 -0.857 . . . . 0.0 111.849 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.4 tp -66.51 -42.69 86.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.037 -1.039 . . . . 0.0 113.172 -175.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 74' ' ' PHE . 17.4 m -64.24 -39.96 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -0.962 . . . . 0.0 111.663 -177.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.581 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.8 -28.94 63.94 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.467 -0.771 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.23 -26.81 66.71 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.46 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 84.9 mt -87.86 -23.01 24.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.235 -0.915 . . . . 0.0 108.787 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -65.82 -53.89 34.1 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.99 -1.084 . . . . 0.0 109.663 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.35 -40.29 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.404 -0.81 . . . . 0.0 110.619 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.459 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 90.5 m -65.31 -39.99 93.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.339 -0.851 . . . . 0.0 109.574 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.52 HD21 ' CE ' ' B' ' 8' ' ' MET . 98.5 m-20 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.493 1.703 0 O-C-N 121.27 -0.894 . . . . 0.0 110.614 -179.044 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.498 1.944 0 N-CA-C 108.627 -0.879 . . . . 0.0 108.627 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.61 -54.74 38.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.416 -0.802 . . . . 0.0 110.4 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.59 HD12 ' CB ' ' A' ' 40' ' ' GLU . 83.7 mt -59.83 -39.98 86.96 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.263 -0.898 . . . . 0.0 110.37 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -52.94 -43.06 66.02 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.691 HG22 HG21 ' A' ' 10' ' ' THR . 0.3 OUTLIER -71.07 -32.63 69.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.461 178.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -55.79 -51.82 66.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.841 -1.162 . . . . 0.0 109.532 -176.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.52 ' CE ' HD21 ' A' ' 86' ' ' ASN . 27.4 ttt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.58 -0.7 . . . . 0.0 110.928 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.505 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.8 mm-40 -62.24 -40.07 94.92 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.917 -1.115 . . . . 0.0 110.446 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.707 HG21 HG22 ' A' ' 6' ' ' THR . 2.8 p -69.96 -44.61 69.16 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.577 0.703 . . . . 0.0 110.407 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.0 mt -60.03 -41.63 92.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.855 -0.528 . . . . 0.0 112.165 -178.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.92 -28.92 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.746 -1.221 . . . . 0.0 110.963 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.2 m-20 -60.33 -40.05 89.24 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.66 -1.275 . . . . 0.0 109.904 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.568 HG22 ' O ' ' B' ' 10' ' ' THR . 2.1 m -84.14 -34.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.2 m-30 -59.94 -52.28 66.08 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.011 -1.055 . . . . 0.0 110.709 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -77.56 -24.66 49.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.383 -0.823 . . . . 0.0 111.551 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.59 -60.77 2.07 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.559 -1.338 . . . . 0.0 110.708 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -70.1 -39.78 75.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.746 -1.221 . . . . 0.0 111.412 -178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 34.8 t -56.88 -18.42 13.08 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.026 -1.046 . . . . 0.0 110.859 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.01 19.79 10.04 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? . . . . . 0 N--CA 1.492 1.655 0 O-C-N 121.128 -1.219 . . . . 0.0 109.839 -179.387 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 24.9 p90 . . . . . 0 N--CA 1.501 2.091 0 CA-C-O 122.386 1.089 . . . . 0.0 109.727 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' B' ' 19' ' ' SER . 49.2 tptt -143.34 142.41 31.29 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 28' ' ' LEU . 33.6 tp -93.99 148.2 22.39 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 29.2 t -131.93 164.39 26.23 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.576 -0.702 . . . . 0.0 109.47 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -56.1 -41.14 74.76 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.704 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.16 -31.24 60.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.431 -1.418 . . . . 0.0 109.763 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.499 ' HB2' ' H ' ' B' ' 29' ' ' SER . 99.3 mt-10 -75.7 -40.66 55.37 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.696 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.4 tt -60.01 -46.2 90.28 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.609 0.719 . . . . 0.0 111.272 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.621 ' N ' HD23 ' B' ' 33' ' ' LEU . 82.9 tttt -62.01 -44.67 96.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 112.282 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.8 t0 -72.18 -28.55 63.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.983 -1.073 . . . . 0.0 109.38 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.457 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.6 tp -62.13 -40.02 94.52 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 111.577 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.74 -35.89 22.15 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.676 -1.265 . . . . 0.0 113.53 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.47 ' CD ' ' NE2' ' B' ' 48' ' ' GLN . 3.5 pt20 -69.54 -39.97 77.16 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.368 -1.458 . . . . 0.0 111.058 -177.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 63.4 m -78.06 -58.29 3.34 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.409 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.559 ' CB ' HD12 ' A' ' 4' ' ' LEU . 57.7 mp0 -73.43 -51.1 18.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 111.126 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mt -101.88 66.27 1.03 Allowed 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.083 -1.01 . . . . 0.0 108.66 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -79.98 -20.52 45.33 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -103.36 -4.65 23.88 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.749 -1.219 . . . . 0.0 112.864 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.47 -93.43 0.47 Allowed 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.803 -1.186 . . . . 0.0 110.012 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.1 130.81 48.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.04 166.83 15.07 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' B' ' 54' ' ' VAL . 6.6 m -154.87 -38.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.478 ' N ' HG23 ' B' ' 47' ' ' VAL . 97.8 mt-30 -70.07 -36.13 74.72 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.73 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.495 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 18.8 pttp -59.8 -39.95 86.69 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.558 -1.339 . . . . 0.0 110.707 -177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.495 ' OD2' ' NZ ' ' B' ' 49' ' ' LYS . 86.7 m-20 -123.8 120.09 31.63 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.308 -0.87 . . . . 0.0 110.246 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.8 71.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 3.3 p30 -62.22 -34.21 76.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.2 -37.11 84.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.458 -0.776 . . . . 0.0 111.156 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.557 HG22 ' HB ' ' B' ' 47' ' ' VAL . 56.7 t -72.25 -56.5 9.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 O-C-N 121.193 -0.942 . . . . 0.0 112.201 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.75 -41.49 95.88 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.817 -1.177 . . . . 0.0 111.278 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.05 -38.77 75.89 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.026 -1.046 . . . . 0.0 111.543 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' B' ' 61' ' ' LEU . 88.7 mt -76.35 -53.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -45.08 96.17 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.0 -37.64 75.74 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.728 -1.232 . . . . 0.0 109.968 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -86.89 -16.0 37.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 108.908 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' B' ' 63' ' ' GLU . 55.1 tp -89.91 -15.52 31.92 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 10.2 t70 -92.16 51.19 1.75 Allowed 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 102.661 -3.089 . . . . 0.0 102.661 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.0 tt0 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 110.393 -3.094 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -82.37 -2.63 53.55 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.32 32.27 83.65 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.078 177.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 16.4 p-10 -98.72 -12.0 21.4 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.79 -1.418 . . . . 0.0 109.678 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.59 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.83 -11.54 46.73 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.406 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.5 mt-10 -126.44 142.47 51.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.95 HG12 ' H ' ' B' ' 71' ' ' PHE . 53.8 t -103.06 144.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.432 -0.793 . . . . 0.0 109.848 -178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 48.8 t0 -90.65 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.071 -1.018 . . . . 0.0 109.912 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.95 ' H ' HG12 ' B' ' 69' ' ' VAL . 38.0 m-85 101.81 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.18 -40.15 74.82 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.601 -1.312 . . . . 0.0 108.682 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.508 ' HB2' HG13 ' B' ' 69' ' ' VAL . 96.3 mt-10 -72.08 -41.38 67.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.486 -0.759 . . . . 0.0 110.725 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.682 ' O ' HG22 ' B' ' 78' ' ' VAL . 36.6 t80 -65.89 -51.84 55.27 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.611 -0.681 . . . . 0.0 112.364 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.492 HG13 ' N ' ' B' ' 76' ' ' VAL . 7.9 p -59.96 -40.09 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.888 -0.508 . . . . 0.0 112.137 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.492 ' N ' HG13 ' B' ' 75' ' ' VAL . 41.4 t -66.1 -59.33 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.219 -0.925 . . . . 0.0 111.834 -177.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tp -66.23 -42.82 88.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.065 -1.022 . . . . 0.0 113.124 -175.747 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.682 HG22 ' O ' ' B' ' 74' ' ' PHE . 17.0 m -64.3 -39.67 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.033 -1.042 . . . . 0.0 111.596 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.583 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.96 -29.14 63.96 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.492 -0.755 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -20.96 64.58 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.475 -0.766 . . . . 0.0 108.948 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 89.8 mt -92.72 -22.85 19.15 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.11 -53.48 37.42 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.918 -1.113 . . . . 0.0 109.604 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.415 ' H ' HG23 ' B' ' 83' ' ' VAL . 2.1 t -79.69 -40.36 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.251 -0.905 . . . . 0.0 110.705 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.46 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 93.8 m -65.26 -39.98 93.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.494 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.442 HD21 ' CE ' ' A' ' 8' ' ' MET . 98.6 m-20 -60.12 -39.96 88.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -0.88 . . . . 0.0 109.723 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 . . . . . 0 N--CA 1.492 1.675 0 O-C-N 121.142 -0.974 . . . . 0.0 110.664 -179.161 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 35.6 m170 . . . . . 0 N--CA 1.491 1.597 0 N-CA-C 108.863 -0.792 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -55.45 32.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 110.617 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -70.68 -41.89 71.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.675 -1.265 . . . . 0.0 110.786 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -40.85 96.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.955 . . . . 0.0 109.146 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 53.9 m . . . . . 0 C--N 1.3 -1.576 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.767 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 35.3 m170 . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 108.91 -0.774 . . . . 0.0 108.91 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -54.91 39.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 tp -71.21 -42.53 68.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.618 -1.301 . . . . 0.0 110.393 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.49 -41.08 98.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.101 -0.999 . . . . 0.0 109.147 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 56.5 m . . . . . 0 C--N 1.302 -1.486 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.935 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p . . . . . 0 N--CA 1.499 1.993 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.443 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.4 mt-10 -70.12 -56.77 6.04 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 5.3 tt -46.85 -34.04 5.02 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.123 -1.611 . . . . 0.0 110.346 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -47.26 -42.78 21.25 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.313 1.054 . . . . 0.0 108.191 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 10' ' ' THR . 68.2 p -60.06 -36.15 76.71 Favored 'General case' 0 C--O 1.199 -1.561 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -50.42 -54.25 23.33 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.501 -0.75 . . . . 0.0 111.472 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.1 -48.12 83.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.558 -1.339 . . . . 0.0 112.171 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.0 -26.86 63.32 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.714 -1.241 . . . . 0.0 114.021 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 11' ' ' LEU . 4.3 t -77.82 -49.16 14.85 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.082 -1.636 . . . . 0.0 111.395 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' HG23 ' A' ' 10' ' ' THR . 1.4 pp -69.4 -34.35 74.36 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.046 -1.034 . . . . 0.0 111.777 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -76.31 -30.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.419 -1.426 . . . . 0.0 110.632 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -62.48 -40.1 95.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.29 -1.506 . . . . 0.0 109.196 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 19.7 m -76.47 -31.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.617 0.723 . . . . 0.0 109.642 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -59.96 -49.83 76.15 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.817 0.818 . . . . 0.0 110.463 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -78.37 -22.66 47.57 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.762 -0.586 . . . . 0.0 111.277 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.92 2.56 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.559 -1.338 . . . . 0.0 111.189 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.561 ' HB2' HD21 ' A' ' 36' ' ' LEU . 77.1 m80 -67.96 -40.02 83.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.545 -1.347 . . . . 0.0 110.185 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -64.74 -13.86 56.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 0.0 110.802 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 12.85 60.63 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm . . . . . 0 C--N 1.306 -1.288 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.943 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 40.7 p90 . . . . . 0 N--CA 1.5 2.034 0 N-CA-C 112.592 0.59 . . . . 0.0 112.592 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -141.19 140.14 33.96 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.26 157.27 16.04 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.593 -1.317 . . . . 0.0 111.151 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 96.2 p -125.03 159.91 30.23 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.477 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 79.0 tttt -43.84 -39.59 3.95 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.952 -1.092 . . . . 0.0 111.734 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.34 -25.17 36.61 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.775 -1.203 . . . . 0.0 112.776 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' A' ' 29' ' ' SER . 41.0 mt-10 -77.34 -39.98 45.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.47 -1.394 . . . . 0.0 110.681 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.406 HD22 HG21 ' A' ' 69' ' ' VAL . 2.7 pp -75.19 -36.88 61.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.444 -0.785 . . . . 0.0 110.162 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.94 -40.4 88.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 0.0 110.664 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.89 -25.58 59.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.138 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 18' ' ' HIS . 14.4 mt -71.08 -38.46 72.43 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.924 -1.11 . . . . 0.0 112.251 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 45' ' ' LEU . 17.3 mt -78.11 -39.99 39.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.69 -1.256 . . . . 0.0 111.269 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.501 ' NE2' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -66.42 -37.55 85.46 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.823 -1.173 . . . . 0.0 109.339 -179.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.2 m -76.77 -52.83 8.84 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.746 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.453 ' OE2' ' CG2' ' A' ' 14' ' ' VAL . 97.3 mt-10 -69.78 -47.29 63.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.702 -0.624 . . . . 0.0 111.953 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.59 68.3 0.66 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.118 -0.989 . . . . 0.0 110.144 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.5 t -76.98 138.72 39.81 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER 78.61 -8.08 1.7 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.503 -0.748 . . . . 0.0 110.716 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -113.66 -85.58 0.59 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.782 HD12 HG13 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -76.4 136.7 39.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.207 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -118.6 151.2 38.36 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.885 -1.134 . . . . 0.0 108.627 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.457 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 3.2 m -152.61 -38.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 25.5 mt-30 -74.11 -40.27 62.8 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.155 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -64.67 -45.7 85.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.163 -0.961 . . . . 0.0 110.771 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -107.64 110.56 22.46 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.716 0.769 . . . . 0.0 110.751 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.45 69.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 17.2 p-10 -67.8 -23.9 65.24 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.91 -39.94 65.92 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.172 -0.955 . . . . 0.0 110.543 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 12.6 t -69.72 -52.62 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.446 -0.784 . . . . 0.0 111.479 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.477 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.0 m-20 -59.89 -39.89 86.88 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 120.669 -1.269 . . . . 0.0 110.42 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -39.33 75.5 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.054 -1.029 . . . . 0.0 112.101 -177.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -81.54 -52.87 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.219 -1.55 . . . . 0.0 109.842 -179.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 tmt? -60.27 -47.92 83.93 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.482 -0.761 . . . . 0.0 112.349 -177.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.51 -36.59 79.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.43 -1.419 . . . . 0.0 109.831 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.09 -16.65 32.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.021 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' ILE . 60.2 tp -86.64 -12.98 46.92 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 65' ' ' GLY . 41.6 t0 -98.59 43.62 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 173.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 61' ' ' LEU . 48.3 tp10 -37.57 -19.41 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 110.512 -3.04 . . . . 0.0 110.817 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 62' ' ' ASP . 20.5 m120 -85.61 0.12 53.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.615 -1.303 . . . . 0.0 107.943 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.01 38.11 94.99 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 121.179 -0.534 . . . . 0.0 111.839 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.9 p30 -102.13 -9.74 20.26 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.401 . . . . 0.0 110.719 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 83.06 -9.28 60.88 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 120.581 -1.324 . . . . 0.0 110.761 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 65.1 mt-10 -118.91 144.4 46.44 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.406 HG21 HD22 ' A' ' 33' ' ' LEU . 53.0 t -106.97 134.16 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.058 -1.027 . . . . 0.0 111.12 -177.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 14.5 t70 -84.78 160.39 20.26 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 50.6 p90 -60.43 -39.63 88.17 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.024 -1.048 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.48 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.2 tt0 -61.15 -40.01 92.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.504 -1.372 . . . . 0.0 110.473 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.717 -1.24 . . . . 0.0 111.362 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -67.1 -49.6 64.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.011 -1.056 . . . . 0.0 111.396 -178.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.604 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 8.4 p -59.91 -37.38 71.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 121.198 -0.939 . . . . 0.0 111.984 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.89 -60.8 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.722 -1.236 . . . . 0.0 111.466 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 3.8 tp -65.65 -48.92 70.53 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.919 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.782 HG13 HD12 ' A' ' 45' ' ' LEU . 69.9 t -60.17 -39.81 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 O-C-N 121.306 -0.872 . . . . 0.0 111.542 -178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -69.69 -24.5 63.6 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.282 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.79 59.37 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.326 -0.859 . . . . 0.0 110.591 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 50.3 mt -90.93 -47.01 7.84 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.912 -1.117 . . . . 0.0 111.075 -178.441 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 83' ' ' VAL . 6.4 t -60.56 -47.84 84.41 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.103 -0.998 . . . . 0.0 110.186 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.554 ' N ' HG23 ' A' ' 82' ' ' THR . 9.2 p -67.07 -39.93 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.093 -1.004 . . . . 0.0 109.541 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.475 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -65.59 -23.92 66.95 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.682 -0.636 . . . . 0.0 109.864 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -70.05 -40.05 75.35 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.994 -1.066 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -62.39 -40.24 95.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 110.371 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 . . . . . 0 N--CA 1.495 1.803 0 O-C-N 121.098 -1.001 . . . . 0.0 110.441 -179.263 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p . . . . . 0 N--CA 1.5 2.051 0 CA-C-O 121.452 0.644 . . . . 0.0 109.439 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' B' ' 4' ' ' LEU . 98.5 mt-10 -70.07 -56.53 6.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.084 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' B' ' 7' ' ' ALA . 5.7 tt -47.36 -33.81 6.25 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.1 -1.625 . . . . 0.0 110.262 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -47.06 -42.9 19.49 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 122.503 1.144 . . . . 0.0 108.196 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.466 ' O ' HG22 ' B' ' 10' ' ' THR . 66.5 p -60.03 -35.07 74.3 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 4' ' ' LEU . . . -51.28 -53.69 33.26 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.101 0.953 . . . . 0.0 111.464 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.24 -48.82 80.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.879 -1.138 . . . . 0.0 111.958 -177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.58 -27.26 63.98 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.772 -1.205 . . . . 0.0 114.079 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.539 HG23 ' N ' ' B' ' 11' ' ' LEU . 4.4 t -77.53 -49.62 14.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 119.935 -1.728 . . . . 0.0 111.172 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.539 ' N ' HG23 ' B' ' 10' ' ' THR . 1.7 pp -68.74 -34.74 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.049 -1.032 . . . . 0.0 111.858 -177.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.03 -33.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.201 -1.562 . . . . 0.0 110.347 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.02 -40.13 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.601 -1.312 . . . . 0.0 109.031 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.435 ' CG2' ' OE2' ' B' ' 40' ' ' GLU . 16.9 m -76.92 -31.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 CA-C-O 121.739 0.781 . . . . 0.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.2 -49.71 76.53 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.715 0.769 . . . . 0.0 110.434 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.41 ' HA ' ' HG ' ' B' ' 19' ' ' SER . 53.9 t-80 -78.54 -22.22 47.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.726 -0.608 . . . . 0.0 111.376 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -59.9 2.58 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.673 -1.267 . . . . 0.0 111.217 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.575 ' HB2' HD21 ' B' ' 36' ' ' LEU . 76.9 m80 -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.603 -1.311 . . . . 0.0 110.361 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.41 ' HG ' ' HA ' ' B' ' 16' ' ' HIS . 74.2 p -64.92 -13.55 57.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.655 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.88 12.35 60.84 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm . . . . . 0 N--CA 1.485 1.313 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.086 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 39.0 p90 . . . . . 0 N--CA 1.499 1.994 0 N-CA-C 112.627 0.603 . . . . 0.0 112.627 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -142.04 140.32 32.58 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.27 157.19 16.09 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.684 -1.26 . . . . 0.0 111.132 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.496 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 88.6 p -125.05 159.76 30.61 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.423 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 78.3 tttt -43.77 -39.75 3.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.907 -1.121 . . . . 0.0 111.74 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -80.48 -25.38 38.84 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.805 -1.185 . . . . 0.0 112.666 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.496 ' HB2' ' H ' ' B' ' 29' ' ' SER . 41.1 mt-10 -77.52 -40.01 44.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.512 -1.367 . . . . 0.0 110.871 -178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.413 HD22 HG21 ' B' ' 69' ' ' VAL . 2.6 pp -75.28 -36.93 61.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.9 -40.23 88.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.065 -1.022 . . . . 0.0 110.752 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.97 -25.29 58.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.814 -1.179 . . . . 0.0 110.286 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' B' ' 18' ' ' HIS . 14.3 mt -71.44 -38.12 71.37 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.918 -1.114 . . . . 0.0 112.31 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' B' ' 45' ' ' LEU . 15.9 mt -78.26 -41.02 35.33 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.591 -1.318 . . . . 0.0 110.934 -177.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.496 ' NE2' ' C ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -64.85 -37.81 88.87 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.992 -1.067 . . . . 0.0 109.273 -179.188 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.92 -52.89 8.62 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.692 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.435 ' OE2' ' CG2' ' B' ' 14' ' ' VAL . 97.2 mt-10 -69.93 -47.02 64.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.689 -0.632 . . . . 0.0 111.992 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mt -111.64 68.02 0.66 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.209 -0.932 . . . . 0.0 110.111 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' B' ' 43' ' ' SER . 44.9 t -76.7 138.39 39.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 78.93 -7.78 1.73 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.429 -0.794 . . . . 0.0 110.809 178.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -113.99 -85.91 0.59 Allowed 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.768 HD12 HG13 ' B' ' 78' ' ' VAL . 0.1 OUTLIER -76.06 137.09 39.96 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 106.959 -1.496 . . . . 0.0 106.959 178.16 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -118.7 151.27 38.28 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.001 -1.062 . . . . 0.0 108.612 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.441 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 3.1 m -152.41 -39.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.431 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 26.1 mt-30 -73.94 -40.09 63.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.4 -46.03 85.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.052 -1.03 . . . . 0.0 110.759 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -107.65 110.08 21.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 0.0 110.777 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.13 69.98 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 17.1 p-10 -67.62 -24.4 65.46 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.199 -0.938 . . . . 0.0 108.656 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -39.68 66.87 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.305 -0.872 . . . . 0.0 110.735 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 17.1 t -70.07 -52.75 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.358 -0.839 . . . . 0.0 111.426 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.423 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 98.1 m-20 -59.98 -39.96 87.47 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.833 -1.167 . . . . 0.0 110.378 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -39.66 75.7 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.838 -1.164 . . . . 0.0 112.199 -177.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.1 pp -80.61 -53.39 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 120.012 -1.68 . . . . 0.0 109.765 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.467 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 tmt? -60.21 -47.56 85.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.518 -0.739 . . . . 0.0 112.526 -176.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.48 -36.42 78.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.472 -1.393 . . . . 0.0 109.753 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -88.62 -16.6 32.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.061 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' B' ' 57' ' ' ILE . 64.3 tp -86.49 -12.86 47.72 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 65' ' ' GLY . 42.0 t0 -98.47 43.72 1.05 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 173.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 61' ' ' LEU . 48.7 tp10 -37.21 -19.85 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 110.478 -3.055 . . . . 0.0 110.839 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' B' ' 62' ' ' ASP . 20.4 m120 -85.43 -0.02 53.62 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.562 -1.336 . . . . 0.0 108.012 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.88 37.78 94.29 Favored Glycine 0 N--CA 1.492 2.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.858 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.9 p30 -101.27 -10.01 20.72 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.858 -1.378 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 83.03 -8.67 62.59 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 120.683 -1.26 . . . . 0.0 110.671 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.578 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 64.4 mt-10 -119.53 144.31 47.11 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.413 HG21 HD22 ' B' ' 33' ' ' LEU . 54.8 t -106.32 133.79 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.019 -1.051 . . . . 0.0 111.396 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.417 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 14.4 t70 -84.06 160.58 20.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 50.7 p90 -60.64 -39.8 89.65 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.937 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.471 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 60.7 tt0 -61.12 -40.03 92.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.528 -1.357 . . . . 0.0 110.304 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.78 -40.03 76.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.738 -1.226 . . . . 0.0 111.381 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -66.84 -50.03 63.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.166 -0.959 . . . . 0.0 111.376 -178.433 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.585 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 8.6 p -60.06 -36.93 70.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.271 -0.893 . . . . 0.0 112.077 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.64 -60.6 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.669 -1.269 . . . . 0.0 111.502 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.3 tp -65.47 -48.91 71.03 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.728 -1.232 . . . . 0.0 111.769 -177.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.768 HG13 HD12 ' B' ' 45' ' ' LEU . 75.4 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.305 -0.872 . . . . 0.0 111.805 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.491 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -69.82 -24.29 63.45 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.361 -0.837 . . . . 0.0 109.279 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -20.18 59.4 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.0 110.818 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 57.3 mt -93.96 -46.72 7.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.806 -1.184 . . . . 0.0 110.55 -179.231 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.7 t -60.6 -47.68 85.11 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.522 ' N ' HG23 ' B' ' 82' ' ' THR . 8.5 p -67.59 -39.95 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.213 -0.929 . . . . 0.0 109.309 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.471 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -64.79 -24.5 67.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.685 -0.634 . . . . 0.0 110.012 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.09 -39.92 75.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.082 -1.011 . . . . 0.0 109.861 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -62.47 -40.04 95.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.037 -1.04 . . . . 0.0 110.306 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 N--CA 1.494 1.77 0 O-C-N 121.064 -1.022 . . . . 0.0 110.515 -179.188 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m170 . . . . . 0 N--CA 1.492 1.649 0 CA-C-O 121.323 0.582 . . . . 0.0 110.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -60.11 -50.44 73.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.33 -0.856 . . . . 0.0 111.438 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.09 -50.01 73.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.735 -1.228 . . . . 0.0 111.359 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.1 -39.04 91.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.886 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.079 -179.388 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 m170 . . . . . 0 N--CA 1.493 1.677 0 CA-C-O 121.451 0.643 . . . . 0.0 109.908 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.98 -50.65 72.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 0.0 111.557 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.07 -49.95 73.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.835 -1.166 . . . . 0.0 111.409 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.85 -39.18 90.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.128 -0.983 . . . . 0.0 109.801 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.202 -179.385 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t . . . . . 0 N--CA 1.498 1.951 0 N-CA-C 109.518 -0.549 . . . . 0.0 109.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.519 ' OE2' ' ND2' ' B' ' 13' ' ' ASN . 98.0 mt-10 -59.96 -55.48 33.52 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 110.386 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.618 HD12 ' CB ' ' B' ' 40' ' ' GLU . 97.4 mt -60.03 -38.67 83.4 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.993 -1.067 . . . . 0.0 110.705 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.44 -43.52 68.1 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.723 -1.236 . . . . 0.0 108.519 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.5 p -70.36 -36.84 74.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.354 -0.841 . . . . 0.0 110.353 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -52.09 -56.17 16.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.763 -178.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mmm -60.01 -34.2 73.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.981 -1.075 . . . . 0.0 110.105 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.34 -40.02 95.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 110.191 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.428 HG21 ' OG1' ' B' ' 6' ' ' THR . 19.8 p -69.11 -46.58 67.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.588 0.709 . . . . 0.0 110.916 -178.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 84.5 mt -60.9 -49.83 75.87 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.514 0.673 . . . . 0.0 111.627 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.14 -39.84 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.364 -0.835 . . . . 0.0 112.048 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.523 ' ND2' ' OE2' ' B' ' 3' ' ' GLU . 57.0 t-20 -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.27 -1.519 . . . . 0.0 110.798 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' HG2' ' A' ' 40' ' ' GLU . 7.4 p -81.02 -29.85 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.3 -0.875 . . . . 0.0 110.823 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.5 m-30 -61.41 -55.72 28.31 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.832 -1.167 . . . . 0.0 111.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -75.7 -24.25 56.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.454 -0.779 . . . . 0.0 112.056 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.95 -60.23 2.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.596 -1.315 . . . . 0.0 110.874 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.44 -39.96 81.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.948 -1.095 . . . . 0.0 111.07 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -63.62 -19.82 65.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 112.34 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.76 19.52 33.14 Favored Glycine 0 N--CA 1.503 3.157 0 O-C-N 121.074 -1.016 . . . . 0.0 111.144 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt . . . . . 0 N--CA 1.495 1.78 0 O-C-N 120.678 -1.484 . . . . 0.0 109.402 179.283 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 21.5 p90 . . . . . 0 N--CA 1.502 2.144 0 CA-C-O 122.234 1.016 . . . . 0.0 110.132 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 142.67 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 71' ' ' PHE . 7.0 tp -95.47 147.4 23.58 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.688 -1.258 . . . . 0.0 108.327 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.537 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 53.7 m -130.83 162.44 29.58 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -50.33 -46.27 55.45 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.579 -1.248 . . . . 0.0 110.663 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.06 -34.33 74.99 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.855 -1.153 . . . . 0.0 110.996 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HB2' ' H ' ' A' ' 29' ' ' SER . 97.7 mt-10 -73.96 -36.8 64.63 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.982 0.896 . . . . 0.0 108.594 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.07 -51.07 71.22 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -70.72 -36.48 73.24 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.93 -1.106 . . . . 0.0 112.575 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -68.26 -35.78 78.41 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 14' ' ' VAL . 42.9 tp -61.93 -38.69 89.4 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.7 -0.625 . . . . 0.0 111.801 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 74' ' ' PHE . 89.4 mt -83.93 -37.55 22.17 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.765 -1.209 . . . . 0.0 112.731 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.8 pp0? -70.06 -33.14 71.55 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.71 -1.244 . . . . 0.0 110.403 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 53.4 m -75.36 -48.56 22.45 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.521 -0.737 . . . . 0.0 111.686 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.571 ' CB ' HD12 ' B' ' 4' ' ' LEU . 58.1 mp0 -97.88 -46.29 5.99 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.101 -0.999 . . . . 0.0 111.97 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 HD13 ' B' ' 4' ' ' LEU . 1.7 mt -100.85 78.78 1.98 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.783 -1.198 . . . . 0.0 109.221 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' SER . 39.3 m -90.74 142.21 27.99 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.3 p 78.44 -3.27 2.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.521 -0.737 . . . . 0.0 111.103 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -104.06 -78.58 0.56 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.425 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -89.11 130.44 35.55 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 177.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CG ' ' NZ ' ' A' ' 49' ' ' LYS . 84.4 m-20 -121.59 77.19 1.32 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.971 0.891 . . . . 0.0 110.253 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 54' ' ' VAL . 4.2 m -78.31 -39.67 24.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 121.827 0.822 . . . . 0.0 110.774 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.559 ' N ' HG23 ' A' ' 47' ' ' VAL . 97.7 mt-30 -60.08 -50.07 75.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.55 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -74.43 -37.12 63.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.661 -1.274 . . . . 0.0 110.134 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 54' ' ' VAL . 87.8 m-20 -90.18 88.87 7.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.983 -1.073 . . . . 0.0 109.763 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.27 92.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.566 -0.709 . . . . 0.0 109.585 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 90.4 m-20 -59.82 -39.38 84.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.336 -0.852 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -64.63 -40.04 94.77 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.648 -0.658 . . . . 0.0 111.848 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 47' ' ' VAL . 22.3 t -68.91 -56.9 10.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 120.849 -1.157 . . . . 0.0 112.19 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.22 -40.97 97.14 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.843 -1.16 . . . . 0.0 111.17 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 36.2 mmtm -69.43 -40.03 77.48 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.536 -0.728 . . . . 0.0 111.91 -177.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.9 mt -78.99 -51.98 16.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.485 -0.759 . . . . 0.0 111.479 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.536 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -64.2 -43.36 95.28 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.143 -177.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.89 -36.26 81.88 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.914 -1.116 . . . . 0.0 108.845 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.87 -17.33 31.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.543 ' C ' ' H ' ' A' ' 63' ' ' GLU . 49.8 tp -86.66 -19.86 28.65 Favored 'General case' 0 N--CA 1.506 2.342 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 65' ' ' GLY . 21.7 m-20 -89.26 48.0 1.56 Allowed 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 102.909 -2.997 . . . . 0.0 102.909 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 61' ' ' LEU . 49.4 tp10 -43.46 -20.17 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 111.352 -2.658 . . . . 0.0 109.776 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' ASP . 79.6 m-20 -87.95 -0.17 56.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.724 -1.235 . . . . 0.0 108.204 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.607 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.85 38.17 95.21 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 27.3 p-10 -101.0 -17.45 16.74 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.887 -1.36 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.76 -10.34 62.7 Favored Glycine 0 N--CA 1.501 3.004 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 49.5 mt-10 -119.18 139.13 52.35 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 68.4 t -103.99 132.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.7 m-20 -86.2 124.06 32.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 109.009 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' A' ' 70' ' ' ASP . 87.0 m-85 -28.66 -35.04 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 O-C-N 122.107 -0.371 . . . . 0.0 111.715 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.7 tt0 -60.54 -40.86 93.09 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.456 -1.403 . . . . 0.0 109.502 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.3 mt-10 -66.26 -39.94 89.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.986 -1.071 . . . . 0.0 109.406 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 37' ' ' LEU . 16.9 t80 -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.86 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.4 p -69.81 -34.64 61.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 O-C-N 120.93 -1.106 . . . . 0.0 110.842 -178.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.34 -60.56 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.739 -1.226 . . . . 0.0 112.028 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.99 -40.72 64.99 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.822 -1.174 . . . . 0.0 112.723 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 t -67.44 -39.76 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.62 -1.3 . . . . 0.0 109.741 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -75.3 -25.49 57.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.572 -0.705 . . . . 0.0 109.813 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.73 -25.09 65.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.932 -1.105 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -91.87 -37.43 12.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 109.68 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.7 p -62.0 -48.56 79.79 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.57 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.6 p -74.04 -40.9 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.545 -0.722 . . . . 0.0 110.709 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.513 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.09 -34.15 74.48 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.354 -0.841 . . . . 0.0 111.139 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.68 -47.22 55.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.2 t30 -60.12 -41.7 93.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.036 -179.313 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.298 -0.876 . . . . 0.0 110.505 -179.573 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t . . . . . 0 N--CA 1.497 1.883 0 CA-C-O 121.119 0.485 . . . . 0.0 109.711 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE2' ' ND2' ' A' ' 13' ' ' ASN . 97.2 mt-10 -59.64 -55.79 30.06 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.124 -0.985 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 40' ' ' GLU . 95.2 mt -59.89 -38.41 82.17 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.082 -1.011 . . . . 0.0 110.815 -177.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -53.71 -43.66 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.648 -1.282 . . . . 0.0 108.35 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 35.7 p -70.25 -35.65 73.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -53.09 -55.78 21.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.647 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.9 mmm -60.15 -34.06 73.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.982 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.38 -39.99 94.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.155 -0.966 . . . . 0.0 110.082 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 21.3 p -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.646 0.736 . . . . 0.0 110.831 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.0 mt -60.6 -49.86 75.83 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.616 -0.678 . . . . 0.0 111.719 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.6 mt -70.25 -39.86 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.041 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.519 ' ND2' ' OE2' ' A' ' 3' ' ' GLU . 56.3 t-20 -59.94 -40.1 87.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.325 -1.484 . . . . 0.0 110.355 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.472 HG21 ' HG2' ' B' ' 40' ' ' GLU . 6.7 p -81.02 -29.8 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.351 -0.843 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.7 m-30 -61.44 -55.73 28.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.801 -1.187 . . . . 0.0 111.165 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -75.66 -23.91 56.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.491 -0.756 . . . . 0.0 112.086 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.29 2.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.732 -1.23 . . . . 0.0 110.895 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.008 -1.058 . . . . 0.0 111.069 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.3 p -63.39 -20.02 65.17 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.383 -0.823 . . . . 0.0 112.255 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.32 19.12 34.9 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.077 -1.014 . . . . 0.0 111.19 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt . . . . . 0 N--CA 1.494 1.742 0 O-C-N 120.548 -1.56 . . . . 0.0 109.669 179.584 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 21.4 p90 . . . . . 0 N--CA 1.502 2.164 0 CA-C-O 122.301 1.048 . . . . 0.0 110.007 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 142.69 32.3 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' B' ' 71' ' ' PHE . 7.0 tp -95.37 147.19 23.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.709 -1.244 . . . . 0.0 108.372 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.551 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 54.6 m -130.22 162.96 27.76 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -50.78 -46.35 59.51 Favored 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 118.441 -1.303 . . . . 0.0 110.618 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.52 -33.8 73.33 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.819 -1.176 . . . . 0.0 110.846 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.551 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.2 mt-10 -73.99 -36.63 64.53 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.661 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.22 -51.32 70.07 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -70.12 -36.89 75.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.973 -1.08 . . . . 0.0 112.694 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.05 -35.77 78.78 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.719 -1.238 . . . . 0.0 107.737 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.9 -38.71 89.38 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 121.712 -0.618 . . . . 0.0 111.748 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.571 HD21 ' CE2' ' B' ' 74' ' ' PHE . 88.1 mt -83.98 -37.41 22.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.878 -1.139 . . . . 0.0 112.834 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.521 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.8 pp0? -70.03 -33.3 71.81 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.691 -1.256 . . . . 0.0 110.386 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.521 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 55.2 m -75.21 -48.56 22.88 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.531 -0.731 . . . . 0.0 111.679 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.618 ' CB ' HD12 ' A' ' 4' ' ' LEU . 58.1 mp0 -98.0 -46.45 5.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.011 -1.055 . . . . 0.0 111.9 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.443 HD12 HD13 ' A' ' 4' ' ' LEU . 1.7 mt -100.61 78.95 2.04 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.821 -1.174 . . . . 0.0 109.307 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' B' ' 43' ' ' SER . 39.4 m -91.18 142.14 28.05 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.1 p 78.23 -2.67 2.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 111.088 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -104.71 -78.59 0.56 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.426 ' H ' HD22 ' B' ' 45' ' ' LEU . 0.6 OUTLIER -89.09 130.43 35.54 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 177.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.454 ' CG ' ' NZ ' ' B' ' 49' ' ' LYS . 84.3 m-20 -121.62 77.03 1.31 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 0.0 110.308 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.597 ' HB ' HG22 ' B' ' 54' ' ' VAL . 4.2 m -78.1 -39.66 25.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 121.884 0.849 . . . . 0.0 110.889 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.562 ' N ' HG23 ' B' ' 47' ' ' VAL . 97.8 mt-30 -60.03 -49.97 75.55 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -175.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.518 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -74.69 -37.32 62.67 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.695 -1.253 . . . . 0.0 110.146 -179.153 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.427 ' O ' HG23 ' B' ' 54' ' ' VAL . 88.6 m-20 -89.97 88.75 7.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.974 -1.079 . . . . 0.0 109.751 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.75 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.6 -0.688 . . . . 0.0 109.559 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' LYS . 91.1 m-20 -60.05 -39.3 85.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 109.279 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.454 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -65.82 -36.97 84.99 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.71 -0.619 . . . . 0.0 112.379 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.597 HG22 ' HB ' ' B' ' 47' ' ' VAL . 21.8 t -70.9 -57.05 8.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 120.727 -1.233 . . . . 0.0 111.961 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.97 -41.03 97.66 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.91 -1.119 . . . . 0.0 111.162 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' B' ' 52' ' ' ASP . 36.9 mmtm -69.5 -39.93 77.29 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.465 -0.772 . . . . 0.0 111.903 -177.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.4 mt -78.89 -52.79 14.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.427 -0.796 . . . . 0.0 111.34 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.53 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -62.65 -44.28 96.68 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.421 -0.799 . . . . 0.0 111.603 -178.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -66.51 -36.33 82.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.035 -1.041 . . . . 0.0 108.924 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -88.03 -17.48 31.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 109.186 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' B' ' 57' ' ' ILE . 52.4 tp -86.41 -19.89 29.02 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.3 m-20 -89.49 48.23 1.58 Allowed 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 102.794 -3.039 . . . . 0.0 102.794 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 61' ' ' LEU . 49.3 tp10 -43.48 -20.07 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 111.25 -2.705 . . . . 0.0 109.793 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 79.6 m-20 -88.16 -0.15 56.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.713 -1.242 . . . . 0.0 108.173 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.71 35.79 91.47 Favored Glycine 0 N--CA 1.494 2.513 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.501 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 27.4 p-10 -99.24 -17.77 17.94 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.885 -1.362 . . . . 0.0 110.753 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.43 -9.6 64.04 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 50.2 mt-10 -119.07 139.95 50.89 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.463 HG22 ' OD1' ' B' ' 62' ' ' ASP . 88.9 t -104.65 131.85 52.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 O-C-N 121.623 -0.673 . . . . 0.0 109.33 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.6 m-20 -85.82 123.77 31.56 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.01 -1.056 . . . . 0.0 109.101 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.481 ' C ' ' O ' ' B' ' 70' ' ' ASP . 87.8 m-85 -28.36 -35.02 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 O-C-N 122.254 -0.279 . . . . 0.0 111.643 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' B' ' 70' ' ' ASP . 28.5 tt0 -60.86 -40.5 93.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.442 -1.411 . . . . 0.0 109.528 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.2 mt-10 -66.67 -39.92 88.37 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.899 -1.126 . . . . 0.0 109.272 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.571 ' CE2' HD21 ' B' ' 37' ' ' LEU . 17.6 t80 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.867 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 1.2 p -69.07 -35.0 66.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 O-C-N 120.873 -1.142 . . . . 0.0 110.919 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.4 -60.48 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.808 -1.183 . . . . 0.0 112.041 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.92 -40.64 65.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.972 -1.08 . . . . 0.0 112.801 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 t -67.77 -38.76 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.609 -1.307 . . . . 0.0 109.927 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -75.87 -25.72 56.43 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.51 -0.744 . . . . 0.0 109.893 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.82 -21.3 64.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.999 -1.063 . . . . 0.0 109.836 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.0 mt -94.89 -37.67 11.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.207 -0.933 . . . . 0.0 109.315 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -62.03 -48.11 81.75 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.523 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.512 HG13 ' N ' ' B' ' 84' ' ' ALA . 8.9 p -74.4 -41.21 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.464 -0.772 . . . . 0.0 110.676 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.512 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -60.79 -34.27 74.25 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.346 -0.846 . . . . 0.0 111.181 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.57 -47.26 56.03 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.119 -0.988 . . . . 0.0 110.478 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 43.3 t30 -60.13 -41.76 93.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.059 -1.026 . . . . 0.0 110.076 -179.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 . . . . . 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.426 -179.556 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.496 1.865 0 N-CA-C 112.275 0.472 . . . . 0.0 112.275 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -60.87 -33.34 72.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.682 -1.261 . . . . 0.0 110.78 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 57' ' ' ILE . 23.5 tp -60.15 -49.84 76.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.877 -1.14 . . . . 0.0 110.529 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.52 -39.53 93.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.867 -1.145 . . . . 0.0 109.077 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p . . . . . 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.972 . . . . 0.0 110.509 -179.324 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.2 t60 . . . . . 0 N--CA 1.496 1.859 0 N-CA-C 112.396 0.517 . . . . 0.0 112.396 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -60.63 -33.34 72.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.613 -1.304 . . . . 0.0 111.004 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.433 HD13 HD11 ' B' ' 57' ' ' ILE . 22.5 tp -60.03 -50.06 75.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.858 -1.151 . . . . 0.0 110.561 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.46 -39.55 94.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.85 -1.156 . . . . 0.0 109.028 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 96.1 p . . . . . 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 0.0 110.645 -179.396 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m . . . . . 0 N--CA 1.497 1.889 0 CA-C-O 120.82 0.343 . . . . 0.0 110.288 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 56.0 mp0 -60.53 -57.4 12.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.816 -1.177 . . . . 0.0 110.353 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -51.92 -54.73 25.99 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.43 -1.419 . . . . 0.0 108.278 -178.747 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -45.42 -45.21 12.69 Favored 'General case' 0 C--N 1.29 -1.992 0 O-C-N 121.877 -0.515 . . . . 0.0 109.959 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 19.9 p -66.32 -32.39 73.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.913 -1.117 . . . . 0.0 110.798 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.27 89.93 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.765 -1.209 . . . . 0.0 111.599 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.69 -40.11 84.38 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.128 -1.608 . . . . 0.0 111.171 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.42 -44.7 86.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.875 -1.141 . . . . 0.0 111.835 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.532 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.4 t -73.85 -44.86 54.25 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -71.37 -29.45 64.97 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.89 -0.506 . . . . 0.0 112.131 -177.426 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.3 -35.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.197 -1.565 . . . . 0.0 109.269 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.13 -40.02 88.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.72 -1.238 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.14 -38.62 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.485 -0.759 . . . . 0.0 109.486 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -51.19 -59.06 4.6 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.374 -0.829 . . . . 0.0 111.48 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -71.4 -22.89 61.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.68 -0.637 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -53.3 59.44 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.772 -1.205 . . . . 0.0 110.271 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.41 -39.31 77.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.549 ' OG ' HD11 ' A' ' 28' ' ' LEU . 13.8 m -63.26 -6.9 5.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.137 -0.977 . . . . 0.0 111.014 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.0 18.12 58.03 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? . . . . . 0 N--CA 1.49 1.536 0 O-C-N 121.195 -1.18 . . . . 0.0 108.09 179.042 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 113.605 0.965 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.9 148.05 43.12 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 121.096 1.771 . . . . 0.0 110.139 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' OG ' ' A' ' 19' ' ' SER . 2.3 mm? -95.74 161.06 14.18 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.568 1.175 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.432 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 58.1 m -126.66 160.06 31.84 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 33' ' ' LEU . 75.5 tttt -44.6 -38.82 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.974 -1.079 . . . . 0.0 111.236 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -80.87 -24.31 38.45 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.765 -1.209 . . . . 0.0 112.343 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.432 ' HB2' ' H ' ' A' ' 29' ' ' SER . 96.3 mt-10 -82.74 -40.02 21.1 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.225 -1.547 . . . . 0.0 110.873 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 30' ' ' LYS . 2.9 pp -71.55 -36.99 71.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.243 -0.911 . . . . 0.0 109.96 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.97 -45.4 92.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.93 -25.17 58.7 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.012 -1.055 . . . . 0.0 110.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.31 -39.96 93.15 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 121.423 -0.798 . . . . 0.0 111.98 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -84.25 -36.01 23.01 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.806 -1.184 . . . . 0.0 112.785 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.523 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.4 pp0? -69.93 -33.39 72.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.528 -1.358 . . . . 0.0 110.237 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.523 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 92.6 m -82.15 -52.41 7.01 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.295 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 54.0 mm-40 -79.99 -60.05 2.49 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.695 -0.628 . . . . 0.0 111.542 -177.509 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.18 56.65 2.24 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 122.333 1.063 . . . . 0.0 109.453 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -69.89 -11.2 60.69 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.606 -0.684 . . . . 0.0 110.219 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -71.9 -21.42 61.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.184 -0.947 . . . . 0.0 113.15 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.504 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 44.9 t80 -160.45 -40.82 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.828 -1.795 . . . . 0.0 111.909 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.9 mm? -61.37 132.96 55.21 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 117.753 -1.579 . . . . 0.0 107.103 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.574 ' C ' HG13 ' A' ' 47' ' ' VAL . 39.3 p-10 -82.67 -128.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.701 -1.249 . . . . 0.0 111.745 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 47' ' ' VAL . 0.7 OUTLIER 72.1 17.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -176.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -122.51 9.38 9.64 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -175.86 -29.54 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.546 -0.721 . . . . 0.0 109.269 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -94.16 98.58 11.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 109.677 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.37 72.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.69 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.228 -0.92 . . . . 0.0 108.938 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.501 ' CB ' ' OD2' ' A' ' 46' ' ' ASP . . . -61.57 -39.98 93.12 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.347 -0.846 . . . . 0.0 111.238 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.91 -55.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 121.043 -1.035 . . . . 0.0 112.362 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.04 -41.37 95.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.712 -1.243 . . . . 0.0 111.517 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -71.4 -39.94 70.84 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.225 -0.922 . . . . 0.0 111.464 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.6 mt -75.0 -53.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.839 -1.163 . . . . 0.0 110.637 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.7 ppp? -63.76 -42.28 97.84 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.126 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' ' 58' ' ' MET . 78.1 tttt -68.03 -39.71 83.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 109.717 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -86.25 -17.32 35.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.973 -1.079 . . . . 0.0 108.777 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 63' ' ' GLU . 55.6 tp -87.57 -16.62 34.05 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.5 m-20 -92.65 47.39 1.29 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 102.641 -3.096 . . . . 0.0 102.641 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 18.2 pt-20 -46.74 -19.78 0.11 Allowed 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 111.31 -2.677 . . . . 0.0 109.977 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -87.05 3.23 46.92 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 62.77 40.42 99.19 Favored Glycine 0 N--CA 1.496 2.635 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.774 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 42.7 p-10 -102.22 -16.7 16.24 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.842 -1.387 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.07 70.88 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 45.1 mt-10 -123.33 140.09 53.37 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.52 129.29 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.124 -0.985 . . . . 0.0 110.745 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.3 157.74 29.1 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.517 -0.739 . . . . 0.0 109.489 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CE2' ' CG1' ' B' ' 83' ' ' VAL . 0.0 OUTLIER -62.33 -28.33 69.67 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.205 -0.935 . . . . 0.0 110.635 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -70.53 -40.0 73.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.538 -1.351 . . . . 0.0 109.166 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.1 -40.0 75.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 78' ' ' VAL . 20.9 t80 -64.31 -52.39 58.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.582 -0.699 . . . . 0.0 112.049 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.98 -35.23 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.718 -0.614 . . . . 0.0 112.13 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.25 -58.75 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.917 -1.115 . . . . 0.0 111.949 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.21 -40.12 78.17 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.074 -1.016 . . . . 0.0 112.325 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.1 m -69.98 -37.52 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 111.205 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.84 -24.02 58.53 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.668 -0.645 . . . . 0.0 109.454 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.51 -29.59 67.24 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 mt -83.83 -36.69 23.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.619 -0.676 . . . . 0.0 109.259 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -64.22 -49.94 69.99 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.4 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.53 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 71.3 t -69.84 -40.98 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-O 121.752 0.787 . . . . 0.0 109.873 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.13 -34.03 74.34 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.738 0.78 . . . . 0.0 109.696 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.504 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 48.4 t -62.62 -39.95 95.43 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.83 -36.01 75.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.642 -0.661 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 24.8 t-20 . . . . . 0 C--N 1.301 -1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.297 -179.696 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m . . . . . 0 N--CA 1.498 1.959 0 CA-C-O 120.826 0.346 . . . . 0.0 110.281 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.452 ' O ' ' OG1' ' B' ' 6' ' ' THR . 56.0 mp0 -60.55 -57.67 11.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.757 -1.214 . . . . 0.0 110.314 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -55.33 17.97 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.493 -1.379 . . . . 0.0 108.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -45.27 -45.05 11.8 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.941 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 19.3 p -66.67 -32.22 73.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.927 -1.108 . . . . 0.0 110.715 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.32 89.76 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.845 -1.159 . . . . 0.0 111.532 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.54 -40.13 85.03 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.259 -1.525 . . . . 0.0 111.162 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.56 -44.65 86.11 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.095 -1.003 . . . . 0.0 111.735 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.3 t -74.08 -44.51 53.77 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.207 -0.933 . . . . 0.0 111.454 -176.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.705 ' C ' HD12 ' B' ' 11' ' ' LEU . 0.3 OUTLIER -71.7 -29.51 64.65 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.825 -0.547 . . . . 0.0 112.047 -177.514 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.33 -36.86 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 119.987 -1.696 . . . . 0.0 108.912 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.37 -40.19 85.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.9 -1.125 . . . . 0.0 109.603 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.44 -39.29 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.309 -0.869 . . . . 0.0 109.497 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -50.81 -59.02 4.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.69 0.757 . . . . 0.0 111.586 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -71.37 -23.0 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.704 -0.622 . . . . 0.0 111.035 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -53.43 57.94 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.698 -1.252 . . . . 0.0 110.207 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.053 -1.029 . . . . 0.0 110.636 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.563 ' OG ' HD11 ' B' ' 28' ' ' LEU . 13.8 m -63.14 -6.49 4.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.151 -0.968 . . . . 0.0 110.96 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.15 17.45 59.27 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? . . . . . 0 N--CA 1.49 1.564 0 O-C-N 121.203 -1.175 . . . . 0.0 108.269 179.016 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 . . . . . 0 N--CA 1.491 1.594 0 N-CA-C 113.648 0.981 . . . . 0.0 113.648 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.68 148.19 43.7 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 121.188 1.813 . . . . 0.0 110.149 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' B' ' 19' ' ' SER . 2.3 mm? -95.74 160.98 14.22 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 122.515 1.15 . . . . 0.0 111.24 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.426 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 57.0 m -126.46 160.21 31.16 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.407 ' HA ' HD21 ' B' ' 33' ' ' LEU . 74.9 tttt -44.68 -38.92 4.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 111.248 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -80.98 -23.87 38.45 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.698 -1.251 . . . . 0.0 112.45 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.426 ' HB2' ' H ' ' B' ' 29' ' ' SER . 96.4 mt-10 -82.82 -40.48 20.3 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.234 -1.541 . . . . 0.0 110.86 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' B' ' 30' ' ' LYS . 2.9 pp -71.07 -37.12 72.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.878 . . . . 0.0 109.981 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.03 -45.15 93.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -75.3 -24.92 57.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.96 -1.087 . . . . 0.0 110.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.46 -39.84 92.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.502 -0.749 . . . . 0.0 112.002 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.1 mt -84.1 -36.74 22.75 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.846 -1.159 . . . . 0.0 112.727 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.532 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.4 pp0? -69.08 -33.66 73.9 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.6 -1.312 . . . . 0.0 110.339 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.532 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 92.5 m -81.99 -52.51 6.97 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.671 0.748 . . . . 0.0 111.421 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 54.5 mm-40 -79.95 -60.03 2.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.658 -0.651 . . . . 0.0 111.554 -177.528 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.22 56.71 2.24 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.333 1.063 . . . . 0.0 109.438 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 p -69.94 -11.5 60.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.755 . . . . 0.0 110.241 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.6 p -71.61 -21.49 61.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.218 -0.927 . . . . 0.0 113.091 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 45.1 t80 -160.31 -40.93 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 119.738 -1.851 . . . . 0.0 111.825 -179.309 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 1.9 mm? -61.39 132.96 55.2 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 117.77 -1.572 . . . . 0.0 107.164 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.567 ' C ' HG13 ' B' ' 47' ' ' VAL . 39.0 p-10 -82.76 -128.48 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 0.0 111.71 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 47' ' ' VAL . 0.7 OUTLIER 72.17 17.37 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 -176.344 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -122.16 9.03 9.8 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -175.71 -29.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.645 -0.659 . . . . 0.0 109.35 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -94.37 98.47 10.92 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.813 . . . . 0.0 109.515 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.07 71.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -60.2 -40.11 88.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.965 . . . . 0.0 108.882 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.497 ' CB ' ' OD2' ' B' ' 46' ' ' ASP . . . -62.69 -37.05 84.91 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.426 -0.796 . . . . 0.0 111.708 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.3 t -70.13 -55.53 14.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 120.893 -1.129 . . . . 0.0 112.268 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -64.94 -41.37 95.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.686 -1.259 . . . . 0.0 111.594 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -71.48 -39.91 70.58 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.197 -0.939 . . . . 0.0 111.412 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -74.95 -53.73 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 120.794 -1.191 . . . . 0.0 110.633 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -62.63 -42.98 99.9 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.273 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.454 ' N ' ' SD ' ' B' ' 58' ' ' MET . 77.1 tttt -68.23 -39.74 82.24 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.407 -0.808 . . . . 0.0 109.772 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.2 mt-10 -86.24 -17.27 35.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.015 -1.053 . . . . 0.0 108.724 179.296 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.3 tp -87.75 -16.74 33.37 Favored 'General case' 0 N--CA 1.507 2.408 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 65' ' ' GLY . 46.3 m-20 -92.62 47.65 1.32 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 102.627 -3.101 . . . . 0.0 102.627 173.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.3 pt-20 -46.92 -19.61 0.11 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 111.21 -2.723 . . . . 0.0 110.064 -177.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -87.3 3.54 46.36 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.621 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 63.48 37.94 95.57 Favored Glycine 0 N--CA 1.497 2.729 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.063 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.429 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 43.4 p-10 -100.11 -17.07 17.61 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 120.745 -1.444 . . . . 0.0 111.072 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.71 71.86 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 44.8 mt-10 -123.25 140.6 52.85 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.53 129.44 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.043 -1.036 . . . . 0.0 110.762 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.22 158.0 29.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.502 -0.748 . . . . 0.0 109.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -62.5 -28.32 69.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.229 -0.919 . . . . 0.0 110.611 179.269 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -70.56 -40.05 73.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.439 -1.413 . . . . 0.0 109.1 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.06 -40.05 75.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.212 -0.93 . . . . 0.0 110.289 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.805 ' O ' HG22 ' B' ' 78' ' ' VAL . 22.4 t80 -64.28 -52.78 56.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.573 -0.704 . . . . 0.0 111.999 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.82 -35.37 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.741 -0.6 . . . . 0.0 112.119 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.05 -58.78 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.862 -1.148 . . . . 0.0 112.133 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.04 -40.0 78.85 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.967 -1.083 . . . . 0.0 112.348 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.805 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.9 m -70.09 -37.38 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.868 -1.145 . . . . 0.0 111.435 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.503 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.82 -24.49 58.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.627 -0.671 . . . . 0.0 109.392 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.31 -23.44 61.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.173 -0.954 . . . . 0.0 108.924 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 -36.22 15.88 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -64.44 -49.9 69.67 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.402 -0.919 . . . . 0.0 109.329 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.494 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 72.3 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 109.864 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.51 73.46 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.741 0.782 . . . . 0.0 109.686 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 45.2 t -62.96 -40.02 96.44 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.696 0.76 . . . . 0.0 109.003 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -59.94 -36.0 76.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 24.9 t-20 . . . . . 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.966 . . . . 0.0 109.416 -179.653 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 78.1 t60 . . . . . 0 N--CA 1.492 1.669 0 CA-C-O 120.97 0.414 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.528 ' NZ ' ' N ' ' A' ' 53' ' ' ALA . 4.8 tmtt? -59.53 -48.61 80.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.012 -1.055 . . . . 0.0 111.179 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.81 -41.82 74.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.519 -1.363 . . . . 0.0 110.475 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -63.45 -32.42 73.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.98 -1.075 . . . . 0.0 108.728 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p . . . . . 0 C--N 1.301 -1.535 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.842 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.2 t60 . . . . . 0 N--CA 1.491 1.601 0 CA-C-O 121.113 0.482 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . 0.617 ' NZ ' ' N ' ' B' ' 53' ' ' ALA . 6.3 tmtt? -59.53 -48.5 81.42 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.988 -1.07 . . . . 0.0 111.19 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.77 -42.43 73.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.598 -1.314 . . . . 0.0 110.376 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.79 -32.87 74.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.002 . . . . 0.0 108.676 -179.726 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p . . . . . 0 C--N 1.301 -1.536 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 178.947 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.867 -0.79 . . . . 0.0 108.867 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 -63.09 -53.02 60.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.455 -0.778 . . . . 0.0 110.065 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.408 HD13 HD23 ' B' ' 11' ' ' LEU . 14.3 tp -59.84 -36.68 77.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.428 -0.795 . . . . 0.0 109.919 -177.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -44.87 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.288 -0.883 . . . . 0.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 32.1 p -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.594 -0.691 . . . . 0.0 110.051 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.462 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.97 -46.79 75.12 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.513 -0.742 . . . . 0.0 109.524 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.4 mmm -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.121 -0.987 . . . . 0.0 109.898 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.92 -39.88 95.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 0.0 110.445 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 23.0 p -70.53 -47.12 61.94 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 112.291 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.12 -39.96 88.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.566 -0.709 . . . . 0.0 111.125 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.42 -29.94 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 111.3 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.413 HD22 ' HG2' ' B' ' 3' ' ' GLU . 42.8 t30 -60.54 -40.01 89.97 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.199 -1.563 . . . . 0.0 108.57 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -80.5 -36.57 16.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.94 -52.67 64.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.948 -1.095 . . . . 0.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -71.76 -28.26 63.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.686 -0.634 . . . . 0.0 111.101 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -59.82 2.7 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.66 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 48.9 m-70 -66.46 -40.06 89.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.725 -1.235 . . . . 0.0 111.968 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.8 p -68.34 -17.53 64.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.107 -0.996 . . . . 0.0 112.37 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.44 16.17 24.45 Favored Glycine 0 N--CA 1.502 3.086 0 O-C-N 121.186 -0.946 . . . . 0.0 111.818 -177.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt . . . . . 0 N--CA 1.495 1.813 0 CA-C-N 119.94 1.87 . . . . 0.0 108.393 -179.963 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 . . . . . 0 N--CA 1.5 2.057 0 CA-C-O 122.226 1.012 . . . . 0.0 109.814 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.6 150.92 26.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -97.49 160.1 14.52 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.598 1.189 . . . . 0.0 111.396 -177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.509 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 42.3 t -128.95 163.36 25.49 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -51.01 -40.0 57.13 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.171 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -75.46 -30.0 59.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.596 -1.315 . . . . 0.0 112.083 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB2' ' H ' ' A' ' 29' ' ' SER . 94.5 mt-10 -75.5 -34.4 60.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.585 -1.322 . . . . 0.0 108.569 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.95 -40.04 75.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.769 -0.582 . . . . 0.0 111.624 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.64 -39.97 94.63 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.786 -1.196 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 50.8 t0 -79.66 -31.09 41.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.944 -1.097 . . . . 0.0 110.394 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.0 -40.08 78.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.26 -0.9 . . . . 0.0 112.279 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.631 HD21 ' CE2' ' A' ' 74' ' ' PHE . 90.8 mt -82.8 -38.55 22.96 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.567 -1.333 . . . . 0.0 112.049 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.553 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.5 pp0? -69.51 -37.72 77.29 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.656 -1.278 . . . . 0.0 110.396 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.553 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 76.0 m -80.13 -66.49 0.87 Allowed 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.363 -178.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 30.9 mp0 -69.4 -40.13 77.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.728 -0.607 . . . . 0.0 111.433 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.8 69.95 0.7 Allowed 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 122.409 1.099 . . . . 0.0 110.287 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.4 p -81.98 -149.89 0.08 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.7 t 45.3 -10.81 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' A' ' 42' ' ' SER . 92.6 m-85 -145.1 -75.42 0.22 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.019 -1.676 . . . . 0.0 111.127 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 mm? -61.24 131.78 51.5 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.822 -1.174 . . . . 0.0 108.945 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 96.3 m-20 -114.29 146.88 39.9 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 2.4 m -153.72 -37.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.41 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 96.3 mt-30 -75.22 -50.34 16.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.409 -0.807 . . . . 0.0 111.631 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.492 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 10.3 ptpt -68.28 -39.96 81.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.051 -1.031 . . . . 0.0 111.143 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' ASP . 49.0 t0 -99.31 102.9 14.66 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.988 -1.07 . . . . 0.0 109.768 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.65 -36.04 67.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.383 -0.823 . . . . 0.0 109.541 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.9 -39.41 85.28 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.528 ' N ' ' NZ ' ' C' ' 7' ' ' LYS . . . -63.11 -37.68 88.16 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.597 -0.689 . . . . 0.0 111.257 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 62.0 t -69.73 -56.0 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.839 -1.163 . . . . 0.0 111.912 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -67.01 -40.16 87.24 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.565 -1.334 . . . . 0.0 110.958 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -70.51 -40.01 73.78 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.027 -1.046 . . . . 0.0 111.617 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 61' ' ' LEU . 97.8 mt -78.1 -55.01 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.115 -0.99 . . . . 0.0 110.031 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.28 -45.39 93.5 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.781 -0.575 . . . . 0.0 111.362 -178.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -68.58 -39.29 81.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.03 . . . . 0.0 109.968 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -85.36 -16.71 38.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.978 -1.076 . . . . 0.0 108.724 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' ILE . 68.1 tp -85.82 -16.41 38.82 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -91.29 47.16 1.36 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 174.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.3 tt0 -47.59 -22.9 0.55 Allowed 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.619 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.27 0.02 54.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.757 -1.215 . . . . 0.0 107.919 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 66.08 34.62 88.86 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 10.5 p-10 -100.64 -18.53 16.52 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.087 -1.243 . . . . 0.0 110.416 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.35 -0.22 85.08 Favored Glycine 0 N--CA 1.498 2.809 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.526 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 94.1 mt-10 -125.11 141.83 51.87 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.2 t -104.86 125.36 59.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 CA-C-O 122.028 0.918 . . . . 0.0 110.181 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 10.3 t70 -77.89 160.33 28.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.423 -0.798 . . . . 0.0 108.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 11.9 p90 -58.41 -28.32 65.11 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.083 -1.01 . . . . 0.0 110.629 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 76' ' ' VAL . 88.0 mt-30 -70.01 -40.08 75.45 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.349 -1.469 . . . . 0.0 109.553 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.54 -39.97 64.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.006 -1.059 . . . . 0.0 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CE2' HD21 ' A' ' 37' ' ' LEU . 6.7 t80 -67.68 -40.67 84.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.479 -0.763 . . . . 0.0 111.322 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.81 -31.97 27.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 O-C-N 121.354 -0.841 . . . . 0.0 110.502 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 72' ' ' GLN . 41.8 t -72.08 -59.32 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 111.716 -178.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.3 tt -69.99 -40.01 75.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.77 -1.207 . . . . 0.0 112.047 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.23 -39.89 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 120.675 -1.266 . . . . 0.0 110.164 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.4 -24.36 59.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.221 -0.925 . . . . 0.0 109.055 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.55 -27.15 65.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.794 -1.191 . . . . 0.0 109.989 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.81 -33.32 15.02 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.98 -1.075 . . . . 0.0 110.172 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.7 t -64.32 -49.62 71.02 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.544 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' A' ' 82' ' ' THR . 60.9 t -75.04 -41.76 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.898 -1.126 . . . . 0.0 110.749 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.59 75.77 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.534 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.83 -41.32 97.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.37 -0.831 . . . . 0.0 109.097 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.2 t30 -60.29 -41.4 93.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.487 -0.758 . . . . 0.0 110.562 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 . . . . . 0 N--CA 1.496 1.849 0 O-C-N 121.046 -1.033 . . . . 0.0 110.975 -178.534 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.498 1.963 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.8 mp0 -63.34 -53.02 59.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.488 -0.758 . . . . 0.0 110.074 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.94 -36.46 77.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.41 -0.806 . . . . 0.0 109.905 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.12 -45.1 87.89 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.115 0.96 . . . . 0.0 109.169 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 33.2 p -67.87 -31.33 71.06 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.504 -0.747 . . . . 0.0 109.939 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -56.59 -45.95 81.11 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.408 -0.917 . . . . 0.0 109.294 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -59.97 -40.06 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.665 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.9 -39.98 96.15 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.584 0.707 . . . . 0.0 110.281 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 22.4 p -70.31 -47.14 62.46 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.529 -0.732 . . . . 0.0 112.173 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.408 HD23 HD13 ' A' ' 4' ' ' LEU . 59.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.513 -0.742 . . . . 0.0 111.356 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -80.9 -31.3 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.198 -0.939 . . . . 0.0 110.993 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -39.86 87.35 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 120.468 -1.395 . . . . 0.0 108.031 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -80.4 -36.52 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.06 -52.5 65.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.939 -1.101 . . . . 0.0 111.218 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -71.97 -28.02 63.16 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.648 -0.657 . . . . 0.0 111.022 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.81 -59.89 2.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.638 -1.288 . . . . 0.0 110.596 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.54 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 49.3 m-70 -66.52 -39.96 88.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.801 -1.187 . . . . 0.0 111.932 -177.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -68.45 -17.33 64.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 112.332 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.61 15.43 24.41 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.769 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.9 mttt . . . . . 0 N--CA 1.496 1.862 0 O-C-N 120.028 -1.866 . . . . 0.0 108.503 -179.916 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 . . . . . 0 N--CA 1.501 2.124 0 CA-C-O 122.167 0.984 . . . . 0.0 109.759 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.94 150.85 26.31 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.42 160.13 14.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.724 1.25 . . . . 0.0 111.516 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.513 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.9 t -128.83 163.29 25.53 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -50.89 -39.96 55.5 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.353 -1.339 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -75.82 -29.74 58.75 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.569 -1.332 . . . . 0.0 112.069 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' B' ' 29' ' ' SER . 94.3 mt-10 -75.64 -34.26 60.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.457 -1.402 . . . . 0.0 108.54 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.93 -40.08 75.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.653 -0.654 . . . . 0.0 111.61 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.5 -39.99 94.82 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.795 -1.191 . . . . 0.0 111.546 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 50.5 t0 -79.63 -31.03 41.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.894 -1.128 . . . . 0.0 110.329 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.01 -40.01 78.95 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.266 -0.897 . . . . 0.0 112.378 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' B' ' 74' ' ' PHE . 90.8 mt -82.68 -39.53 21.91 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.564 -1.335 . . . . 0.0 111.833 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.553 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.5 pp0? -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.715 -1.241 . . . . 0.0 110.345 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.553 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 70.0 m -79.95 -66.69 0.84 Allowed 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.291 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 30.9 mp0 -69.48 -40.1 77.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 -177.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.79 69.92 0.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 CA-C-O 122.416 1.103 . . . . 0.0 110.245 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.63 ' O ' ' N ' ' B' ' 44' ' ' PHE . 84.0 p -81.98 -149.95 0.08 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t 45.19 -10.43 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.63 ' N ' ' O ' ' B' ' 42' ' ' SER . 91.3 m-85 -145.38 -75.27 0.22 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 119.971 -1.706 . . . . 0.0 111.232 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -61.44 131.8 51.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.848 -1.157 . . . . 0.0 108.881 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 96.8 m-20 -114.4 146.95 39.95 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 2.7 m -153.73 -37.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 97.2 mt-30 -75.2 -50.07 17.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.515 -0.741 . . . . 0.0 111.719 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.452 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 10.2 ptpt -68.51 -40.13 80.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.024 -1.048 . . . . 0.0 111.053 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -98.9 102.9 14.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.084 -1.01 . . . . 0.0 109.862 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.71 66.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.814 . . . . 0.0 109.506 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.476 ' C ' ' HZ2' ' D' ' 7' ' ' LYS . 89.6 m-20 -60.05 -38.98 84.4 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.617 ' N ' ' NZ ' ' D' ' 7' ' ' LYS . . . -63.95 -35.58 81.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.683 -0.635 . . . . 0.0 111.604 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 65.5 t -71.22 -55.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.781 -1.199 . . . . 0.0 111.942 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -66.99 -40.13 87.29 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.666 -1.271 . . . . 0.0 111.016 -177.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -70.52 -40.06 73.73 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.104 -0.997 . . . . 0.0 111.581 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -78.21 -54.85 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.986 . . . . 0.0 110.245 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.99 -45.67 91.96 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.738 -0.601 . . . . 0.0 111.428 -178.379 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.39 -39.61 81.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.135 -0.978 . . . . 0.0 109.939 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -85.29 -16.82 38.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.041 . . . . 0.0 108.735 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' B' ' 57' ' ' ILE . 67.7 tp -85.66 -16.32 39.52 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 0.3 OUTLIER -91.42 46.88 1.33 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 103.099 -2.926 . . . . 0.0 103.099 174.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.4 tt0 -47.27 -22.83 0.45 Allowed 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 111.633 -2.53 . . . . 0.0 109.572 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -86.32 0.02 54.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.848 -1.157 . . . . 0.0 108.061 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 66.88 32.72 81.86 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.737 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 10.8 p-10 -99.57 -19.0 17.09 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.987 -1.302 . . . . 0.0 110.409 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.58 0.0 86.46 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 94.4 mt-10 -125.34 141.86 51.83 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 95.1 t -104.42 125.42 59.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-O 121.946 0.879 . . . . 0.0 110.252 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 10.4 t70 -77.59 160.29 28.66 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.419 -0.801 . . . . 0.0 109.039 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 12.7 p90 -58.39 -28.4 65.15 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.137 -0.977 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.472 ' O ' HG23 ' B' ' 76' ' ' VAL . 88.5 mt-30 -70.11 -39.95 75.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.312 -1.492 . . . . 0.0 109.573 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.54 -40.06 64.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.113 . . . . 0.0 110.329 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.634 ' CE2' HD21 ' B' ' 37' ' ' LEU . 5.8 t80 -67.78 -40.24 84.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 71' ' ' PHE . 9.4 p -75.09 -31.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.458 -0.776 . . . . 0.0 110.454 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 72' ' ' GLN . 45.7 t -72.24 -58.99 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.214 -0.929 . . . . 0.0 111.66 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.79 -1.194 . . . . 0.0 111.87 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.51 -39.88 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.773 -1.204 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.77 59.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.074 -1.016 . . . . 0.0 109.129 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.02 -22.09 63.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.816 -1.178 . . . . 0.0 110.623 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -95.78 -33.67 12.18 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.792 -1.192 . . . . 0.0 109.739 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.8 t -64.14 -49.46 72.06 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.555 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' B' ' 82' ' ' THR . 59.3 t -75.27 -41.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.959 -1.088 . . . . 0.0 110.712 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.42 75.58 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.487 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.68 -41.4 98.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.237 -0.914 . . . . 0.0 109.056 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -60.43 -41.2 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.452 -0.78 . . . . 0.0 110.653 -179.52 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 . . . . . 0 N--CA 1.495 1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 110.917 -178.665 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 N--CA 1.491 1.575 0 CA-C-O 121.126 0.489 . . . . 0.0 109.931 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.97 -43.61 94.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 109.597 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 57' ' ' ILE . 21.1 tp -60.12 -51.61 68.89 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.805 . . . . 0.0 110.872 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.881 -1.137 . . . . 0.0 110.336 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 89.6 p . . . . . 0 N--CA 1.492 1.651 0 O-C-N 120.941 -1.099 . . . . 0.0 109.673 -179.735 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 . . . . . 0 N--CA 1.489 1.525 0 CA-C-O 121.123 0.487 . . . . 0.0 110.013 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.94 -43.5 94.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.102 -0.999 . . . . 0.0 109.612 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.662 HD13 HD11 ' B' ' 57' ' ' ILE . 21.7 tp -60.2 -51.61 68.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.358 -0.838 . . . . 0.0 110.83 -179.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 59.4 mt -70.04 -39.97 75.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.932 -1.105 . . . . 0.0 110.319 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 88.9 p . . . . . 0 N--CA 1.493 1.7 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 -179.663 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p . . . . . 0 N--CA 1.499 1.976 0 N-CA-C 109.086 -0.709 . . . . 0.0 109.086 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' A' ' 6' ' ' THR . 58.0 mp0 -64.43 -52.4 58.31 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.819 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.65 ' HB2' HG21 ' B' ' 14' ' ' VAL . 17.1 tp -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.444 0.64 . . . . 0.0 110.25 -178.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.7 -48.69 77.13 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.103 0.954 . . . . 0.0 109.683 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 16.4 p -65.39 -28.96 69.63 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.306 0.574 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.432 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.8 -48.05 78.84 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.388 -0.82 . . . . 0.0 109.549 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -60.05 -39.98 87.84 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.985 -1.072 . . . . 0.0 109.273 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.72 -39.99 90.68 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.452 -0.78 . . . . 0.0 110.341 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.592 ' O ' HG22 ' A' ' 14' ' ' VAL . 12.6 p -70.39 -46.35 64.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.22 0.533 . . . . 0.0 111.982 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 81.0 mt -57.41 -39.58 76.46 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.306 -0.871 . . . . 0.0 110.172 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.88 -30.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 111.506 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.35 -40.06 95.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.022 -1.674 . . . . 0.0 109.855 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.629 HG21 ' HB2' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -81.67 -37.18 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.832 -0.542 . . . . 0.0 111.259 -179.34 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.6 m-30 -58.59 -51.83 68.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.59 -23.88 56.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.534 -0.729 . . . . 0.0 111.534 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -61.01 1.99 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.792 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.37 -39.32 89.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.459 -1.4 . . . . 0.0 110.069 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -67.59 -15.7 63.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.321 -0.862 . . . . 0.0 111.279 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.4 16.97 56.39 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt . . . . . 0 C--N 1.305 -1.345 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.453 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.51 2.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -149.2 151.95 35.18 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 119.832 -1.792 . . . . 0.0 110.219 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.4 mm? -95.76 168.49 10.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.041 0.925 . . . . 0.0 110.562 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.5 p -127.65 159.74 33.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -48.46 -39.98 24.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.844 -1.16 . . . . 0.0 110.302 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -71.16 -30.06 65.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.075 -1.016 . . . . 0.0 112.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -77.45 -35.19 54.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.414 -1.429 . . . . 0.0 109.985 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -71.14 -43.77 66.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.553 -0.717 . . . . 0.0 111.29 -179.348 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.69 -44.36 96.61 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.688 -1.257 . . . . 0.0 110.826 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.66 -32.63 69.97 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 112.541 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 74' ' ' PHE . 87.3 mt -83.86 -38.4 21.23 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.564 -1.335 . . . . 0.0 112.472 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.6 ' NE2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -70.01 -48.74 56.85 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.766 -1.209 . . . . 0.0 110.599 -178.037 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.6 ' N ' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -69.96 -39.99 75.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.495 -0.753 . . . . 0.0 112.737 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -106.61 -30.61 8.91 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.289 -0.882 . . . . 0.0 112.381 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.92 68.31 0.7 Allowed 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 122.342 1.068 . . . . 0.0 109.958 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.648 ' O ' ' N ' ' A' ' 44' ' ' PHE . 13.5 m -81.17 -148.39 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.2 m 48.72 -22.18 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.648 ' N ' ' O ' ' A' ' 42' ' ' SER . 96.5 m-85 -141.79 -60.01 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.245 -1.534 . . . . 0.0 111.435 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.6 mm? -77.45 132.09 38.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.581 -1.324 . . . . 0.0 109.418 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.87 159.12 33.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.483 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 27.3 m -159.57 -34.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.461 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.1 pt20 -75.6 -41.75 53.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.611 -0.68 . . . . 0.0 112.228 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -69.85 -35.64 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.679 -1.263 . . . . 0.0 110.037 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -109.77 104.81 13.83 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.762 . . . . 0.0 110.099 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.36 74.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.344 -0.848 . . . . 0.0 109.0 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.157 -0.964 . . . . 0.0 108.639 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.49 82.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.292 -0.88 . . . . 0.0 110.379 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 30.1 t -70.12 -57.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 112.083 -177.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.407 -1.433 . . . . 0.0 111.561 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -70.1 -39.9 75.26 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 111.322 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.648 HD11 HD13 ' C' ' 8' ' ' LEU . 96.8 mt -77.49 -52.32 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 120.849 -1.157 . . . . 0.0 110.464 -177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.464 ' CE ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -59.98 -48.31 82.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.511 -0.743 . . . . 0.0 110.882 -178.143 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.57 -39.12 84.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 110.238 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.25 -16.98 31.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.956 -1.09 . . . . 0.0 109.855 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' A' ' 63' ' ' GLU . 63.3 tp -80.68 -14.58 58.01 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 64' ' ' ASN . 12.1 m-20 -94.81 37.42 1.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.4 tt0 -35.71 -21.54 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 112.071 -2.331 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' ASP . 22.9 t-20 -86.03 -6.7 58.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.657 -1.277 . . . . 0.0 108.707 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 85.53 29.14 27.88 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.63 ' C ' ' H ' ' A' ' 68' ' ' GLU . 23.4 p-10 -109.83 114.37 27.89 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.53 15.19 0.05 OUTLIER Glycine 0 N--CA 1.491 2.351 0 C-N-CA 118.206 -1.95 . . . . 0.0 110.863 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.63 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.9 mt-10 -120.5 141.86 49.82 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.1 t -104.58 131.28 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.177 -0.952 . . . . 0.0 111.244 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 9.3 t70 -79.94 156.75 27.1 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.758 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.498 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 43.7 p90 -60.16 -38.92 84.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.237 -0.914 . . . . 0.0 110.161 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 54.6 tt0 -60.03 -40.77 90.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.097 -1.002 . . . . 0.0 110.84 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 61' ' ' LEU . 37.8 mt-10 -69.03 -40.03 78.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.775 -1.203 . . . . 0.0 110.352 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.543 ' CE2' HD21 ' A' ' 37' ' ' LEU . 20.7 t80 -62.46 -42.12 99.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 112.164 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.77 -35.2 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.915 -1.116 . . . . 0.0 111.007 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.01 -60.17 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.133 -0.98 . . . . 0.0 111.983 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.64 -40.53 73.03 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.88 -1.137 . . . . 0.0 112.511 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.14 -40.81 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.579 -1.326 . . . . 0.0 110.16 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 108.885 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.32 -26.6 68.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.86 -25.95 17.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.377 -0.827 . . . . 0.0 109.419 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -64.45 -55.04 23.47 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.409 -0.807 . . . . 0.0 110.253 -179.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 82' ' ' THR . 4.5 m -80.16 -34.09 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.559 -1.338 . . . . 0.0 110.726 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.1 93.89 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.939 -1.1 . . . . 0.0 110.155 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.42 -40.01 89.28 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.292 -0.88 . . . . 0.0 109.482 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.92 -39.67 86.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 . . . . . 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.0 110.007 -178.254 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p . . . . . 0 N--CA 1.498 1.96 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -64.27 -52.61 57.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.347 -0.845 . . . . 0.0 109.71 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.629 ' HB2' HG21 ' A' ' 14' ' ' VAL . 17.9 tp -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.326 0.584 . . . . 0.0 110.282 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.53 -48.89 76.29 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.156 0.979 . . . . 0.0 109.7 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.4 p -65.19 -27.92 69.03 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.46 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.24 -46.94 85.03 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.485 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -59.93 -40.06 87.62 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.126 -0.984 . . . . 0.0 109.093 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.87 -39.94 91.1 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.706 0.765 . . . . 0.0 110.144 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.609 ' O ' HG22 ' B' ' 14' ' ' VAL . 11.8 p -70.59 -46.56 63.21 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.756 -0.59 . . . . 0.0 111.884 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.5 mt -57.04 -39.98 75.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 58.3 mt -78.58 -33.2 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 111.315 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.06 -40.14 88.43 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.164 -1.585 . . . . 0.0 109.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.65 HG21 ' HB2' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -82.0 -37.43 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.777 -0.577 . . . . 0.0 111.194 -179.057 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.5 m-30 -58.18 -52.08 67.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.085 . . . . 0.0 110.573 -178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.54 -23.88 56.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.485 -0.76 . . . . 0.0 111.485 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.91 -60.9 2.04 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.378 -1.451 . . . . 0.0 110.921 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -66.38 -39.3 89.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.335 -1.478 . . . . 0.0 110.087 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 79.0 p -67.41 -15.65 63.79 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.344 -0.848 . . . . 0.0 111.241 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.45 16.4 57.8 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt . . . . . 0 C--N 1.305 -1.327 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 178.507 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 16.3 t80 . . . . . 0 N--CA 1.509 2.505 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -149.36 152.07 35.17 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 119.791 -1.818 . . . . 0.0 110.157 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -95.97 168.16 10.8 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.097 0.951 . . . . 0.0 110.58 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -127.33 159.42 34.46 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -48.02 -39.95 21.33 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.777 -1.202 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -71.74 -29.5 64.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.041 -1.037 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -77.44 -35.28 54.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.358 -1.464 . . . . 0.0 109.961 179.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.783 HD12 ' O ' ' B' ' 33' ' ' LEU . 0.8 OUTLIER -71.04 -43.8 67.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.731 . . . . 0.0 111.399 -179.302 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -60.45 -44.66 95.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.65 -1.281 . . . . 0.0 110.858 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.42 -32.58 70.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.58 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -40.09 95.22 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.508 -0.745 . . . . 0.0 112.619 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.536 HD21 ' CE2' ' B' ' 74' ' ' PHE . 88.8 mt -84.12 -38.14 21.09 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.529 -1.357 . . . . 0.0 112.428 -177.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.601 ' NE2' ' N ' ' B' ' 39' ' ' THR . 0.0 OUTLIER -70.08 -48.57 57.18 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.68 -1.263 . . . . 0.0 110.746 -178.175 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.601 ' N ' ' NE2' ' B' ' 38' ' ' GLN . 94.5 m -70.01 -39.96 75.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 112.627 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -106.76 -30.69 8.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.173 -0.954 . . . . 0.0 112.277 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.09 68.26 0.7 Allowed 'General case' 0 N--CA 1.506 2.361 0 CA-C-O 122.279 1.038 . . . . 0.0 109.872 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.651 ' O ' ' N ' ' B' ' 44' ' ' PHE . 12.1 m -81.07 -148.16 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m 48.75 -22.15 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.651 ' N ' ' O ' ' B' ' 42' ' ' SER . 96.5 m-85 -142.04 -60.02 0.46 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.109 -1.619 . . . . 0.0 111.375 -178.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.8 mm? -77.48 132.13 38.27 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.594 -1.316 . . . . 0.0 109.463 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.91 158.97 33.81 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 28.6 m -159.47 -34.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.457 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.1 pt20 -75.62 -41.95 52.98 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 0.0 112.306 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -69.67 -35.93 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 110.002 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -109.62 104.71 13.78 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.451 -0.781 . . . . 0.0 110.081 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.09 74.06 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.453 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -61.07 -35.1 76.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.379 -0.826 . . . . 0.0 110.869 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 39.2 t -72.6 -56.92 8.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.134 -0.979 . . . . 0.0 111.959 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.73 -42.99 99.68 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.463 -1.398 . . . . 0.0 111.595 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.97 -40.0 75.65 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 111.316 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.662 HD11 HD13 ' D' ' 8' ' ' LEU . 96.8 mt -77.44 -52.51 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.873 -1.142 . . . . 0.0 110.462 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.483 ' HG2' HD23 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -59.99 -47.94 83.75 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.55 -0.719 . . . . 0.0 111.002 -178.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -67.83 -38.78 83.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.344 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.53 -17.01 31.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.026 -1.046 . . . . 0.0 109.887 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' B' ' 57' ' ' ILE . 66.2 tp -80.77 -14.37 58.14 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' B' ' 64' ' ' ASN . 12.0 m-20 -94.88 37.25 1.15 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.4 tt0 -35.67 -21.82 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 112.007 -2.36 . . . . 0.0 111.337 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 23.0 t-20 -85.76 -6.62 59.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.604 -1.31 . . . . 0.0 108.802 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.32 29.4 27.76 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.638 ' C ' ' H ' ' B' ' 68' ' ' GLU . 23.4 p-10 -109.87 114.45 28.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.47 15.15 0.05 OUTLIER Glycine 0 C--N 1.285 -2.256 0 C-N-CA 118.153 -1.975 . . . . 0.0 110.718 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.638 ' H ' ' C ' ' B' ' 66' ' ' ASP . 44.2 mt-10 -120.79 141.48 50.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.57 131.17 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.11 -0.993 . . . . 0.0 111.399 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 9.4 t70 -79.75 156.85 27.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.77 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 43.6 p90 -60.16 -39.01 84.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.23 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 54.6 tt0 -60.02 -40.64 90.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.064 -1.023 . . . . 0.0 110.846 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' B' ' 61' ' ' LEU . 37.8 mt-10 -69.23 -39.94 78.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.002 -1.061 . . . . 0.0 110.291 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.536 ' CE2' HD21 ' B' ' 37' ' ' LEU . 21.0 t80 -62.57 -41.89 99.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.575 -0.703 . . . . 0.0 112.199 -178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.93 -35.36 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 111.024 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.12 -60.21 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 111.826 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 tp -70.44 -40.22 73.89 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.857 -1.152 . . . . 0.0 112.564 -176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.96 -40.15 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.527 -1.358 . . . . 0.0 110.135 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.43 61.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.173 -0.954 . . . . 0.0 108.981 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.11 65.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.868 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.406 ' HB2' HD11 ' B' ' 45' ' ' LEU . 17.8 mt -95.95 -26.41 15.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.245 -0.909 . . . . 0.0 108.903 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.5 OUTLIER -64.39 -55.01 23.91 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.275 -179.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.466 ' N ' ' CG2' ' B' ' 82' ' ' THR . 5.4 m -80.08 -34.62 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.691 -1.255 . . . . 0.0 110.709 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.91 92.51 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 110.352 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.55 -40.08 88.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.92 -39.66 86.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.514 -0.741 . . . . 0.0 110.173 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 . . . . . 0 N--CA 1.49 1.555 0 O-C-N 121.184 -0.948 . . . . 0.0 110.033 -178.31 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 62.3 m80 . . . . . 0 N--CA 1.489 1.483 0 CA-C-O 121.096 0.474 . . . . 0.0 110.166 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.29 -50.13 74.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.111 -0.993 . . . . 0.0 110.641 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.402 HD23 ' CD1' ' A' ' 81' ' ' LEU . 58.7 tp -70.04 -39.98 75.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.85 -40.02 95.6 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.883 . . . . 0.0 108.879 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 7.6 t . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.632 179.808 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 m80 . . . . . 0 N--CA 1.491 1.586 0 CA-C-O 121.045 0.45 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.25 -50.17 74.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.97 . . . . 0.0 110.814 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 58.7 tp -70.0 -40.04 75.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.91 -1.118 . . . . 0.0 110.138 -179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 108.905 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.662 179.802 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 N--CA 1.497 1.902 0 N-CA-C 108.836 -0.802 . . . . 0.0 108.836 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' A' ' 6' ' ' THR . 96.2 mt-10 -60.41 -55.16 36.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 0.0 110.02 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.639 ' CG ' HG21 ' B' ' 14' ' ' VAL . 82.5 mt -59.7 -35.79 75.2 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.849 -1.157 . . . . 0.0 110.003 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.32 -43.86 75.29 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -71.32 -32.01 68.08 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 110.128 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -57.9 -51.09 71.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.396 -0.815 . . . . 0.0 110.285 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 tpt -60.76 -40.25 91.77 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.014 -1.054 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.35 -40.07 95.14 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.337 -0.852 . . . . 0.0 110.642 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.556 ' O ' HG22 ' A' ' 14' ' ' VAL . 15.7 p -64.06 -43.56 95.12 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.776 -0.578 . . . . 0.0 109.755 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' B' ' 4' ' ' LEU . 95.0 mt -60.06 -40.04 88.08 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.549 -0.719 . . . . 0.0 112.667 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -81.57 -25.9 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 O-C-N 120.067 -1.646 . . . . 0.0 111.185 -178.509 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.99 -40.03 95.46 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.298 -1.501 . . . . 0.0 109.84 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.658 HG21 ' CG ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -85.13 -36.08 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.638 -0.664 . . . . 0.0 110.706 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.65 -49.95 75.76 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 110.315 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -76.19 -23.16 54.67 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.567 -0.708 . . . . 0.0 111.226 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.85 -62.72 1.5 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.571 -1.331 . . . . 0.0 111.564 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -64.12 -39.98 95.21 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.67 -1.269 . . . . 0.0 110.959 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 t -66.47 -14.63 62.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.299 -0.876 . . . . 0.0 111.343 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.23 13.42 55.27 Favored Glycine 0 N--CA 1.497 2.745 0 O-C-N 121.28 -0.888 . . . . 0.0 111.308 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp . . . . . 0 N--CA 1.492 1.669 0 O-C-N 120.369 -1.665 . . . . 0.0 108.086 178.919 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 . . . . . 0 N--CA 1.5 2.072 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 1.9 tpmt? -140.58 141.85 35.17 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.05 154.89 17.05 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 122.325 1.06 . . . . 0.0 110.662 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.431 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 73.4 m -126.11 160.01 31.3 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 178.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -45.06 -42.84 8.97 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.896 -1.128 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 64.9 tttm -69.98 -28.76 65.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 111.921 -178.792 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HB2' ' H ' ' A' ' 29' ' ' SER . 25.3 mt-10 -76.0 -39.97 54.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.607 -1.308 . . . . 0.0 108.606 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.362 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 17.0 ptmt -69.98 -32.67 71.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.773 -1.204 . . . . 0.0 112.928 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.81 -35.51 62.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.44 -1.412 . . . . 0.0 109.142 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 36' ' ' LEU . 5.6 tt -67.51 -37.97 83.58 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.635 -0.666 . . . . 0.0 111.41 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -82.09 -39.86 22.76 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.678 -1.264 . . . . 0.0 112.726 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 34' ' ' LYS . 4.4 pt20 -69.44 -39.98 77.48 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.759 -1.213 . . . . 0.0 110.282 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.4 m -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.356 0.598 . . . . 0.0 110.941 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.612 ' HB3' HD12 ' B' ' 4' ' ' LEU . 57.9 mm-40 -89.04 -50.02 6.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.36 -0.838 . . . . 0.0 111.28 -177.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.41 71.55 1.55 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.862 -1.149 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.0 m -81.61 139.32 35.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 83.6 -7.39 1.11 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.753 -0.592 . . . . 0.0 111.313 178.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -105.42 -77.9 0.58 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 mm? -96.04 120.52 36.46 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.67 91.36 3.56 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 122.37 1.081 . . . . 0.0 110.507 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.531 ' HB ' HG22 ' A' ' 54' ' ' VAL . 3.5 m -81.7 -22.46 10.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.988 -178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.432 ' OE1' ' OE1' ' A' ' 38' ' ' GLN . 26.9 mt-30 -69.36 -60.1 2.56 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.993 -1.067 . . . . 0.0 113.026 -176.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.22 -30.01 64.5 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.937 -1.102 . . . . 0.0 111.814 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -94.91 94.19 7.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.71 -1.244 . . . . 0.0 109.728 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.425 -0.797 . . . . 0.0 110.146 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 32.6 p-10 -59.96 -37.44 79.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 0.0 109.017 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.85 -37.74 87.0 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.777 -0.577 . . . . 0.0 111.363 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' A' ' 47' ' ' VAL . 61.8 t -70.04 -56.49 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.957 -1.089 . . . . 0.0 111.829 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 58.7 t0 -64.29 -39.96 94.99 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.591 -1.318 . . . . 0.0 110.876 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -69.91 -40.03 75.83 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.313 -0.867 . . . . 0.0 111.516 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -80.11 -52.48 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.141 -0.974 . . . . 0.0 110.889 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 tpt -60.02 -44.87 94.31 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.492 -0.755 . . . . 0.0 110.825 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -69.95 -37.11 75.74 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.973 -1.079 . . . . 0.0 110.097 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -88.59 -17.52 29.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.026 -1.046 . . . . 0.0 109.823 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 57' ' ' ILE . 60.6 tp -83.2 -17.73 41.79 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.581 ' OD2' ' N ' ' A' ' 68' ' ' GLU . 10.5 t0 -92.43 45.55 1.21 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 103.123 -2.917 . . . . 0.0 103.123 173.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.0 tt0 -39.56 -19.48 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 111.455 -2.611 . . . . 0.0 110.649 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 62' ' ' ASP . 81.8 m-20 -87.72 -0.06 56.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.627 -1.296 . . . . 0.0 108.323 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.07 34.9 91.15 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.838 178.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 4.3 p-10 -102.22 -14.02 17.17 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.9 -1.353 . . . . 0.0 110.54 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.524 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -7.45 69.26 Favored Glycine 0 N--CA 1.501 3.01 0 O-C-N 120.665 -1.272 . . . . 0.0 110.874 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 99.6 mt-10 -118.43 142.19 47.8 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.8 t -102.64 134.0 44.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 110.711 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 92.0 m-20 -82.49 159.83 22.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 54.1 p90 -59.23 -39.57 83.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.0 109.682 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -63.17 -39.94 96.1 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.002 -1.061 . . . . 0.0 110.295 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.94 -40.1 75.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.622 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 78' ' ' VAL . 41.5 t80 -69.24 -40.06 78.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.368 -0.832 . . . . 0.0 112.303 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.95 -30.15 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.543 -0.723 . . . . 0.0 111.447 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -73.3 -58.09 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.015 -1.053 . . . . 0.0 111.768 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.03 88.45 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.803 -1.185 . . . . 0.0 112.497 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 74' ' ' PHE . 19.0 m -68.09 -37.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.514 -1.367 . . . . 0.0 111.317 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.532 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -73.22 -23.94 60.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.136 -0.978 . . . . 0.0 110.618 -178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.25 -51.17 26.04 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.348 -1.47 . . . . 0.0 109.732 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -64.19 -41.29 97.15 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.322 -0.862 . . . . 0.0 111.368 -178.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 83' ' ' VAL . 4.0 t -61.14 -49.36 77.58 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.991 -1.068 . . . . 0.0 110.373 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.526 HG11 ' CD1' ' B' ' 71' ' ' PHE . 96.0 t -64.29 -37.9 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.018 -1.051 . . . . 0.0 109.907 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.14 66.51 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.716 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.7 m -69.97 -40.07 75.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.785 -1.197 . . . . 0.0 110.087 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.591 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -68.96 -36.45 77.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.083 -1.011 . . . . 0.0 110.078 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.591 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 27.5 t-20 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.018 -1.051 . . . . 0.0 110.472 -178.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m . . . . . 0 N--CA 1.497 1.898 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.8 mt-10 -60.49 -54.96 39.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.341 -0.85 . . . . 0.0 110.052 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.658 ' CG ' HG21 ' A' ' 14' ' ' VAL . 82.4 mt -59.96 -36.11 76.41 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.869 -1.144 . . . . 0.0 109.925 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.76 -44.22 73.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.2 p -71.22 -30.59 66.54 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.427 -0.796 . . . . 0.0 110.053 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.77 -50.07 75.24 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.843 . . . . 0.0 110.068 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.68 -40.45 92.19 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.299 -0.875 . . . . 0.0 110.208 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.3 -39.98 95.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.456 -0.777 . . . . 0.0 110.622 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.553 ' O ' HG22 ' B' ' 14' ' ' VAL . 16.2 p -64.13 -43.53 94.97 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' A' ' 4' ' ' LEU . 95.4 mt -60.03 -40.03 87.93 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.563 -0.711 . . . . 0.0 112.709 -178.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.466 ' N ' HD13 ' B' ' 12' ' ' ILE . 0.1 OUTLIER -81.04 -28.07 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 O-C-N 120.104 -1.623 . . . . 0.0 110.988 -178.432 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.17 -40.0 94.55 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.527 -1.358 . . . . 0.0 109.819 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.639 HG21 ' CG ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.3 -36.29 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.583 -0.698 . . . . 0.0 110.689 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.51 -49.99 75.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.32 -0.862 . . . . 0.0 110.308 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -76.19 -23.41 54.66 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.61 -0.681 . . . . 0.0 111.108 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.59 -62.7 1.49 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.635 -1.291 . . . . 0.0 111.627 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -64.14 -40.0 95.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.642 -1.286 . . . . 0.0 111.039 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -66.41 -14.74 62.59 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.328 -0.858 . . . . 0.0 111.446 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.16 13.53 55.48 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.273 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp . . . . . 0 N--CA 1.493 1.696 0 O-C-N 120.441 -1.623 . . . . 0.0 108.04 178.886 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 . . . . . 0 N--CA 1.501 2.088 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.475 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 1.9 tpmt? -140.5 142.07 35.29 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.27 154.65 17.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.305 1.05 . . . . 0.0 110.589 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.431 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 74.6 m -125.51 160.67 28.94 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -45.74 -43.01 12.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 65.0 tttm -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 111.905 -178.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.431 ' HB2' ' H ' ' B' ' 29' ' ' SER . 25.3 mt-10 -76.09 -39.78 54.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.524 -1.36 . . . . 0.0 108.554 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.94 -50.04 75.3 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.403 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.482 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -70.03 -32.74 71.03 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.865 -1.147 . . . . 0.0 112.901 -176.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.55 -35.77 63.1 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.515 -1.366 . . . . 0.0 109.161 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.754 HD23 ' O ' ' B' ' 36' ' ' LEU . 5.5 tt -67.44 -37.8 83.56 Favored 'General case' 0 C--N 1.29 -2.022 0 O-C-N 121.685 -0.635 . . . . 0.0 111.493 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.33 -39.99 22.05 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.61 -1.306 . . . . 0.0 112.623 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' B' ' 34' ' ' LYS . 4.5 pt20 -69.2 -39.95 78.32 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.686 -1.259 . . . . 0.0 110.306 -178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.1 m -76.12 -45.65 32.7 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.434 0.635 . . . . 0.0 110.889 -177.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.619 ' HB3' HD12 ' A' ' 4' ' ' LEU . 58.6 mm-40 -88.98 -50.05 6.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.398 -0.814 . . . . 0.0 111.304 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -100.34 71.59 1.57 Allowed 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.882 -1.136 . . . . 0.0 109.501 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' B' ' 43' ' ' SER . 32.5 m -81.55 139.34 35.15 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 83.51 -7.45 1.13 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.741 -0.599 . . . . 0.0 111.35 178.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.3 -77.85 0.58 Allowed 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -96.25 120.78 37.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.8 91.22 3.52 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.408 1.099 . . . . 0.0 110.467 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.515 ' HB ' HG22 ' B' ' 54' ' ' VAL . 3.4 m -81.49 -22.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.071 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' B' ' 38' ' ' GLN . 27.0 mt-30 -69.26 -60.09 2.57 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 113.041 -176.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.16 -29.95 64.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.97 -1.081 . . . . 0.0 111.886 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.4 ' O ' HG23 ' B' ' 54' ' ' VAL . 96.0 m-20 -94.94 94.18 7.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.647 -1.283 . . . . 0.0 109.641 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.473 -0.767 . . . . 0.0 110.157 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 32.5 p-10 -60.03 -37.36 79.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.002 . . . . 0.0 108.983 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.86 -34.82 78.64 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.734 -0.603 . . . . 0.0 111.818 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.515 HG22 ' HB ' ' B' ' 47' ' ' VAL . 58.7 t -72.34 -56.41 10.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.907 -1.121 . . . . 0.0 111.7 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 59.2 t0 -64.1 -40.03 95.33 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 120.564 -1.335 . . . . 0.0 110.777 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -70.08 -39.9 75.33 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 111.616 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.8 mt -80.02 -52.56 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.018 . . . . 0.0 110.708 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -60.04 -44.64 94.52 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.539 -0.726 . . . . 0.0 110.855 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -70.11 -36.93 75.19 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.944 -1.098 . . . . 0.0 110.037 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.69 -17.64 29.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.976 -1.078 . . . . 0.0 109.801 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' B' ' 57' ' ' ILE . 61.0 tp -83.16 -17.69 42.02 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 10.3 t0 -92.49 45.37 1.19 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 173.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.1 tt0 -39.43 -19.44 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 111.495 -2.593 . . . . 0.0 110.665 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 62' ' ' ASP . 81.7 m-20 -87.69 -0.02 56.32 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.598 -1.314 . . . . 0.0 108.347 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.66 33.35 87.0 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.014 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.4 p-10 -101.26 -13.79 17.93 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.828 -1.395 . . . . 0.0 110.542 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.519 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.17 -7.2 68.16 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.676 -1.265 . . . . 0.0 110.835 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.586 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 99.9 mt-10 -118.5 142.15 47.87 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -101.84 134.32 42.7 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.149 0 O-C-N 120.916 -1.115 . . . . 0.0 110.833 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.475 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 92.3 m-20 -82.73 159.78 22.48 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.0 p90 -59.23 -39.85 84.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 0.0 109.646 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -62.84 -39.94 95.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.04 -1.037 . . . . 0.0 110.303 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.761 -1.212 . . . . 0.0 110.658 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 78' ' ' VAL . 41.0 t80 -69.36 -39.97 77.76 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.297 -0.877 . . . . 0.0 112.364 -178.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.0 -30.05 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 111.515 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -73.38 -57.96 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 111.826 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.71 -40.02 88.27 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.834 -1.166 . . . . 0.0 112.435 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 74' ' ' PHE . 18.4 m -68.33 -37.76 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.491 -1.381 . . . . 0.0 111.269 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.529 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.36 -23.68 60.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.185 -0.947 . . . . 0.0 110.696 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -55.66 8.71 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.215 -1.553 . . . . 0.0 108.761 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -59.96 -42.45 94.12 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.67 -0.644 . . . . 0.0 111.562 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.491 HG23 ' N ' ' B' ' 83' ' ' VAL . 4.0 t -60.76 -49.63 76.73 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.845 -1.159 . . . . 0.0 110.516 -178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.491 ' N ' HG23 ' B' ' 82' ' ' THR . 93.9 t -64.06 -37.62 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.012 -1.055 . . . . 0.0 109.854 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.14 -28.1 66.15 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.755 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.04 -39.97 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.771 -1.206 . . . . 0.0 110.078 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' B' ' 87' ' ' ASN . 0.6 OUTLIER -68.9 -36.45 78.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.107 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.586 ' N ' ' ND2' ' B' ' 86' ' ' ASN . 27.2 t-20 . . . . . 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.53 -179.023 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 58.6 t60 . . . . . 0 N--CA 1.488 1.433 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -59.93 -48.83 80.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.494 -0.754 . . . . 0.0 109.173 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 26.7 tp -60.43 -49.87 75.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.121 -0.987 . . . . 0.0 110.832 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -66.76 -40.22 88.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.819 -1.176 . . . . 0.0 109.091 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 91.4 p . . . . . 0 N--CA 1.486 1.348 0 O-C-N 121.151 -0.968 . . . . 0.0 108.831 179.508 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 t60 . . . . . 0 N--CA 1.487 1.409 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -59.94 -48.93 79.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.575 -0.703 . . . . 0.0 109.276 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 25.8 tp -60.19 -49.99 75.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 0.0 110.767 -179.258 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.9 -40.06 87.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.867 -1.146 . . . . 0.0 109.075 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p . . . . . 0 C--N 1.303 -1.414 0 O-C-N 121.17 -0.956 . . . . 0.0 108.725 179.541 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p . . . . . 0 N--CA 1.498 1.925 0 N-CA-C 109.252 -0.647 . . . . 0.0 109.252 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 6' ' ' THR . 43.9 mt-10 -66.72 -53.52 32.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 110.702 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.503 HD13 HD23 ' B' ' 11' ' ' LEU . 15.2 tp -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.342 -0.849 . . . . 0.0 110.341 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -54.24 -48.63 70.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.046 -1.034 . . . . 0.0 109.18 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 21.7 p -64.6 -30.62 71.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.765 -0.585 . . . . 0.0 110.684 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -59.09 -49.9 76.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.355 -0.84 . . . . 0.0 110.87 -177.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.707 ' SD ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.99 -40.08 87.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.34 -1.475 . . . . 0.0 109.085 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.43 -39.93 92.61 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.667 0.746 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 7.8 p -67.76 -45.52 74.68 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.672 -0.643 . . . . 0.0 111.248 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 HD13 ' B' ' 4' ' ' LEU . 65.7 mt -59.99 -44.11 94.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 110.754 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.707 HD11 ' SD ' ' A' ' 8' ' ' MET . 51.2 mt -72.9 -30.95 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 111.64 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' OE1' ' B' ' 3' ' ' GLU . 0.4 OUTLIER -60.99 -39.82 91.12 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.253 -1.529 . . . . 0.0 108.854 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -35.45 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -59.96 -48.1 83.1 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.589 -1.319 . . . . 0.0 110.548 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -78.82 -22.88 45.53 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.646 -0.659 . . . . 0.0 112.043 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.38 -57.98 3.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.462 -1.399 . . . . 0.0 111.787 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -77.33 -28.57 53.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.161 -1.587 . . . . 0.0 111.401 -178.152 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.555 ' OG ' HD11 ' A' ' 28' ' ' LEU . 68.2 m -67.12 -3.84 8.57 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.699 -1.251 . . . . 0.0 110.191 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.15 16.52 42.22 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt . . . . . 0 N--CA 1.487 1.412 0 O-C-N 121.293 -1.122 . . . . 0.0 109.427 178.863 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 p90 . . . . . 0 N--CA 1.495 1.792 0 N-CA-C 112.644 0.609 . . . . 0.0 112.644 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -137.24 143.73 42.41 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.138 -1.601 . . . . 0.0 108.976 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' OG ' ' A' ' 19' ' ' SER . 2.9 mm? -97.79 156.86 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.115 0.959 . . . . 0.0 111.214 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -131.04 162.47 29.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HA ' HD21 ' A' ' 33' ' ' LEU . 75.5 tttt -46.38 -39.98 11.25 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.06 -1.025 . . . . 0.0 111.775 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.34 -25.07 59.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.52 -1.363 . . . . 0.0 112.046 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 89.4 mt-10 -80.61 -34.1 35.35 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.356 -1.465 . . . . 0.0 111.499 -178.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 30' ' ' LYS . 3.0 pp -75.02 -35.26 61.97 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.796 -1.19 . . . . 0.0 109.743 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.29 -40.92 92.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.047 -1.033 . . . . 0.0 111.267 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.65 -26.45 41.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.705 -1.247 . . . . 0.0 110.948 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 62.2 tp -63.68 -38.92 92.95 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.993 -1.067 . . . . 0.0 111.231 -178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.33 -33.94 23.79 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -0.987 . . . . 0.0 112.901 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.518 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 2.6 pp0? -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.533 -1.354 . . . . 0.0 109.815 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.518 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 8.4 m -80.28 -50.01 10.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 111.678 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 71.0 mm-40 -88.23 -56.62 3.25 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.267 -0.896 . . . . 0.0 111.977 -177.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.64 73.55 1.62 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.147 -0.971 . . . . 0.0 109.763 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -82.64 -19.99 37.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.633 -0.667 . . . . 0.0 111.928 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.5 m -107.24 3.35 25.44 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.889 -1.132 . . . . 0.0 111.437 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.27 -85.74 0.61 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.076 -1.015 . . . . 0.0 109.103 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 81' ' ' LEU . 3.5 mm? -63.9 135.05 56.23 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 20.9 p-10 -118.41 148.96 42.01 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 4.2 m -151.2 -36.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.662 -1.606 . . . . 0.0 106.662 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -83.71 -31.4 26.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.791 -0.568 . . . . 0.0 110.365 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -60.05 -41.79 93.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.204 -0.935 . . . . 0.0 110.861 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.6 m-20 -129.13 111.9 13.41 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 110.23 -179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.07 -39.93 87.77 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.27 87.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.433 -0.792 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 54.6 t -70.08 -56.99 9.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.979 . . . . 0.0 111.96 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 48.4 t0 -62.16 -39.94 94.33 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 120.513 -1.367 . . . . 0.0 110.834 -177.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -69.58 -39.93 77.04 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.303 -0.873 . . . . 0.0 111.385 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.8 mt -80.86 -53.73 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.206 -0.933 . . . . 0.0 110.438 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.9 tpt -60.12 -46.95 87.92 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.657 -0.652 . . . . 0.0 111.77 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.92 -36.68 78.27 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.727 -1.233 . . . . 0.0 109.783 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -87.58 -16.99 33.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.046 -1.034 . . . . 0.0 109.451 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 63' ' ' GLU . 66.2 tp -86.69 -21.21 26.8 Favored 'General case' 0 N--CA 1.506 2.37 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 65' ' ' GLY . 35.4 t0 -89.78 48.61 1.61 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.9 pt-20 -40.7 -16.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 111.02 -2.809 . . . . 0.0 110.638 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 62' ' ' ASP . 23.8 m120 -87.47 4.9 41.55 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 54.52 38.62 63.58 Favored Glycine 0 N--CA 1.494 2.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.777 178.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.2 p30 -104.2 -10.49 17.87 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.909 -1.348 . . . . 0.0 110.679 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.05 -6.63 66.24 Favored Glycine 0 N--CA 1.502 3.06 0 O-C-N 120.649 -1.282 . . . . 0.0 110.861 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.5 mt-10 -120.31 143.4 48.38 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -103.04 132.71 48.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.115 -0.991 . . . . 0.0 111.758 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.05 155.2 27.68 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -59.98 -39.96 87.49 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.861 -1.149 . . . . 0.0 109.57 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.4 -39.73 88.43 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.207 -0.933 . . . . 0.0 111.155 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.44 -40.05 81.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.482 -1.386 . . . . 0.0 110.548 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.82 -49.89 68.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.398 -0.814 . . . . 0.0 111.913 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -60.1 -38.03 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.147 -0.97 . . . . 0.0 112.046 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.19 -60.03 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.876 -1.14 . . . . 0.0 111.889 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.601 ' O ' HD13 ' A' ' 77' ' ' LEU . 1.0 OUTLIER -69.42 -44.7 70.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.153 -0.967 . . . . 0.0 111.565 -176.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.78 -39.97 86.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.066 -1.021 . . . . 0.0 111.056 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.42 -23.3 62.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.95 -26.99 64.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.748 . . . . 0.0 110.402 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.45 ' HB2' HD11 ' A' ' 45' ' ' LEU . 27.5 mt -86.47 -40.6 15.15 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 -178.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -45.15 90.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.487 -1.383 . . . . 0.0 109.104 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 84' ' ' ALA . 9.8 p -70.27 -43.25 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.481 -0.762 . . . . 0.0 110.252 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.99 -32.92 73.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.413 -0.805 . . . . 0.0 110.407 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.372 -0.83 . . . . 0.0 109.236 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.06 -39.41 85.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.5 -0.75 . . . . 0.0 109.443 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 . . . . . 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.677 -179.562 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p . . . . . 0 N--CA 1.499 1.988 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' B' ' 6' ' ' THR . 43.6 mt-10 -66.42 -53.71 32.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.0 110.69 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 11' ' ' LEU . 16.2 tp -60.05 -39.97 87.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.244 -0.91 . . . . 0.0 110.513 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.42 -48.19 71.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.082 . . . . 0.0 109.069 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 20.9 p -65.13 -29.5 70.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.68 -0.638 . . . . 0.0 110.517 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.472 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.99 -49.51 77.38 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.742 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.675 ' SD ' HD11 ' B' ' 12' ' ' ILE . 0.0 OUTLIER -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.578 -1.326 . . . . 0.0 108.981 -179.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.45 -39.98 92.82 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.718 0.77 . . . . 0.0 110.235 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 7.8 p -67.63 -45.65 74.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.646 -0.659 . . . . 0.0 111.265 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.503 HD23 HD13 ' A' ' 4' ' ' LEU . 61.4 mt -59.83 -44.34 94.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.857 . . . . 0.0 110.936 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.675 HD11 ' SD ' ' B' ' 8' ' ' MET . 51.1 mt -71.8 -32.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.202 -0.936 . . . . 0.0 111.418 -178.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' OE1' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 120.57 -1.331 . . . . 0.0 108.551 -179.243 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -79.91 -35.35 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.367 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -60.1 -47.88 84.06 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.569 -1.332 . . . . 0.0 110.483 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -79.05 -22.78 44.87 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.67 -0.644 . . . . 0.0 111.929 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.46 -58.1 3.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.459 -1.401 . . . . 0.0 111.723 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' B' ' 19' ' ' SER . 0.3 OUTLIER -77.12 -28.85 54.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.142 -1.599 . . . . 0.0 111.456 -178.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.577 ' OG ' HD11 ' B' ' 28' ' ' LEU . 69.8 m -66.98 -3.63 7.61 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.749 -1.219 . . . . 0.0 110.184 -178.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.2 16.36 42.21 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.7 mttt . . . . . 0 C--N 1.304 -1.393 0 O-C-N 121.321 -1.105 . . . . 0.0 109.49 179.015 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 p90 . . . . . 0 N--CA 1.495 1.819 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -137.06 143.87 42.86 Favored 'General case' 0 N--CA 1.51 2.532 0 O-C-N 120.272 -1.518 . . . . 0.0 108.954 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.577 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.0 mm? -98.02 156.66 16.53 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.074 0.94 . . . . 0.0 111.218 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -130.85 162.12 30.31 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . 0.416 ' HA ' HD21 ' B' ' 33' ' ' LEU . 76.7 tttt -45.87 -39.99 9.35 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.076 -1.015 . . . . 0.0 111.767 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.78 -24.72 58.71 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.451 -1.406 . . . . 0.0 112.018 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . . . . . . . . . 90.7 mt-10 -80.66 -33.98 35.16 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.384 -1.448 . . . . 0.0 111.509 -179.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' B' ' 30' ' ' LYS . 3.0 pp -75.03 -35.53 61.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.819 -1.176 . . . . 0.0 109.73 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.13 -40.81 91.06 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.062 -1.024 . . . . 0.0 111.305 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 54.1 t0 -79.8 -26.24 40.62 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.766 -1.209 . . . . 0.0 110.863 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.433 ' HB2' ' CE1' ' B' ' 18' ' ' HIS . 62.3 tp -63.94 -38.78 92.34 Favored 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.042 -1.037 . . . . 0.0 111.313 -178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -84.26 -34.48 23.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.012 -1.055 . . . . 0.0 112.8 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.521 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 2.6 pp0? -69.39 -29.88 67.73 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.494 -1.379 . . . . 0.0 109.766 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.521 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 8.9 m -80.31 -50.13 10.6 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.663 -0.648 . . . . 0.0 111.684 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -88.23 -56.75 3.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 111.936 -177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -100.41 73.74 1.68 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.139 -0.975 . . . . 0.0 109.797 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -82.86 -19.82 36.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.637 -0.664 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -107.52 3.81 25.4 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.951 -1.093 . . . . 0.0 111.344 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.43 -85.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.111 -0.993 . . . . 0.0 109.056 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' B' ' 81' ' ' LEU . 3.4 mm? -63.79 135.12 56.38 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 20.9 p-10 -118.57 148.91 42.18 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 4.1 m -151.27 -36.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -83.4 -31.45 26.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.643 -0.661 . . . . 0.0 110.297 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -60.06 -41.65 92.83 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.251 -0.905 . . . . 0.0 110.774 -177.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -129.49 111.55 12.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.392 -0.818 . . . . 0.0 110.21 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -28.86 69.86 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -59.99 -40.05 87.83 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.97 81.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.595 -0.691 . . . . 0.0 111.314 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 48.2 t -71.99 -56.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 111.814 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 48.9 t0 -62.2 -40.04 94.75 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.567 -1.333 . . . . 0.0 110.709 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.58 -39.85 77.06 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.359 -0.838 . . . . 0.0 111.456 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' B' ' 61' ' ' LEU . 83.1 mt -80.83 -53.96 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.174 -0.954 . . . . 0.0 110.452 -177.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.0 tpt -59.98 -46.47 89.34 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.666 -0.646 . . . . 0.0 111.777 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.37 -36.46 76.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.648 -1.282 . . . . 0.0 109.848 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -87.66 -17.13 32.53 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' B' ' 57' ' ' ILE . 65.9 tp -86.49 -21.61 26.9 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' B' ' 65' ' ' GLY . 35.3 t0 -89.51 48.83 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.529 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.9 pt-20 -40.91 -16.78 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 110.912 -2.858 . . . . 0.0 110.636 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 62' ' ' ASP . 24.1 m120 -87.38 4.88 41.36 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 55.14 37.11 62.95 Favored Glycine 0 N--CA 1.494 2.554 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.854 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -103.06 -10.56 18.8 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.872 -1.369 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 81.67 -6.06 67.0 Favored Glycine 0 N--CA 1.499 2.839 0 O-C-N 120.68 -1.262 . . . . 0.0 110.682 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.59 142.82 49.03 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.49 132.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 O-C-N 120.981 -1.074 . . . . 0.0 112.122 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -80.08 155.16 27.66 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -59.9 -40.17 87.89 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.782 -1.199 . . . . 0.0 109.477 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.42 -39.69 88.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.262 -0.899 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.53 -39.91 80.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.477 -1.389 . . . . 0.0 110.65 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -64.74 -50.03 68.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.401 -0.812 . . . . 0.0 111.728 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -59.95 -38.27 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.116 -0.99 . . . . 0.0 112.124 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.06 -60.17 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.853 -1.154 . . . . 0.0 111.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.613 ' O ' HD13 ' B' ' 77' ' ' LEU . 1.1 tm? -69.2 -44.78 71.43 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.077 -1.015 . . . . 0.0 111.473 -176.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t -65.62 -39.97 86.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.195 -0.941 . . . . 0.0 111.33 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.31 -23.36 62.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -21.28 61.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.516 -0.74 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.453 ' HB2' HD11 ' B' ' 45' ' ' LEU . 21.6 mt -91.39 -39.99 11.69 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.746 -1.221 . . . . 0.0 111.035 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 82' ' ' THR . 0.1 OUTLIER -64.1 -44.66 91.62 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 118.15 -1.42 . . . . 0.0 109.016 -179.022 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.507 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.8 p -70.65 -43.65 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.412 -0.805 . . . . 0.0 110.138 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.507 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.62 -33.05 73.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 110.307 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.4 t -61.85 -39.85 93.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.226 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.87 -39.59 85.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.453 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 . . . . . 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 109.66 -179.37 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 . . . . . 0 N--CA 1.491 1.603 0 CA-C-O 121.114 0.483 . . . . 0.0 110.495 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -60.01 -49.89 75.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.0 110.161 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 57' ' ' ILE . 38.6 tp -60.06 -50.04 75.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 0.0 110.999 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 42.6 mt -68.84 -39.93 79.7 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.149 -0.969 . . . . 0.0 109.558 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 36.8 t . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.031 -1.043 . . . . 0.0 110.031 -179.804 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.035 0.445 . . . . 0.0 110.386 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.027 -1.045 . . . . 0.0 110.017 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.481 HD13 HD11 ' B' ' 57' ' ' ILE . 42.2 tp -60.08 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 0.0 111.0 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.73 -40.02 80.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.0 109.508 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 38.3 t . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 0.0 110.119 -179.734 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.497 1.917 0 N-CA-C 108.686 -0.857 . . . . 0.0 108.686 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.604 ' OE1' HG22 ' B' ' 10' ' ' THR . 71.1 mm-40 -68.84 -53.15 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.495 -0.753 . . . . 0.0 109.941 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.546 ' CD1' HD23 ' B' ' 11' ' ' LEU . 15.3 tp -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-O 121.524 0.678 . . . . 0.0 110.129 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -56.56 -48.43 77.34 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.376 1.084 . . . . 0.0 108.897 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.469 HG22 HG21 ' B' ' 10' ' ' THR . 0.3 OUTLIER -65.17 -26.01 67.98 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -59.32 -48.61 80.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.026 -1.046 . . . . 0.0 109.779 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttt -60.01 -40.01 87.81 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.253 -0.905 . . . . 0.0 110.09 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.99 -39.97 94.04 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.335 -0.853 . . . . 0.0 110.501 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.523 HG22 ' OE1' ' B' ' 3' ' ' GLU . 17.3 p -71.61 -45.58 61.71 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.402 0.62 . . . . 0.0 112.152 -177.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.531 HD23 ' CD1' ' B' ' 4' ' ' LEU . 54.3 mt -59.96 -42.2 93.59 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.535 -0.728 . . . . 0.0 111.806 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -80.28 -27.27 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.082 -1.011 . . . . 0.0 111.479 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.27 85.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.289 -1.507 . . . . 0.0 108.351 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 14' ' ' VAL . 17.3 m -78.68 -35.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.324 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 17.8 m-30 -60.04 -51.04 71.32 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.942 -1.099 . . . . 0.0 110.964 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -79.19 -26.5 42.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.477 -0.765 . . . . 0.0 111.921 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.04 2.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.388 -1.445 . . . . 0.0 110.539 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.1 m80 -66.54 -38.27 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.849 -1.157 . . . . 0.0 110.472 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 t -64.9 -12.57 50.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.097 -1.002 . . . . 0.0 111.768 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.71 14.58 60.36 Favored Glycine 0 N--CA 1.498 2.818 0 O-C-N 121.267 -0.895 . . . . 0.0 111.005 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.7 mttt . . . . . 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.385 . . . . 0.0 109.229 179.121 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 . . . . . 0 N--CA 1.493 1.678 0 CA-C-O 121.921 0.867 . . . . 0.0 111.138 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.3 144.85 30.98 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 28' ' ' LEU . 4.2 mm? -96.38 149.34 21.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.789 -1.194 . . . . 0.0 110.284 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 56.4 m -124.5 160.77 27.54 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -48.83 -44.54 39.52 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.557 -1.34 . . . . 0.0 110.657 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -68.14 -28.97 67.77 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.546 -1.346 . . . . 0.0 111.594 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.473 ' HB2' ' H ' ' A' ' 29' ' ' SER . 85.1 mt-10 -78.36 -36.25 46.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.674 -1.266 . . . . 0.0 108.725 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' HE2' ' A' ' 34' ' ' LYS . 64.4 tp -60.0 -49.99 75.5 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.712 -0.618 . . . . 0.0 112.232 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HE2' HD23 ' A' ' 33' ' ' LEU . 18.0 mmtt -67.63 -41.76 83.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.82 -1.175 . . . . 0.0 112.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.06 -30.01 69.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 108.723 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 74' ' ' PHE . 48.0 tp -60.02 -39.33 85.45 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 41' ' ' LEU . 57.6 mt -83.04 -41.6 18.46 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 120.231 -1.543 . . . . 0.0 112.12 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.06 -16.21 53.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.727 -1.233 . . . . 0.0 111.348 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.2 m -90.36 -28.48 18.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.416 -1.427 . . . . 0.0 109.369 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mp0 -109.86 -39.46 5.07 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mt -102.22 136.18 42.52 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.284 1.04 . . . . 0.0 108.447 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.0 m -50.52 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.357 -0.84 . . . . 0.0 111.198 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 m -161.38 42.25 0.15 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 0.0 110.684 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.98 -40.0 48.39 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.426 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -94.85 128.73 41.81 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 175.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -98.26 146.69 25.39 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.131 -0.98 . . . . 0.0 109.218 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -151.0 -33.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -79.99 -68.53 0.66 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.361 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.01 -38.94 84.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.979 -1.075 . . . . 0.0 110.761 -178.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.06 90.24 5.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.613 -1.305 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.19 69.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.368 -0.832 . . . . 0.0 109.338 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.92 -38.4 82.22 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -62.93 -38.51 91.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.615 -0.678 . . . . 0.0 110.825 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.401 HG13 ' CE ' ' A' ' 34' ' ' LYS . 67.4 t -69.37 -55.87 13.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.897 -1.127 . . . . 0.0 112.294 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.95 -39.97 90.93 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.631 -1.293 . . . . 0.0 110.819 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -69.25 -39.96 78.16 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.275 -0.89 . . . . 0.0 111.061 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -78.59 -54.18 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 110.466 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.9 tpt -59.99 -43.54 95.1 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.781 -0.574 . . . . 0.0 112.159 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -68.98 -36.17 77.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.798 -1.189 . . . . 0.0 110.083 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -92.14 -25.86 18.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.03 -1.044 . . . . 0.0 109.724 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.566 ' C ' ' H ' ' A' ' 63' ' ' GLU . 64.1 tp -69.97 -36.08 74.94 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.578 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 8.2 t70 -76.7 54.53 0.98 Allowed 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 174.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.566 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.1 tp10 -48.69 -22.13 0.73 Allowed 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 111.395 -2.639 . . . . 0.0 110.448 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -85.13 -0.08 53.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.631 -1.293 . . . . 0.0 107.777 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.34 31.87 78.82 Favored Glycine 0 N--CA 1.495 2.617 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.912 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.573 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 9.7 p-10 -97.81 -12.35 22.31 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.897 -1.355 . . . . 0.0 109.842 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.578 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -6.03 75.49 Favored Glycine 0 N--CA 1.498 2.78 0 O-C-N 120.759 -1.213 . . . . 0.0 110.275 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.545 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.0 mt-10 -120.15 143.14 48.36 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -101.86 131.23 50.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 CA-C-O 122.168 0.985 . . . . 0.0 111.0 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.0 152.94 32.83 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.12 71.27 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.548 -1.345 . . . . 0.0 108.863 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.04 -39.95 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.428 -1.42 . . . . 0.0 109.652 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.458 ' CE2' HD21 ' A' ' 37' ' ' LEU . 26.0 t80 -61.31 -40.06 92.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.729 -0.607 . . . . 0.0 112.345 -178.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 2.4 p -71.97 -32.98 46.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 O-C-N 121.131 -0.98 . . . . 0.0 110.88 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.73 -59.62 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.09 -1.006 . . . . 0.0 112.106 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.47 -41.66 69.1 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.656 -1.277 . . . . 0.0 112.96 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 82' ' ' THR . 18.5 t -69.98 -40.18 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.491 -1.381 . . . . 0.0 110.906 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -74.13 -25.57 59.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.325 -0.859 . . . . 0.0 108.809 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -31.32 71.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.465 -0.772 . . . . 0.0 110.214 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.503 HD11 HD21 ' C' ' 8' ' ' LEU . 79.1 mt -90.72 -29.0 17.94 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.144 -0.973 . . . . 0.0 110.49 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.508 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 37.1 p -60.82 -54.75 41.35 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.092 -1.005 . . . . 0.0 110.629 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 83' ' ' VAL . 20.1 m -80.68 -33.28 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.768 -1.207 . . . . 0.0 111.031 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.998 -1.064 . . . . 0.0 110.764 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 82' ' ' THR . 22.2 p -68.84 -39.06 80.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.107 -0.995 . . . . 0.0 108.724 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.6 t-20 -59.88 -36.44 76.93 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.543 -0.723 . . . . 0.0 109.529 179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.7 t30 . . . . . 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.692 -179.234 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p . . . . . 0 N--CA 1.498 1.948 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE1' HG22 ' A' ' 10' ' ' THR . 71.1 mm-40 -68.78 -53.46 21.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.511 -0.743 . . . . 0.0 109.883 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.531 ' CD1' HD23 ' A' ' 11' ' ' LEU . 18.8 tp -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.402 0.62 . . . . 0.0 109.967 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -56.43 -48.58 76.71 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.415 1.102 . . . . 0.0 108.932 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 10' ' ' THR . 0.3 OUTLIER -65.05 -25.47 67.83 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.431 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -60.01 -48.26 82.44 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.668 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.397 -0.814 . . . . 0.0 109.999 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.77 -40.03 93.72 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.973 0.892 . . . . 0.0 110.363 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.604 HG22 ' OE1' ' A' ' 3' ' ' GLU . 16.8 p -71.59 -45.57 61.8 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.419 0.628 . . . . 0.0 112.297 -177.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.546 HD23 ' CD1' ' A' ' 4' ' ' LEU . 50.5 mt -60.05 -41.52 92.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.715 . . . . 0.0 111.864 -178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mt -79.91 -29.72 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.126 -0.984 . . . . 0.0 111.026 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.66 -38.95 79.25 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.518 -1.364 . . . . 0.0 108.127 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.2 -35.18 17.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.361 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 17.9 m-30 -60.02 -51.08 71.2 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.881 -1.137 . . . . 0.0 110.9 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -79.39 -26.09 42.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 111.958 -177.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.97 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.325 -1.485 . . . . 0.0 110.483 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . 0.529 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 76.5 m80 -66.56 -38.44 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.827 -1.171 . . . . 0.0 110.447 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -64.89 -12.08 44.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.232 -0.917 . . . . 0.0 111.756 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 13.9 60.23 Favored Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.299 -0.875 . . . . 0.0 111.006 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 N--CA 1.49 1.551 0 O-C-N 120.712 -1.463 . . . . 0.0 109.532 179.183 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 . . . . . 0 N--CA 1.493 1.701 0 CA-C-O 121.818 0.818 . . . . 0.0 111.104 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.54 144.89 30.79 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 176.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.463 ' N ' HD22 ' B' ' 28' ' ' LEU . 4.2 mm? -96.34 149.07 22.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.747 -1.22 . . . . 0.0 110.331 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.481 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 55.2 m -124.23 160.62 27.54 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -48.84 -44.17 39.3 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.673 -1.267 . . . . 0.0 110.74 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.44 -27.67 65.45 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.545 -1.347 . . . . 0.0 111.382 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.481 ' HB2' ' H ' ' B' ' 29' ' ' SER . 85.6 mt-10 -78.47 -36.41 45.29 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 108.78 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.12 -50.02 75.33 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.591 -0.693 . . . . 0.0 112.122 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.418 ' CE ' HG13 ' B' ' 54' ' ' VAL . 18.2 mmtt -67.21 -41.96 84.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.821 -1.175 . . . . 0.0 111.978 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.408 ' O ' ' OG1' ' B' ' 39' ' ' THR . 13.3 t70 -68.23 -29.8 68.71 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.8 -1.187 . . . . 0.0 108.768 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.6 tp -60.11 -39.49 86.41 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.739 -0.6 . . . . 0.0 112.531 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 41' ' ' LEU . 57.5 mt -83.35 -39.8 20.27 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.279 -1.513 . . . . 0.0 112.594 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -82.74 -16.06 49.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.242 -1.536 . . . . 0.0 111.266 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 31.9 m -90.02 -28.64 18.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.547 -1.345 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.529 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 12.8 mp0 -109.83 -39.33 5.12 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 37' ' ' LEU . 1.8 mt -102.33 136.18 42.62 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 122.244 1.021 . . . . 0.0 108.472 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.9 m -50.37 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.919 0 O-C-N 121.392 -0.817 . . . . 0.0 111.033 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m -161.13 42.69 0.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 110.684 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -77.04 -39.98 48.06 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.431 HD13 ' N ' ' B' ' 45' ' ' LEU . 0.5 OUTLIER -95.07 128.26 41.76 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 176.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 34.0 p-10 -97.96 146.66 25.26 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 121.207 -0.933 . . . . 0.0 109.192 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.04 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.94 -68.45 0.67 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.197 -0.939 . . . . 0.0 110.38 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.694 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.08 -38.96 84.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.004 -1.06 . . . . 0.0 110.784 -178.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -95.07 90.12 5.81 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.68 -1.263 . . . . 0.0 109.628 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.2 -32.9 69.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.904 . . . . 0.0 109.49 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.96 -38.32 82.16 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.523 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -63.97 -36.06 82.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.593 -0.692 . . . . 0.0 111.245 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.418 HG13 ' CE ' ' B' ' 34' ' ' LYS . 63.9 t -71.04 -55.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.908 -1.12 . . . . 0.0 112.105 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.93 -39.97 90.98 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.69 -1.256 . . . . 0.0 110.925 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -69.24 -40.06 78.11 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.271 -0.893 . . . . 0.0 111.029 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.4 mt -78.46 -54.19 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-O 121.753 0.787 . . . . 0.0 110.495 -176.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.1 tpt -59.99 -43.68 95.0 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.729 -0.607 . . . . 0.0 112.177 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.94 -35.87 77.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.859 -1.15 . . . . 0.0 110.183 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -92.48 -25.69 18.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 109.702 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' GLU . 64.4 tp -69.99 -36.25 75.03 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.589 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 8.3 t70 -76.64 54.62 0.97 Allowed 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.2 tp10 -48.65 -22.28 0.75 Allowed 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 111.285 -2.689 . . . . 0.0 110.327 -177.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -85.18 0.01 53.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.623 -1.298 . . . . 0.0 107.806 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.23 32.0 79.07 Favored Glycine 0 N--CA 1.495 2.625 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.921 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.583 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 9.6 p-10 -97.61 -12.91 21.94 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.997 -1.296 . . . . 0.0 109.725 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.589 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.97 -5.86 77.52 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.0 mt-10 -120.26 142.94 48.6 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -101.28 131.09 49.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 CA-C-O 122.275 1.036 . . . . 0.0 111.137 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.85 152.81 33.2 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -36.25 71.4 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.527 -1.358 . . . . 0.0 108.91 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.05 -39.94 87.73 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.195 -0.941 . . . . 0.0 110.892 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.6 -39.93 80.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.449 -1.407 . . . . 0.0 109.633 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 26.3 t80 -61.4 -39.97 92.68 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.727 -0.608 . . . . 0.0 112.439 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 2.0 p -71.6 -33.84 50.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 121.131 -0.981 . . . . 0.0 110.944 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.2 -59.82 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 111.977 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.18 -41.8 69.86 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.664 -1.273 . . . . 0.0 112.98 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.2 t -70.12 -40.05 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.487 -1.383 . . . . 0.0 110.934 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -73.8 -25.95 60.37 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.865 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.56 -23.72 67.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.514 -0.742 . . . . 0.0 111.067 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.464 HD11 HD21 ' D' ' 8' ' ' LEU . 79.0 mt -96.04 -28.98 14.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.002 -1.061 . . . . 0.0 109.783 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 35.3 p -61.01 -54.52 43.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.351 -0.843 . . . . 0.0 110.558 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.04 -33.56 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.839 -1.163 . . . . 0.0 110.916 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.044 -1.035 . . . . 0.0 110.826 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 82' ' ' THR . 23.0 p -68.87 -38.9 80.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.025 -1.047 . . . . 0.0 108.678 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.5 t-20 -59.92 -36.39 76.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.568 -0.708 . . . . 0.0 109.487 179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.566 -179.18 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' C' ' 10' ' ' SER . 82.6 t60 . . . . . 0 N--CA 1.487 1.403 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -60.07 -49.92 75.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.142 -0.974 . . . . 0.0 110.246 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 tp -63.92 -50.05 70.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.104 -0.998 . . . . 0.0 110.314 -179.37 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.9 mp -69.98 -39.96 75.64 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.63 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' C' ' 6' ' ' HIS . 44.2 t . . . . . 0 N--CA 1.494 1.752 0 O-C-N 120.959 -1.088 . . . . 0.0 109.532 -179.619 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . 0.419 ' O ' ' CB ' ' D' ' 10' ' ' SER . 83.2 t60 . . . . . 0 N--CA 1.488 1.43 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 61.1 tp -63.89 -49.95 70.67 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.029 -1.044 . . . . 0.0 110.312 -179.26 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.4 mp -70.04 -39.96 75.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' D' ' 6' ' ' HIS . 45.1 t . . . . . 0 N--CA 1.493 1.714 0 O-C-N 120.936 -1.102 . . . . 0.0 109.498 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p . . . . . 0 N--CA 1.498 1.968 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.6 mp0 -64.07 -53.06 55.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.311 -0.868 . . . . 0.0 110.469 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.458 HD13 HD23 ' B' ' 11' ' ' LEU . 15.4 tp -59.63 -39.04 83.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.461 -0.774 . . . . 0.0 110.476 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -54.92 -48.81 72.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.199 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 p -64.35 -33.81 76.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.757 -0.589 . . . . 0.0 110.623 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.601 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.77 -49.48 70.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -177.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.446 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 12.6 ttt -59.89 -39.75 86.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.592 -1.317 . . . . 0.0 109.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.51 -39.91 89.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.773 . . . . 0.0 110.329 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.57 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 23.1 p -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.642 -0.661 . . . . 0.0 111.914 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.422 HD23 HD13 ' B' ' 4' ' ' LEU . 69.5 mt -60.03 -40.07 88.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.873 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.08 -29.83 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.426 -0.796 . . . . 0.0 111.567 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.55 -39.99 93.1 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.381 -1.449 . . . . 0.0 108.605 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.1 m -82.06 -36.81 14.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.379 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.421 ' N ' HG23 ' A' ' 14' ' ' VAL . 55.8 t80 -59.92 -50.23 74.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 0.0 111.133 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -74.99 -24.16 58.38 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.726 -0.609 . . . . 0.0 110.766 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 -59.39 2.81 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.787 -1.195 . . . . 0.0 110.98 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.52 -39.96 77.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.377 -1.452 . . . . 0.0 111.318 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.15 -16.5 64.36 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.973 -1.08 . . . . 0.0 111.477 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.14 12.0 70.77 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp . . . . . 0 N--CA 1.49 1.527 0 O-C-N 120.657 -1.496 . . . . 0.0 107.28 178.364 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 120.711 0.291 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -94.47 141.56 28.45 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.79 158.6 15.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.834 -1.167 . . . . 0.0 110.591 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.582 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.0 t -130.75 163.82 26.45 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -46.89 -39.93 13.11 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.099 -1.001 . . . . 0.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -81.66 -26.26 34.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.569 -1.332 . . . . 0.0 112.365 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HB2' ' H ' ' A' ' 29' ' ' SER . 35.9 mt-10 -76.79 -31.42 56.98 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.355 -1.465 . . . . 0.0 110.275 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.47 -34.15 25.45 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.017 -1.052 . . . . 0.0 110.228 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -61.78 -40.98 97.09 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.025 -1.047 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -78.28 -31.45 48.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.197 -0.94 . . . . 0.0 110.144 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -64.53 -39.81 94.44 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.419 -0.801 . . . . 0.0 112.642 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -82.94 -39.02 21.98 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.859 -1.15 . . . . 0.0 112.657 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.3 pt20 -67.51 -40.0 85.14 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.82 -1.175 . . . . 0.0 110.339 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 20.9 m -81.89 -65.12 1.05 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.724 0.773 . . . . 0.0 112.161 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.97 -40.68 75.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.92 34.57 2.25 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 120.802 -1.186 . . . . 0.0 110.493 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 43' ' ' SER . 43.2 m -50.8 133.73 25.98 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 157.19 -47.66 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 CA-C-N 119.068 0.849 . . . . 0.0 110.679 179.275 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 67.4 t80 -160.96 -34.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 110.76 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.56 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -58.91 129.51 42.51 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -111.14 144.34 40.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.822 -1.174 . . . . 0.0 108.484 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 1.9 m -152.43 -30.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 38' ' ' GLN . 69.0 mm-40 -80.01 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.864 -1.147 . . . . 0.0 111.338 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.86 -31.13 70.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 0.0 110.983 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.32 91.35 6.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.928 -1.108 . . . . 0.0 109.739 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.84 77.04 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.785 . . . . 0.0 109.344 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.89 94.24 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.518 -0.738 . . . . 0.0 111.716 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 96.9 t -69.5 -56.32 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.809 -1.182 . . . . 0.0 111.974 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.08 -40.0 95.28 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.534 -1.354 . . . . 0.0 110.723 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.7 -39.97 73.13 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.225 -0.922 . . . . 0.0 111.805 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.5 mt -76.98 -54.72 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.097 -1.002 . . . . 0.0 109.847 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.425 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 5.5 tpt -60.02 -47.3 86.39 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.54 -0.725 . . . . 0.0 111.464 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.18 -39.94 90.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.153 -0.967 . . . . 0.0 110.138 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.99 -16.58 33.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.092 -1.005 . . . . 0.0 109.538 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 57' ' ' ILE . 63.7 tp -85.2 -18.57 33.66 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 65' ' ' GLY . 17.0 t0 -91.26 45.93 1.27 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 61' ' ' LEU . 51.1 tp10 -39.71 -19.58 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.511 -2.586 . . . . 0.0 110.53 -178.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 62' ' ' ASP . 28.5 m120 -87.67 1.28 54.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.637 -1.289 . . . . 0.0 108.233 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.18 36.02 91.74 Favored Glycine 0 N--CA 1.495 2.579 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.742 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 4.0 p30 -101.61 -14.08 17.57 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.836 -1.391 . . . . 0.0 110.585 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.535 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.75 -5.04 76.82 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 120.665 -1.272 . . . . 0.0 110.859 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.8 mt-10 -123.18 143.74 49.82 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.425 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 62.6 t -107.72 129.04 62.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.223 -0.923 . . . . 0.0 110.071 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -80.43 166.28 21.4 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.7 p90 -59.97 -36.51 77.29 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.092 -1.005 . . . . 0.0 111.009 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' VAL . 61.9 tt0 -61.7 -41.84 98.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.492 -1.38 . . . . 0.0 110.811 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.04 -39.99 75.41 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.809 -1.182 . . . . 0.0 111.063 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.587 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.9 t80 -67.21 -39.96 86.36 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -74.86 -31.82 26.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.37 -0.831 . . . . 0.0 111.047 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -70.04 -58.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.38 -0.825 . . . . 0.0 111.902 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.51 -39.91 81.06 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.968 -1.083 . . . . 0.0 113.107 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 74' ' ' PHE . 15.2 m -66.2 -38.49 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.816 -1.178 . . . . 0.0 110.742 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.11 -27.26 59.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.56 -0.712 . . . . 0.0 110.943 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.03 65.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.563 -1.336 . . . . 0.0 108.421 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.409 ' HB2' HD11 ' A' ' 45' ' ' LEU . 48.1 mt -65.0 -34.68 79.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.707 -0.62 . . . . 0.0 110.213 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.2 m -60.42 -55.04 38.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.322 -0.861 . . . . 0.0 111.442 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' B' ' 71' ' ' PHE . 45.4 t -73.43 -39.78 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.101 -1.0 . . . . 0.0 110.876 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.98 84.28 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.383 0.611 . . . . 0.0 110.209 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 52.2 t -63.06 -40.07 96.6 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.85 . . . . 0.0 109.704 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.95 -40.24 88.33 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 95.2 m-20 . . . . . 0 N--CA 1.493 1.689 0 O-C-N 120.94 -1.1 . . . . 0.0 110.353 -179.307 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p . . . . . 0 N--CA 1.499 2.021 0 N-CA-C 109.27 -0.641 . . . . 0.0 109.27 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.6 mp0 -63.97 -52.73 58.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.325 -0.86 . . . . 0.0 110.532 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.422 HD13 HD23 ' A' ' 11' ' ' LEU . 17.7 tp -60.0 -39.36 85.53 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.672 -0.643 . . . . 0.0 110.323 -177.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.47 -49.17 70.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.073 -1.017 . . . . 0.0 109.269 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 39.8 p -64.43 -32.56 74.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.683 -0.636 . . . . 0.0 110.536 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.57 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.93 -48.74 75.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.376 -0.828 . . . . 0.0 110.381 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.2 ttt -59.97 -39.94 87.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.91 -1.119 . . . . 0.0 109.145 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.18 -40.06 88.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.552 -0.717 . . . . 0.0 110.127 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.601 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 22.5 p -70.59 -46.46 63.38 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.541 -0.725 . . . . 0.0 111.859 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.458 HD23 HD13 ' A' ' 4' ' ' LEU . 67.8 mt -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 0.0 110.874 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.02 -32.12 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 111.102 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.15 -39.92 88.05 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.567 -1.333 . . . . 0.0 108.542 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.417 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.3 m -82.12 -36.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.413 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.417 ' N ' HG23 ' B' ' 14' ' ' VAL . 56.0 t80 -60.0 -50.35 74.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.152 -0.967 . . . . 0.0 111.134 -178.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -74.96 -24.18 58.41 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.728 -0.607 . . . . 0.0 110.623 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.69 -59.74 2.65 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.841 -1.162 . . . . 0.0 111.077 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.31 -40.03 77.89 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.404 -1.435 . . . . 0.0 111.413 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.12 -16.58 64.41 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.949 -1.095 . . . . 0.0 111.499 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.29 12.27 70.06 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp . . . . . 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.428 . . . . 0.0 107.269 178.08 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 . . . . . 0 N--CA 1.489 1.495 0 CA-C-O 120.796 0.331 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.4 ' C ' HD22 ' B' ' 28' ' ' LEU . 6.2 tppt? -94.29 141.55 28.44 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.85 158.16 15.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.743 -1.223 . . . . 0.0 110.708 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.583 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.0 t -130.33 163.72 26.22 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -46.92 -39.96 13.28 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.052 -1.03 . . . . 0.0 110.707 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -81.64 -26.16 35.04 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.659 -1.275 . . . . 0.0 112.232 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.583 ' HB2' ' H ' ' B' ' 29' ' ' SER . 36.0 mt-10 -76.91 -31.51 56.76 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.222 -1.549 . . . . 0.0 110.296 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.32 -33.76 25.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.926 -1.109 . . . . 0.0 110.306 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.37 -41.06 98.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.064 -1.022 . . . . 0.0 110.071 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.12 -31.37 49.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.216 -0.927 . . . . 0.0 110.137 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.86 -39.3 93.33 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.453 -0.78 . . . . 0.0 112.693 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -83.25 -39.27 21.11 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.789 -1.194 . . . . 0.0 112.552 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' B' ' 39' ' ' THR . 12.7 pt20 -67.23 -40.01 86.28 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.773 -1.204 . . . . 0.0 110.338 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 20.3 m -81.82 -65.12 1.05 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.774 0.797 . . . . 0.0 112.152 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.01 -40.47 75.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 34.24 2.36 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.778 -1.201 . . . . 0.0 110.406 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 53.3 m -50.77 133.95 25.61 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 156.84 -48.18 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 119.077 0.853 . . . . 0.0 110.641 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.555 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 68.5 t80 -160.16 -35.2 0.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.737 -1.227 . . . . 0.0 110.686 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.567 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.7 mm? -58.55 129.13 40.59 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -110.87 144.3 40.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.805 -1.184 . . . . 0.0 108.521 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 1.6 m -152.42 -30.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.44 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 67.8 mm-40 -79.98 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 111.39 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.905 . . . . 0.0 111.018 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -94.19 91.46 6.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.906 -1.121 . . . . 0.0 109.623 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.62 76.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.308 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -59.95 -38.9 83.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.257 -0.902 . . . . 0.0 108.67 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.23 86.57 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.531 -0.731 . . . . 0.0 112.078 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 99.5 t -71.25 -56.71 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.79 -1.194 . . . . 0.0 111.72 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -63.71 -40.06 95.83 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.651 -1.281 . . . . 0.0 110.817 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.94 -39.95 72.32 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.174 -0.954 . . . . 0.0 111.633 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -76.81 -54.73 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.068 -1.02 . . . . 0.0 109.762 -177.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.431 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 5.2 tpt -59.95 -47.31 86.33 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.701 -0.624 . . . . 0.0 111.468 -178.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.44 -39.98 89.21 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.026 -1.046 . . . . 0.0 110.166 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -87.54 -16.84 33.49 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.204 -0.935 . . . . 0.0 109.523 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' B' ' 57' ' ' ILE . 61.4 tp -85.34 -18.38 33.99 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' B' ' 65' ' ' GLY . 17.0 t0 -91.35 45.81 1.26 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' B' ' 61' ' ' LEU . 51.2 tp10 -39.68 -19.53 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 111.602 -2.545 . . . . 0.0 110.511 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 62' ' ' ASP . 28.2 m120 -87.42 0.9 54.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.691 -1.256 . . . . 0.0 108.245 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 62.02 34.71 89.82 Favored Glycine 0 N--CA 1.493 2.492 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.871 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 4.0 p30 -100.97 -13.56 18.24 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.876 -1.367 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.26 -4.81 75.24 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 120.61 -1.306 . . . . 0.0 110.807 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.577 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.5 mt-10 -123.29 143.45 50.06 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.431 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 63.2 t -106.85 128.84 61.3 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 121.174 -0.954 . . . . 0.0 110.23 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.29 166.45 21.34 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.431 ' CD1' HG11 ' A' ' 83' ' ' VAL . 47.2 p90 -60.05 -36.51 77.47 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.042 -1.036 . . . . 0.0 110.969 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 60.7 tt0 -61.8 -41.59 97.93 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.444 -1.41 . . . . 0.0 110.815 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.25 -39.93 74.73 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.798 -1.189 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.588 ' O ' HG22 ' B' ' 78' ' ' VAL . 64.8 t80 -67.05 -40.09 87.07 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.93 -31.86 26.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 O-C-N 121.412 -0.805 . . . . 0.0 111.178 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.5 t -69.85 -58.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.472 -0.767 . . . . 0.0 112.107 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.55 -40.02 80.85 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.921 -1.112 . . . . 0.0 112.903 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.3 m -66.3 -38.13 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.651 -1.281 . . . . 0.0 110.674 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.509 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.47 -26.79 58.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.575 -0.703 . . . . 0.0 111.042 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.422 ' HB2' HD11 ' B' ' 45' ' ' LEU . 52.1 mt -60.11 -35.61 75.62 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.229 0.538 . . . . 0.0 110.29 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.446 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 61.8 m -60.49 -54.92 39.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.983 -1.073 . . . . 0.0 111.551 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 71' ' ' PHE . 42.4 t -73.64 -39.37 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.115 -0.991 . . . . 0.0 110.99 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.22 85.19 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.103 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.555 ' SG ' ' CE1' ' B' ' 44' ' ' PHE . 52.3 t -62.92 -40.03 96.37 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.438 -0.789 . . . . 0.0 109.69 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.06 -40.19 88.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.313 -0.867 . . . . 0.0 110.537 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 0.0 110.296 -179.294 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 . . . . . 0 N--CA 1.491 1.612 0 CA-C-O 120.753 0.311 . . . . 0.0 111.616 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.563 ' CE ' ' HZ2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -61.47 -40.16 93.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.592 -1.317 . . . . 0.0 111.024 -178.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 62.9 tp -60.35 -50.3 74.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.712 -1.243 . . . . 0.0 110.581 -179.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.3 mp -63.86 -39.99 95.49 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 80.4 p . . . . . 0 C--N 1.302 -1.49 0 O-C-N 121.21 -0.931 . . . . 0.0 108.534 178.112 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 120.761 0.315 . . . . 0.0 111.618 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . 0.492 ' CE ' ' HZ2' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -61.49 -40.02 93.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.627 -1.295 . . . . 0.0 111.1 -178.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -60.36 -50.1 74.94 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.753 -1.217 . . . . 0.0 110.307 -179.016 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.9 mp -63.9 -39.81 95.05 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.301 -0.875 . . . . 0.0 108.912 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 78.3 p . . . . . 0 C--N 1.301 -1.543 0 O-C-N 121.115 -0.99 . . . . 0.0 108.386 178.214 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m . . . . . 0 N--CA 1.498 1.926 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.32 -53.91 50.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.73 -0.607 . . . . 0.0 110.362 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' B' ' 40' ' ' GLU . 91.8 mt -59.91 -39.63 86.09 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.47 -40.83 65.6 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.744 -1.223 . . . . 0.0 108.031 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.789 HG22 HG21 ' B' ' 10' ' ' THR . 0.4 OUTLIER -72.2 -30.47 64.98 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.9 -53.14 61.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.14 -0.975 . . . . 0.0 110.039 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.35 -40.15 93.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.24 -0.912 . . . . 0.0 111.143 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -39.53 93.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.779 HG21 HG22 ' B' ' 6' ' ' THR . 17.4 p -69.66 -45.49 68.25 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.73 -0.607 . . . . 0.0 111.108 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.54 -40.16 90.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.627 -0.671 . . . . 0.0 111.972 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.39 -32.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.819 -1.175 . . . . 0.0 112.172 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -61.67 -39.88 92.98 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.26 -1.525 . . . . 0.0 109.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.439 HG21 HD21 ' B' ' 4' ' ' LEU . 33.9 m -75.46 -34.82 30.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.624 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -60.17 -54.83 41.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.055 -1.028 . . . . 0.0 111.074 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -73.18 -23.92 60.49 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.607 -0.683 . . . . 0.0 112.279 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.64 -60.16 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.394 -1.441 . . . . 0.0 111.493 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -76.31 -38.52 55.92 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.452 -1.405 . . . . 0.0 112.312 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.4 p -62.32 -21.26 65.13 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.945 -1.097 . . . . 0.0 112.551 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.69 19.18 42.36 Favored Glycine 0 N--CA 1.503 3.141 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? . . . . . 0 N--CA 1.489 1.52 0 O-C-N 120.879 -1.365 . . . . 0.0 109.253 179.72 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 . . . . . 0 N--CA 1.509 2.476 0 CA-C-O 122.217 1.008 . . . . 0.0 110.317 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HZ3' ' HB2' ' A' ' 27' ' ' LYS . 11.8 ttmm -142.66 143.16 32.23 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.6 tp -91.59 154.88 18.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.95 -1.094 . . . . 0.0 108.406 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.485 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 38.2 t -129.44 164.08 24.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.395 -0.816 . . . . 0.0 109.658 -178.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -52.58 -47.05 67.12 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.175 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -73.59 -35.04 65.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.975 -1.078 . . . . 0.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HB2' ' H ' ' A' ' 29' ' ' SER . 95.5 mt-10 -70.39 -31.91 69.33 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.352 -0.843 . . . . 0.0 110.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.68 ' O ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -82.08 -33.23 29.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 0.0 110.466 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.17 -43.99 95.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.161 -0.962 . . . . 0.0 110.904 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.65 -27.36 31.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.108 -0.995 . . . . 0.0 111.186 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.7 -40.48 76.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 112.085 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.721 HD23 ' H ' ' A' ' 38' ' ' GLN . 1.1 pt? -83.88 -39.96 19.22 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.323 -0.86 . . . . 0.0 111.944 -177.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.721 ' H ' HD23 ' A' ' 37' ' ' LEU . 1.7 pp0? -66.54 -38.4 87.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.606 -1.309 . . . . 0.0 110.205 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -66.09 -42.67 89.0 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.171 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.577 ' HB2' HD12 ' B' ' 4' ' ' LEU . 7.7 mt-10 -100.75 -19.66 15.92 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.706 -1.246 . . . . 0.0 111.068 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -122.12 73.86 1.12 Allowed 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.007 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 43' ' ' SER . 73.2 p -85.64 141.0 30.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.424 0.631 . . . . 0.0 109.435 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER 73.75 -3.14 2.57 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.373 -0.83 . . . . 0.0 111.007 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.76 -61.14 1.69 Allowed 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.464 HD21 HD21 ' A' ' 81' ' ' LEU . 1.9 mm? -103.29 136.84 42.31 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 15.9 p-10 -118.79 150.52 39.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.076 -1.015 . . . . 0.0 108.868 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.656 HG11 HD21 ' A' ' 37' ' ' LEU . 10.8 m -154.27 -38.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.512 ' N ' HG23 ' A' ' 47' ' ' VAL . 23.8 mt-30 -70.21 -52.04 26.33 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.201 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptpt -69.28 -41.04 77.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.077 -1.014 . . . . 0.0 110.749 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 49' ' ' LYS . 57.7 t0 -100.52 95.35 6.66 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.427 -0.796 . . . . 0.0 110.112 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.77 71.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.454 -0.779 . . . . 0.0 109.018 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -65.0 -38.35 90.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.342 -0.849 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.4 HG22 ' HB ' ' A' ' 47' ' ' VAL . 47.9 t -69.93 -55.08 16.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 120.898 -1.126 . . . . 0.0 111.761 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.34 -40.01 81.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.706 -1.246 . . . . 0.0 111.266 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.563 ' HZ2' ' CE ' ' C' ' 7' ' ' LYS . 0.7 OUTLIER -69.04 -40.0 78.83 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.976 -1.077 . . . . 0.0 111.473 -178.265 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -77.1 -54.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.212 -0.93 . . . . 0.0 110.607 -177.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.501 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -62.61 -45.28 93.6 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.674 -0.641 . . . . 0.0 112.084 -177.219 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . 0.427 ' CB ' ' NZ ' ' A' ' 59' ' ' LYS . 8.8 mtmp? -65.53 -38.62 90.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.772 -1.205 . . . . 0.0 109.527 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -87.39 -16.21 35.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.134 -0.979 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.1 tp -90.79 -18.81 24.28 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.62 ' O ' ' N ' ' A' ' 65' ' ' GLY . 42.3 t0 -91.34 46.94 1.34 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 103.076 -2.935 . . . . 0.0 103.076 173.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' LEU . 52.3 tp10 -39.16 -20.22 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 110.821 -2.899 . . . . 0.0 110.556 -177.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' ASP . 17.8 t-20 -85.44 -0.24 54.3 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.341 -1.474 . . . . 0.0 108.102 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 60.03 39.87 96.28 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -102.12 -11.05 19.12 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.002 -1.293 . . . . 0.0 110.952 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 87.07 -9.61 71.85 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 120.59 -1.319 . . . . 0.0 110.393 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 44.4 mt-10 -125.51 144.76 50.4 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 60.9 t -104.71 132.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 72' ' ' GLN . 94.6 m-20 -87.59 126.52 34.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.163 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.509 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 45.2 p90 -26.46 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.9 tt0 -60.2 -40.97 91.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.611 -1.306 . . . . 0.0 109.539 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.1 mt-10 -69.15 -40.01 78.46 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.22 -0.925 . . . . 0.0 109.951 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -62.05 -39.94 94.06 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -71.3 -34.15 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.091 -1.005 . . . . 0.0 110.726 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.75 -58.66 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.114 -0.991 . . . . 0.0 111.235 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.468 ' O ' HD22 ' A' ' 81' ' ' LEU . 6.2 tt -70.1 -42.41 72.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.826 -1.171 . . . . 0.0 113.561 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' HD23 ' A' ' 81' ' ' LEU . 53.1 t -61.14 -40.05 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.658 -1.276 . . . . 0.0 110.45 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.56 -28.12 37.32 Favored 'General case' 0 C--N 1.286 -2.167 0 O-C-N 121.219 -0.925 . . . . 0.0 112.412 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.81 -56.05 10.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 119.806 -1.809 . . . . 0.0 110.02 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 82' ' ' THR . 1.3 pt? -62.23 -39.1 91.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.026 -1.046 . . . . 0.0 111.051 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.592 ' H ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -61.92 -49.78 74.78 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.385 -0.822 . . . . 0.0 112.102 -177.488 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' N ' ' CG2' ' A' ' 82' ' ' THR . 19.4 m -74.05 -36.63 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.095 -1.628 . . . . 0.0 109.742 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.5 -32.17 72.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.789 -0.57 . . . . 0.0 110.744 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.0 m -69.93 -40.25 75.64 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.239 -0.913 . . . . 0.0 109.001 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.0 -39.95 91.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.496 -0.753 . . . . 0.0 109.994 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.7 m120 . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.794 . . . . 0.0 110.873 -178.461 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m . . . . . 0 N--CA 1.496 1.84 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.4 -53.93 50.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.197 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 40' ' ' GLU . 93.1 mt -59.83 -39.72 86.03 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.215 -0.928 . . . . 0.0 110.03 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -53.48 -41.07 65.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.708 -1.245 . . . . 0.0 107.997 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.779 HG22 HG21 ' A' ' 10' ' ' THR . 0.4 OUTLIER -72.03 -28.88 63.66 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.43 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.85 -51.69 68.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.065 -1.022 . . . . 0.0 109.758 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.79 -40.14 94.17 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.462 -0.774 . . . . 0.0 110.82 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.73 -39.43 94.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.856 . . . . 0.0 110.051 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.789 HG21 HG22 ' A' ' 6' ' ' THR . 18.0 p -69.97 -45.5 67.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.771 -0.581 . . . . 0.0 110.989 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.04 -40.6 89.96 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.663 -0.648 . . . . 0.0 112.131 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -82.82 -34.67 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 112.085 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.41 -40.1 89.78 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.462 -1.399 . . . . 0.0 109.044 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 4' ' ' LEU . 34.0 m -75.7 -34.5 28.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.839 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.402 ' CD2' ' CD2' ' B' ' 16' ' ' HIS . 13.8 t80 -60.03 -54.93 40.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.945 -1.097 . . . . 0.0 111.079 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . 0.402 ' CD2' ' CD2' ' B' ' 15' ' ' PHE . 32.6 m170 -73.04 -23.88 60.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.558 -0.714 . . . . 0.0 112.31 -177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.73 -60.0 2.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.424 -1.423 . . . . 0.0 111.595 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -76.73 -38.33 54.43 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.432 -1.417 . . . . 0.0 112.244 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.4 p -62.37 -21.51 65.39 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.983 -1.073 . . . . 0.0 112.564 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.36 19.62 42.19 Favored Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? . . . . . 0 N--CA 1.489 1.502 0 O-C-N 120.819 -1.401 . . . . 0.0 109.228 179.736 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 . . . . . 0 N--CA 1.508 2.435 0 CA-C-O 122.143 0.973 . . . . 0.0 110.296 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -142.55 143.27 32.41 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' B' ' 28' ' ' LEU . 8.8 tp -91.83 154.23 19.04 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.915 -1.116 . . . . 0.0 108.19 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 48.3 t -129.49 163.7 25.34 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.315 -0.866 . . . . 0.0 109.68 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -51.67 -47.59 63.77 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.73 -34.81 64.94 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.942 -1.099 . . . . 0.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' B' ' 29' ' ' SER . 92.7 mt-10 -70.4 -31.7 69.02 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 110.372 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.68 ' O ' HD22 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -82.64 -32.81 28.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.405 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.46 -43.58 96.77 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 0.0 110.778 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.54 -27.88 31.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 111.247 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.73 -40.06 76.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.39 -0.819 . . . . 0.0 112.24 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.718 HD23 ' H ' ' B' ' 38' ' ' GLN . 1.1 pt? -84.05 -40.61 18.14 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.24 -0.913 . . . . 0.0 111.995 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.718 ' H ' HD23 ' B' ' 37' ' ' LEU . 1.8 pp0? -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 110.108 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.55 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.4 m -66.29 -42.87 87.76 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.151 -177.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.526 ' HB2' HD12 ' A' ' 4' ' ' LEU . 7.1 mt-10 -100.39 -19.75 16.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -122.07 74.0 1.13 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.151 -0.968 . . . . 0.0 108.927 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' B' ' 43' ' ' SER . 74.7 p -85.82 140.93 30.01 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.0 OUTLIER 73.89 -3.63 2.46 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.503 -0.748 . . . . 0.0 110.93 179.093 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -109.21 -61.52 1.61 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.434 HD21 HD21 ' B' ' 81' ' ' LEU . 1.9 mm? -102.89 137.58 40.91 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 15.8 p-10 -119.55 150.87 39.55 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.056 -1.028 . . . . 0.0 108.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.635 HG11 HD21 ' B' ' 37' ' ' LEU . 14.3 m -154.72 -38.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.519 ' N ' HG23 ' B' ' 47' ' ' VAL . 23.6 mt-30 -70.34 -52.75 20.39 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.214 -178.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' B' ' 50' ' ' ASP . 12.5 ptpt -68.63 -41.11 79.92 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.238 -0.914 . . . . 0.0 110.725 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' B' ' 49' ' ' LYS . 57.1 t0 -100.47 95.82 6.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.857 . . . . 0.0 110.083 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.61 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.933 . . . . 0.0 108.823 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.13 -36.72 78.12 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.289 -0.882 . . . . 0.0 108.633 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.424 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -66.33 -36.09 82.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.649 -0.657 . . . . 0.0 111.396 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.415 HG22 ' HB ' ' B' ' 47' ' ' VAL . 48.6 t -71.22 -55.27 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.696 -1.252 . . . . 0.0 111.696 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.18 -40.23 82.31 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.077 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.492 ' HZ2' ' CE ' ' D' ' 7' ' ' LYS . 0.7 OUTLIER -69.17 -40.03 78.37 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.03 -1.044 . . . . 0.0 111.484 -178.247 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -76.8 -54.69 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.195 -0.941 . . . . 0.0 110.548 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.486 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.72 -45.68 92.92 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.732 -0.605 . . . . 0.0 112.468 -177.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' B' ' 59' ' ' LYS . 8.9 mtmp? -65.67 -38.38 89.13 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.432 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -87.48 -16.19 35.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.086 -1.009 . . . . 0.0 109.14 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' B' ' 63' ' ' GLU . 43.8 tp -91.13 -18.71 24.07 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.598 ' O ' ' N ' ' B' ' 65' ' ' GLY . 43.8 t0 -91.23 46.71 1.33 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 173.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' B' ' 61' ' ' LEU . 52.2 tp10 -39.16 -19.9 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 110.901 -2.863 . . . . 0.0 110.524 -177.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 62' ' ' ASP . 18.8 t-20 -85.88 -0.03 54.33 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.405 -1.434 . . . . 0.0 108.229 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.38 37.76 93.65 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -100.3 -10.95 20.74 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.005 -1.291 . . . . 0.0 111.074 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 87.14 -9.94 70.67 Favored Glycine 0 N--CA 1.499 2.883 0 O-C-N 120.442 -1.411 . . . . 0.0 110.426 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.537 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 44.4 mt-10 -125.71 144.99 50.37 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.47 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 62.0 t -104.21 132.69 50.17 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 O-C-N 121.575 -0.703 . . . . 0.0 109.813 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 72' ' ' GLN . 94.6 m-20 -87.47 126.67 35.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.142 -0.974 . . . . 0.0 109.049 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 46.3 p90 -26.81 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.7 tt0 -60.03 -41.25 91.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.597 -1.314 . . . . 0.0 109.459 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 70' ' ' ASP . 96.3 mt-10 -69.01 -39.9 79.03 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.179 -0.951 . . . . 0.0 109.806 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.41 -40.18 95.68 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p -70.99 -33.45 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.15 -0.969 . . . . 0.0 110.882 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.48 -58.62 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.962 -1.086 . . . . 0.0 111.316 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.465 ' O ' HD22 ' B' ' 81' ' ' LEU . 6.2 tt -69.91 -43.07 72.46 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.94 -1.1 . . . . 0.0 113.238 -176.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.423 ' O ' HD23 ' B' ' 81' ' ' LEU . 54.6 t -60.83 -39.73 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.601 -1.312 . . . . 0.0 110.28 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.6 36.99 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 121.178 -0.952 . . . . 0.0 112.508 -178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.69 -59.8 3.05 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 119.77 -1.831 . . . . 0.0 108.855 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.551 HD23 ' H ' ' B' ' 82' ' ' THR . 1.4 pt? -58.59 -39.44 80.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.33 -0.856 . . . . 0.0 111.055 -177.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.551 ' H ' HD23 ' B' ' 81' ' ' LEU . 0.6 OUTLIER -61.7 -50.01 74.16 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.124 -177.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 82' ' ' THR . 18.4 m -73.91 -36.49 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.251 -1.531 . . . . 0.0 109.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.402 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -61.55 -32.51 72.58 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.803 -0.561 . . . . 0.0 110.721 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 99.6 m -69.96 -40.19 75.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 108.922 -179.692 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.79 -40.0 90.97 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.478 -0.764 . . . . 0.0 110.163 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 m120 . . . . . 0 N--CA 1.491 1.606 0 O-C-N 121.387 -0.821 . . . . 0.0 111.035 -178.857 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 . . . . . 0 N--CA 1.493 1.682 0 CA-C-O 120.961 0.41 . . . . 0.0 110.682 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -59.97 -54.65 43.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.827 -1.171 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.53 -50.01 75.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 110.037 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 3.7 mm? -60.04 -39.62 86.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t . . . . . 0 N--CA 1.494 1.737 0 O-C-N 121.046 -1.033 . . . . 0.0 110.475 -179.693 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 . . . . . 0 N--CA 1.493 1.715 0 CA-C-O 120.952 0.406 . . . . 0.0 110.608 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . 0.401 ' HZ1' ' HG3' ' B' ' 56' ' ' LYS . 47.1 tttt -60.06 -54.77 42.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.826 -1.171 . . . . 0.0 110.509 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.32 -50.04 75.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.627 -1.296 . . . . 0.0 110.105 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . 0.44 ' N ' HD22 ' D' ' 9' ' ' LEU . 3.7 mm? -59.96 -39.41 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.171 -0.956 . . . . 0.0 109.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t . . . . . 0 N--CA 1.493 1.714 0 O-C-N 121.134 -0.979 . . . . 0.0 110.44 -179.692 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m . . . . . 0 N--CA 1.498 1.95 0 N-CA-C 109.606 -0.516 . . . . 0.0 109.606 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.506 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.8 mt-10 -60.32 -57.93 10.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.954 -1.091 . . . . 0.0 110.834 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.522 HD21 HG11 ' B' ' 14' ' ' VAL . 95.1 mt -60.0 -34.51 73.43 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.497 -1.377 . . . . 0.0 109.604 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -57.33 -41.03 79.22 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.08 -1.012 . . . . 0.0 108.492 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 30.2 p -71.58 -31.83 67.39 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.294 -0.878 . . . . 0.0 109.304 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.54 -57.13 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.671 -0.643 . . . . 0.0 110.942 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptm -59.98 -33.08 71.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.611 -1.306 . . . . 0.0 110.192 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.47 -40.04 92.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.2 -0.937 . . . . 0.0 110.246 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 p -68.59 -45.58 71.63 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.687 -0.633 . . . . 0.0 110.647 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 ' CD2' ' B' ' 4' ' ' LEU . 84.8 mt -61.12 -40.12 92.59 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 111.751 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.07 -39.56 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.94 -1.1 . . . . 0.0 112.625 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 3' ' ' GLU . 22.6 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.075 -1.64 . . . . 0.0 109.878 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.506 HG11 HD21 ' B' ' 4' ' ' LEU . 7.9 p -77.71 -34.35 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.892 -0.505 . . . . 0.0 110.542 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 46.8 t80 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.173 -0.954 . . . . 0.0 110.973 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -74.12 -21.69 59.77 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.79 -0.569 . . . . 0.0 110.789 -178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -60.55 2.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.126 . . . . 0.0 110.45 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -69.93 -40.03 75.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.447 -1.408 . . . . 0.0 110.705 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 p -68.97 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 111.263 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.79 11.58 66.24 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.146 -0.971 . . . . 0.0 110.923 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt . . . . . 0 N--CA 1.492 1.672 0 O-C-N 120.709 -1.465 . . . . 0.0 109.028 179.203 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.4 t80 . . . . . 0 N--CA 1.493 1.707 0 N-CA-C 112.532 0.567 . . . . 0.0 112.532 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -138.69 137.85 37.2 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 tp -94.13 149.77 20.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.501 -1.374 . . . . 0.0 108.85 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 23.1 t -125.8 162.98 23.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.343 -0.848 . . . . 0.0 109.404 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -53.34 -47.97 68.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.157 -0.965 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 19.4 pttp -70.93 -29.0 64.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.97 -1.081 . . . . 0.0 110.005 -178.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HB2' ' H ' ' A' ' 29' ' ' SER . 91.3 mt-10 -79.44 -35.15 40.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.01 -49.99 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.689 -0.632 . . . . 0.0 111.75 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -67.83 -35.18 78.13 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.763 -1.211 . . . . 0.0 111.581 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.26 -38.19 90.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.73 -1.231 . . . . 0.0 108.292 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 60.5 tp -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.445 HD21 ' CE2' ' A' ' 74' ' ' PHE . 86.7 mt -85.87 -33.69 21.2 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.477 -1.389 . . . . 0.0 113.566 -177.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.26 -20.86 63.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.249 -1.532 . . . . 0.0 110.226 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -74.89 -64.52 1.03 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.837 -0.54 . . . . 0.0 111.749 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 33.2 mp0 -89.95 -50.0 6.28 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.449 -1.407 . . . . 0.0 112.203 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.48 69.11 4.93 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.655 -1.278 . . . . 0.0 108.96 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -80.01 -22.08 42.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.784 -0.572 . . . . 0.0 111.416 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.2 p -110.24 6.34 22.49 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.116 -0.99 . . . . 0.0 111.56 -178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.22 -82.07 0.64 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.032 -1.043 . . . . 0.0 108.522 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.587 ' N ' HD22 ' A' ' 45' ' ' LEU . 2.8 mm? -70.02 139.87 52.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 47' ' ' VAL . 92.4 m-20 -128.47 156.55 43.06 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 122.21 1.005 . . . . 0.0 109.505 -179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.7 m -159.25 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.402 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.6 pt20 -82.12 -36.45 27.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.579 -0.701 . . . . 0.0 111.906 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -61.33 -39.81 91.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.743 -1.223 . . . . 0.0 109.804 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -124.67 113.62 18.25 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 121.604 0.716 . . . . 0.0 110.623 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.96 -25.87 63.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.95 -39.91 91.32 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.93 95.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.515 -0.74 . . . . 0.0 111.029 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 21.6 t -69.04 -54.71 18.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 112.697 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.79 -40.02 91.52 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 120.522 -1.361 . . . . 0.0 110.928 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -69.61 -39.99 76.88 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.364 -0.835 . . . . 0.0 111.309 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -82.2 -55.81 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.736 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.2 -42.49 95.19 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.753 -0.592 . . . . 0.0 111.7 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.9 -36.84 75.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.963 -1.086 . . . . 0.0 109.558 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -87.83 -18.07 30.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.078 -1.013 . . . . 0.0 109.419 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 57' ' ' ILE . 69.7 tp -83.33 -17.29 42.93 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.3 t0 -94.18 44.87 1.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 103.128 -2.916 . . . . 0.0 103.128 174.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.7 tt0 -37.9 -18.18 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 111.202 -2.726 . . . . 0.0 111.06 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 82.7 m-20 -86.71 0.06 55.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.534 -1.354 . . . . 0.0 108.088 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.98 36.45 90.31 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.741 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -99.4 -13.17 19.69 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.832 -1.393 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 88.64 -10.16 73.15 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.663 -1.273 . . . . 0.0 110.309 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.565 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 mt-10 -121.16 139.75 52.93 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -96.19 138.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 121.526 0.679 . . . . 0.0 109.178 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.556 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 41.8 t0 -95.04 117.82 30.81 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.2 p90 -24.65 -39.14 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 20.3 tm0? -59.99 -42.68 94.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.625 -1.297 . . . . 0.0 108.845 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 70' ' ' ASP . 99.4 mt-10 -64.14 -39.99 95.2 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.983 0.897 . . . . 0.0 109.223 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.445 ' CE2' HD21 ' A' ' 37' ' ' LEU . 25.2 t80 -60.08 -39.96 87.91 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.883 -0.511 . . . . 0.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -70.0 -33.24 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.726 -1.234 . . . . 0.0 111.458 -177.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.34 -60.33 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.682 -1.261 . . . . 0.0 111.817 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.09 -42.59 72.52 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.943 -1.098 . . . . 0.0 112.695 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.15 -41.24 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.9 -1.125 . . . . 0.0 111.424 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -74.46 -24.26 59.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.072 -1.017 . . . . 0.0 109.469 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.78 -52.16 47.37 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.54 -33.22 75.12 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.552 0.692 . . . . 0.0 110.042 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -53.93 52.03 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.503 -0.748 . . . . 0.0 111.417 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -80.18 -29.97 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.851 -1.155 . . . . 0.0 110.994 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.2 90.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.353 -0.842 . . . . 0.0 110.241 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.8 m -69.59 -40.05 76.92 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.29 -0.881 . . . . 0.0 109.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -60.01 -41.61 92.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.353 -0.842 . . . . 0.0 109.712 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.7 t30 . . . . . 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.945 . . . . 0.0 109.98 179.88 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m . . . . . 0 N--CA 1.496 1.862 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.8 mt-10 -60.38 -57.92 10.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.936 -1.103 . . . . 0.0 110.777 -177.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.506 HD21 HG11 ' A' ' 14' ' ' VAL . 96.1 mt -59.92 -35.01 73.98 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.518 -1.364 . . . . 0.0 109.623 -178.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.9 -41.15 77.57 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.05 -1.031 . . . . 0.0 108.518 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 30.7 p -71.56 -31.07 66.58 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.282 -0.886 . . . . 0.0 109.351 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.17 -56.66 18.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.695 -0.628 . . . . 0.0 110.94 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.7 ptm -60.06 -33.1 71.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.9 -1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.68 -39.82 91.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.237 -0.915 . . . . 0.0 110.144 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.403 ' O ' HG12 ' B' ' 14' ' ' VAL . 7.8 p -68.84 -45.74 70.34 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.437 0.637 . . . . 0.0 110.603 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.438 HD23 ' CD2' ' A' ' 4' ' ' LEU . 84.2 mt -60.65 -40.09 90.76 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.497 -0.752 . . . . 0.0 111.894 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -82.22 -40.01 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.785 -1.197 . . . . 0.0 112.538 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' OE2' ' A' ' 3' ' ' GLU . 22.9 t-20 -60.06 -40.96 91.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.221 -1.549 . . . . 0.0 109.769 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 4' ' ' LEU . 8.2 p -77.89 -34.24 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.912 -0.493 . . . . 0.0 110.585 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 47.4 t80 -59.97 -50.12 75.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.025 -1.047 . . . . 0.0 110.903 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -74.1 -21.64 59.81 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.894 -0.504 . . . . 0.0 110.721 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.16 -60.64 2.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.848 -1.157 . . . . 0.0 110.522 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -69.81 -40.07 76.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.375 -1.453 . . . . 0.0 110.637 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -68.96 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.35 -0.844 . . . . 0.0 111.328 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.05 11.81 65.72 Favored Glycine 0 N--CA 1.497 2.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.829 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt . . . . . 0 N--CA 1.492 1.665 0 O-C-N 120.75 -1.441 . . . . 0.0 109.024 178.907 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 . . . . . 0 N--CA 1.493 1.723 0 N-CA-C 112.637 0.606 . . . . 0.0 112.637 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -138.54 137.91 37.5 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 28' ' ' LEU . 11.9 tp -94.12 149.99 20.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.556 -1.34 . . . . 0.0 108.862 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.3 t -126.07 162.35 25.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.384 -0.822 . . . . 0.0 109.393 -178.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -47.68 68.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.04 -1.037 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 19.6 pttp -71.23 -28.77 64.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.088 -178.82 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.486 ' HB2' ' H ' ' B' ' 29' ' ' SER . 90.7 mt-10 -79.31 -35.41 41.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.95 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.861 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.64 -35.13 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.721 -1.237 . . . . 0.0 111.548 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.39 -38.32 90.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.702 -1.249 . . . . 0.0 108.312 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 63.2 tp -60.03 -39.97 87.75 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' B' ' 74' ' ' PHE . 85.1 mt -85.96 -33.2 21.19 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.672 -1.267 . . . . 0.0 113.613 -177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.79 -20.66 62.57 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.276 -1.515 . . . . 0.0 110.164 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 90.5 m -74.9 -64.53 1.03 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.839 -0.538 . . . . 0.0 111.629 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 33.4 mp0 -89.93 -49.89 6.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.551 -1.343 . . . . 0.0 112.328 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 69.27 4.7 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.61 -1.306 . . . . 0.0 108.924 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -80.07 -22.16 42.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.906 -0.496 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -110.23 6.51 22.66 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.124 -0.985 . . . . 0.0 111.55 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -124.49 -81.83 0.64 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.988 -1.07 . . . . 0.0 108.448 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.571 HD22 ' N ' ' B' ' 45' ' ' LEU . 2.9 mm? -70.17 140.0 52.47 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.484 ' O ' HG13 ' B' ' 47' ' ' VAL . 92.9 m-20 -128.79 156.96 42.75 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 122.221 1.01 . . . . 0.0 109.476 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.484 HG13 ' O ' ' B' ' 46' ' ' ASP . 16.1 m -159.88 -34.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.405 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.4 pt20 -81.99 -36.54 27.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.602 -0.686 . . . . 0.0 111.939 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -61.35 -39.7 91.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.68 -1.263 . . . . 0.0 109.856 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -124.65 113.43 18.01 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.636 0.731 . . . . 0.0 110.642 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -25.35 63.51 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -61.36 -39.64 91.38 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.39 90.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.592 -0.693 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 21.3 t -70.11 -54.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 112.727 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.46 -40.09 92.78 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 120.581 -1.325 . . . . 0.0 110.846 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' HZ1' ' D' ' 7' ' ' LYS . 65.8 mmtt -69.89 -39.86 75.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.312 -0.867 . . . . 0.0 111.363 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.7 mt -82.31 -55.74 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 110.762 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.01 -42.59 94.63 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.703 -0.623 . . . . 0.0 111.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -70.02 -36.94 75.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.963 -1.085 . . . . 0.0 109.412 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -87.64 -18.1 30.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.177 -0.952 . . . . 0.0 109.424 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' B' ' 57' ' ' ILE . 67.2 tp -83.37 -17.41 42.43 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.567 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 45.5 t0 -93.94 44.91 1.13 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 103.292 -2.855 . . . . 0.0 103.292 173.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.1 tt0 -37.99 -17.99 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 111.191 -2.731 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 82.7 m-20 -86.74 -0.09 55.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.481 -1.387 . . . . 0.0 107.994 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.08 33.76 85.36 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.849 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -97.54 -12.92 22.01 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.751 -1.441 . . . . 0.0 110.671 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.552 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 88.26 -10.21 72.09 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 120.703 -1.248 . . . . 0.0 110.411 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.567 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.9 mt-10 -120.79 141.12 50.81 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -96.86 138.63 21.41 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 121.468 -0.77 . . . . 0.0 109.072 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 41.9 t0 -94.86 118.05 31.14 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.481 -0.762 . . . . 0.0 109.16 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 55.0 p90 -24.9 -38.9 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.558 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 20.4 tm0? -59.98 -42.68 94.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.666 -1.271 . . . . 0.0 108.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.5 mt-10 -64.3 -40.03 95.12 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.941 0.877 . . . . 0.0 109.238 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.441 ' CE2' HD21 ' B' ' 37' ' ' LEU . 25.0 t80 -60.05 -39.89 87.5 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.02 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 0.8 OUTLIER -69.86 -33.3 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.708 -1.245 . . . . 0.0 111.469 -177.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.27 -60.49 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.683 -1.261 . . . . 0.0 111.847 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.06 -42.66 72.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 112.713 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.68 -41.55 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.932 -1.105 . . . . 0.0 111.47 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -74.53 -24.2 58.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.212 -0.93 . . . . 0.0 109.641 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.89 14.51 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.11 -33.76 72.56 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.378 0.609 . . . . 0.0 110.108 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -59.94 -54.01 51.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.342 -0.849 . . . . 0.0 111.416 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.11 -29.94 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.855 -1.153 . . . . 0.0 111.007 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.22 90.25 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.57 -39.89 77.08 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.275 -0.891 . . . . 0.0 109.149 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.07 -41.54 92.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.0 109.688 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 . . . . . 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.843 -179.945 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.49 1.559 0 CA-C-O 121.056 0.455 . . . . 0.0 110.558 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.96 -50.04 75.3 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 111.179 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.98 -49.24 78.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.87 -1.144 . . . . 0.0 110.166 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' C' ' 9' ' ' LEU . 3.5 mm? -64.72 -40.83 96.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.914 -1.116 . . . . 0.0 109.057 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m . . . . . 0 N--CA 1.493 1.679 0 O-C-N 121.074 -1.016 . . . . 0.0 109.589 179.487 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 . . . . . 0 N--CA 1.49 1.553 0 CA-C-O 121.107 0.48 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.176 -0.952 . . . . 0.0 111.089 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 110.062 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 3.8 mm? -64.7 -40.89 96.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.014 -1.054 . . . . 0.0 109.111 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m . . . . . 0 N--CA 1.493 1.676 0 O-C-N 121.027 -1.045 . . . . 0.0 109.587 179.461 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t . . . . . 0 N--CA 1.497 1.92 0 N-CA-C 108.691 -0.855 . . . . 0.0 108.691 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' OG1' ' A' ' 6' ' ' THR . 57.4 mm-40 -60.42 -56.81 16.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.404 -0.81 . . . . 0.0 109.88 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.649 HD13 HD23 ' B' ' 11' ' ' LEU . 11.5 tp -57.42 -38.05 73.75 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.6 -1.312 . . . . 0.0 109.623 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.85 -44.09 73.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.242 -0.911 . . . . 0.0 109.183 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 29.3 p -68.79 -33.05 73.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.44 -0.787 . . . . 0.0 110.112 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.603 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -58.32 -42.64 87.22 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 108.962 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 82' ' ' THR . 1.5 mtp -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.917 -1.114 . . . . 0.0 110.63 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -63.76 -39.65 94.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.151 -0.968 . . . . 0.0 109.936 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.607 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 16.7 p -68.34 -47.02 68.6 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.555 -0.716 . . . . 0.0 112.059 -177.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.655 HD23 HD13 ' B' ' 4' ' ' LEU . 31.2 mt -60.0 -43.81 94.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.289 -0.882 . . . . 0.0 111.74 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.08 -35.5 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.956 -1.09 . . . . 0.0 112.252 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.04 -40.19 88.55 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 120.162 -1.586 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.17 -33.84 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.576 -0.703 . . . . 0.0 110.871 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.88 -50.04 75.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.169 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.32 -24.42 46.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.687 -0.633 . . . . 0.0 111.387 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.97 2.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.64 -1.288 . . . . 0.0 110.597 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.92 -39.89 87.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.828 -1.17 . . . . 0.0 111.0 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 21.9 t -61.2 -17.04 51.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 111.399 -178.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.61 17.22 10.29 Favored Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt . . . . . 0 N--CA 1.488 1.462 0 O-C-N 120.855 -1.379 . . . . 0.0 109.186 -179.255 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.6 p90 . . . . . 0 N--CA 1.496 1.861 0 CA-C-O 121.993 0.901 . . . . 0.0 110.203 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB2' ' HZ2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -139.19 141.78 37.94 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.678 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.01 150.52 20.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.969 -1.082 . . . . 0.0 110.52 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.527 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.1 p -125.87 164.08 21.53 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.12 -39.96 30.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.286 -1.366 . . . . 0.0 110.294 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 17.2 tptm -71.73 -32.0 67.3 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.936 -1.102 . . . . 0.0 112.243 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 29' ' ' SER . 27.0 mt-10 -73.04 -38.12 66.63 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.734 -1.229 . . . . 0.0 108.495 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.704 ' C ' HD23 ' A' ' 33' ' ' LEU . 2.5 tt -64.75 -44.1 91.19 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.052 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.643 ' N ' HD23 ' A' ' 33' ' ' LEU . 79.0 tttt -66.33 -40.34 89.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.044 -1.035 . . . . 0.0 112.104 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 31' ' ' LYS . 12.4 p-10 -77.14 -26.72 53.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.704 -1.247 . . . . 0.0 109.507 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.47 -40.09 85.3 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.539 -0.725 . . . . 0.0 112.547 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.94 -34.24 20.95 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.632 -1.293 . . . . 0.0 113.083 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.476 ' CD ' ' NE2' ' A' ' 48' ' ' GLN . 14.6 pt20 -69.3 -21.0 63.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.613 -1.305 . . . . 0.0 109.747 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -80.08 -70.02 0.55 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.19 -53.97 7.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 112.928 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.96 57.54 2.8 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.637 -1.29 . . . . 0.0 108.423 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 m -69.99 -25.26 63.52 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.263 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 t -105.52 2.11 28.15 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.909 -1.119 . . . . 0.0 111.151 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -119.88 -80.01 0.61 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.268 -0.895 . . . . 0.0 109.101 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.5 mm? -77.23 130.46 37.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p-10 -112.32 155.79 23.52 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 48' ' ' GLN . 15.9 m -155.82 -37.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.506 ' N ' HG23 ' A' ' 47' ' ' VAL . 87.5 mt-30 -69.93 -53.35 18.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.773 -0.579 . . . . 0.0 112.169 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -69.88 -35.46 74.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 111.485 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 46' ' ' ASP . 89.8 m-20 -100.13 99.49 10.21 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.904 -1.122 . . . . 0.0 110.258 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.14 -37.47 75.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 93.6 m-20 -59.97 -33.23 71.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.378 -0.826 . . . . 0.0 108.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.57 77.12 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.688 -0.633 . . . . 0.0 110.993 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 53.3 t -69.35 -55.18 16.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.054 -1.029 . . . . 0.0 111.422 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 25.4 p-10 -65.43 -40.49 93.37 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.565 -1.334 . . . . 0.0 111.452 -177.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 3.7 ttpm? -70.03 -40.32 75.26 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.995 -1.066 . . . . 0.0 111.111 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -78.93 -55.49 9.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.47 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.08 -46.0 91.01 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.827 -0.546 . . . . 0.0 111.589 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -69.57 -38.26 77.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -84.92 -17.23 38.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.062 -1.024 . . . . 0.0 109.05 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 57' ' ' ILE . 7.2 tt -86.68 -14.43 42.6 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.648 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 8.3 t70 -94.5 46.73 1.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 173.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' A' ' 61' ' ' LEU . 46.9 tp10 -44.25 -21.42 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 110.447 -3.07 . . . . 0.0 110.845 -177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -85.67 -0.07 54.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.55 -1.344 . . . . 0.0 107.991 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 65.68 31.51 80.18 Favored Glycine 0 N--CA 1.493 2.465 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.408 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 4.4 p-10 -98.38 -11.5 22.38 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.719 -1.46 . . . . 0.0 109.96 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.648 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.06 0.16 88.37 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 46.7 mt-10 -124.74 141.45 52.1 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.8 t -97.04 134.38 35.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-O 122.052 0.93 . . . . 0.0 111.018 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.476 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 11.0 t70 -86.98 158.35 19.28 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.5 p90 -60.0 -38.08 81.57 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.1 -1.0 . . . . 0.0 110.305 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.552 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -65.18 -39.66 93.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.857 -1.152 . . . . 0.0 110.646 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.93 -39.94 79.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.39 -1.444 . . . . 0.0 110.154 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.21 -40.0 86.39 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.47 -0.769 . . . . 0.0 112.458 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.73 -31.91 47.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 120.767 -1.208 . . . . 0.0 111.088 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.73 -60.8 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.115 -0.99 . . . . 0.0 112.435 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . 0.419 HD22 HD12 ' A' ' 61' ' ' LEU . 6.4 tp -70.17 -40.01 74.94 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.853 -1.155 . . . . 0.0 112.615 -176.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.408 ' O ' HG22 ' A' ' 82' ' ' THR . 22.9 t -68.52 -39.93 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.886 -1.134 . . . . 0.0 109.991 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.72 -23.72 61.67 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.78 64.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 111.352 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 18.5 mt -91.76 -35.98 13.82 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.579 -1.326 . . . . 0.0 110.812 -178.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -65.12 -44.34 89.04 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.622 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' B' ' 71' ' ' PHE . 16.0 t -75.61 -43.75 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 110.265 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.46 71.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.693 -0.63 . . . . 0.0 110.724 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -73.32 -42.78 61.95 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 111.189 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.22 -40.86 91.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 0.0 111.17 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.229 -179.324 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t . . . . . 0 N--CA 1.498 1.929 0 N-CA-C 108.823 -0.806 . . . . 0.0 108.823 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' B' ' 6' ' ' THR . 57.3 mm-40 -60.33 -56.87 16.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.437 -0.79 . . . . 0.0 109.861 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 11' ' ' LEU . 12.5 tp -57.98 -37.28 73.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.501 -1.374 . . . . 0.0 109.51 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.38 -43.58 75.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.146 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 28.6 p -69.33 -31.94 70.72 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.607 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.745 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 82' ' ' THR . 1.4 mtp -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.143 -0.973 . . . . 0.0 110.441 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 9' ' ' GLU . 0.8 OUTLIER -63.62 -39.63 94.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.087 -1.008 . . . . 0.0 109.942 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 16.8 p -68.22 -47.1 68.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.578 -0.701 . . . . 0.0 112.038 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.649 HD23 HD13 ' A' ' 4' ' ' LEU . 32.1 mt -59.96 -43.72 94.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.295 -0.878 . . . . 0.0 111.836 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mt -79.56 -36.48 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.06 -1.025 . . . . 0.0 112.034 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.87 -40.07 87.41 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.28 -1.513 . . . . 0.0 109.549 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.07 -33.78 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.719 . . . . 0.0 111.037 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.157 -0.965 . . . . 0.0 111.233 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -78.25 -24.17 47.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.587 -0.696 . . . . 0.0 111.445 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.0 -59.95 2.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.651 -1.28 . . . . 0.0 110.597 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -66.73 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.889 -1.132 . . . . 0.0 110.905 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 25.7 t -61.19 -16.99 50.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 111.486 -178.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.54 16.73 10.44 Favored Glycine 0 N--CA 1.501 2.969 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt . . . . . 0 N--CA 1.489 1.504 0 O-C-N 120.821 -1.4 . . . . 0.0 109.235 -179.289 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 p90 . . . . . 0 N--CA 1.495 1.821 0 CA-C-O 122.07 0.938 . . . . 0.0 110.133 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.416 ' C ' HD22 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -139.24 141.87 37.85 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.1 mm? -97.17 150.15 21.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.027 -1.046 . . . . 0.0 110.539 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.516 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 89.9 p -125.27 164.24 20.77 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.06 -40.04 29.92 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.332 -1.347 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.439 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 17.5 tptm -72.29 -31.08 65.41 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.832 -1.167 . . . . 0.0 112.136 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' B' ' 29' ' ' SER . 26.4 mt-10 -73.53 -38.07 65.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.47 -1.394 . . . . 0.0 108.267 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . 0.704 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.5 tt -64.45 -44.52 90.87 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.18 -179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . 0.63 ' N ' HD23 ' B' ' 33' ' ' LEU . 78.8 tttt -65.99 -40.41 91.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 112.214 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 31' ' ' LYS . 12.4 p-10 -77.12 -26.65 53.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.6 -40.11 84.78 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.528 -0.733 . . . . 0.0 112.562 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -85.81 -35.2 20.83 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.525 -1.359 . . . . 0.0 112.971 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.474 ' CD ' ' NE2' ' B' ' 48' ' ' GLN . 14.5 pt20 -68.33 -21.19 64.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.748 -1.22 . . . . 0.0 109.764 -178.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 59.0 m -79.97 -69.76 0.56 Allowed 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.282 0.563 . . . . 0.0 111.896 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.46 -54.0 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 0.0 112.931 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -93.07 57.65 2.78 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.652 -1.28 . . . . 0.0 108.338 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -70.13 -24.98 63.27 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.224 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -105.94 2.43 27.49 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.0 -1.063 . . . . 0.0 111.061 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.03 -79.96 0.61 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.277 -0.889 . . . . 0.0 109.051 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.48 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -77.29 130.61 37.41 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 33.5 p-10 -112.47 155.53 24.1 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.505 HG23 ' N ' ' B' ' 48' ' ' GLN . 15.9 m -155.81 -37.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.505 ' N ' HG23 ' B' ' 47' ' ' VAL . 88.8 mt-30 -70.07 -53.79 15.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.849 -0.532 . . . . 0.0 112.036 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -69.17 -35.9 76.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.799 -1.188 . . . . 0.0 111.514 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 90.0 m-20 -100.06 99.52 10.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.967 -1.083 . . . . 0.0 110.101 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -37.18 75.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.419 -0.8 . . . . 0.0 109.057 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 92.9 m-20 -60.09 -33.46 72.13 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.929 0.871 . . . . 0.0 108.885 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . 0.425 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -70.04 -37.05 75.47 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.673 -0.642 . . . . 0.0 111.499 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 56.9 t -71.3 -55.22 14.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 111.384 -178.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 25.2 p-10 -65.22 -40.75 94.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.575 -1.328 . . . . 0.0 111.355 -177.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 3.7 ttpm? -70.05 -40.58 75.01 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.984 -1.072 . . . . 0.0 111.096 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.0 mt -78.53 -55.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.231 -0.918 . . . . 0.0 110.509 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.05 -45.6 92.29 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.797 -0.564 . . . . 0.0 111.691 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.95 -37.97 76.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.852 -1.155 . . . . 0.0 110.04 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 56' ' ' LYS . 0.9 OUTLIER -85.02 -17.48 37.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.077 -1.014 . . . . 0.0 109.05 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' B' ' 57' ' ' ILE . 7.1 tt -86.61 -14.29 43.19 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.655 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 8.6 t70 -94.61 46.71 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 173.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' B' ' 61' ' ' LEU . 46.9 tp10 -44.27 -21.46 0.05 OUTLIER 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 110.485 -3.052 . . . . 0.0 110.861 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.69 -0.13 54.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.543 -1.348 . . . . 0.0 108.02 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.82 31.3 79.31 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.284 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.559 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 4.5 p-10 -97.95 -11.97 22.52 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.711 -1.464 . . . . 0.0 109.889 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.655 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.36 0.05 88.48 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 46.4 mt-10 -124.38 141.99 51.64 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.11 134.74 33.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 122.171 0.986 . . . . 0.0 110.997 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.469 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 11.0 t70 -87.22 158.41 19.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.4 p90 -60.05 -38.37 82.62 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.37 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -64.97 -39.61 93.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.834 -1.166 . . . . 0.0 110.63 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -68.96 -40.02 79.16 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.376 -1.452 . . . . 0.0 110.162 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 29.8 t80 -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.537 -0.727 . . . . 0.0 112.446 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.2 p -70.65 -32.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 120.86 -1.15 . . . . 0.0 111.098 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.39 -60.99 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.987 -1.071 . . . . 0.0 112.488 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . 0.416 HD22 HD12 ' B' ' 61' ' ' LEU . 6.8 tp -70.18 -40.05 74.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.897 -1.127 . . . . 0.0 112.487 -176.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 82' ' ' THR . 23.7 t -68.26 -40.01 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.801 -1.187 . . . . 0.0 110.038 -178.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.26 61.89 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.55 62.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.09 -36.28 11.58 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.673 -1.267 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -65.08 -44.32 89.26 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 118.064 -1.455 . . . . 0.0 109.634 -178.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' A' ' 71' ' ' PHE . 18.2 t -75.65 -43.96 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.944 -1.097 . . . . 0.0 110.283 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.38 71.71 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.655 -0.653 . . . . 0.0 110.792 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.443 -0.786 . . . . 0.0 111.121 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -60.12 -40.86 91.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 0.0 111.26 -178.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 . . . . . 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 110.311 -179.369 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.491 1.585 0 CA-C-O 120.954 0.407 . . . . 0.0 110.451 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -59.82 -49.81 76.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.77 -1.206 . . . . 0.0 110.033 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . 0.605 HD22 HD11 ' A' ' 57' ' ' ILE . 59.7 tp -67.64 -51.19 52.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.739 -1.225 . . . . 0.0 109.998 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 1.0 OUTLIER -61.05 -40.21 92.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.149 -0.969 . . . . 0.0 110.12 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.7 p . . . . . 0 N--CA 1.491 1.602 0 O-C-N 120.912 -1.118 . . . . 0.0 109.879 -179.922 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.489 1.5 0 CA-C-O 120.945 0.403 . . . . 0.0 110.484 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -59.95 -49.35 78.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.779 -1.201 . . . . 0.0 110.101 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . 0.534 HD22 HD11 ' B' ' 57' ' ' ILE . 60.0 tp -67.94 -50.71 54.41 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.755 -1.216 . . . . 0.0 109.894 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 1.4 mm? -61.13 -40.58 94.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 110.016 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 95.8 p . . . . . 0 N--CA 1.49 1.55 0 O-C-N 120.956 -1.09 . . . . 0.0 109.808 -179.778 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p . . . . . 0 N--CA 1.497 1.915 0 N-CA-C 108.755 -0.832 . . . . 0.0 108.755 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 6' ' ' THR . 72.6 mm-40 -69.34 -51.12 40.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.297 -0.877 . . . . 0.0 109.789 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.487 HD13 HD23 ' B' ' 11' ' ' LEU . 11.1 tp -59.26 -39.88 84.23 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.191 -0.943 . . . . 0.0 109.726 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.46 -49.53 64.46 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 122.252 1.025 . . . . 0.0 109.036 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 42.4 p -63.4 -34.25 77.31 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 121.661 -0.649 . . . . 0.0 110.518 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -49.36 -51.44 34.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 110.034 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.619 ' CE ' HD21 ' B' ' 86' ' ' ASN . 28.0 ttt -59.98 -40.15 88.15 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.804 -1.185 . . . . 0.0 109.313 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.33 -40.97 92.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.253 -0.905 . . . . 0.0 112.065 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.47 ' OG1' ' C ' ' B' ' 3' ' ' GLU . 0.0 OUTLIER -72.74 -43.08 63.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.855 -1.153 . . . . 0.0 111.093 -177.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.49 HD23 HD13 ' B' ' 4' ' ' LEU . 88.4 mt -56.52 -41.27 76.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.534 -0.729 . . . . 0.0 109.86 -178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.4 mt -78.94 -27.15 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.454 -0.779 . . . . 0.0 111.649 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.5 -40.18 95.9 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.241 -1.537 . . . . 0.0 109.443 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.46 -33.27 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 120.361 -0.535 . . . . 0.0 111.607 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -54.79 41.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 110.633 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -73.78 -23.12 59.67 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.852 -0.53 . . . . 0.0 111.32 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.17 -61.64 1.83 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.462 -1.398 . . . . 0.0 111.514 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.614 -1.304 . . . . 0.0 112.118 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.631 ' OG ' HD11 ' A' ' 28' ' ' LEU . 57.7 m -57.72 -20.88 37.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 111.578 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.32 20.88 15.71 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 120.748 -1.443 . . . . 0.0 108.406 179.371 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 57.1 m-85 . . . . . 0 N--CA 1.495 1.811 0 CA-C-O 121.909 0.861 . . . . 0.0 111.325 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . 0.426 ' C ' HD22 ' A' ' 28' ' ' LEU . 31.3 tptt -139.38 139.44 37.18 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.631 HD11 ' OG ' ' A' ' 19' ' ' SER . 3.2 mm? -97.79 152.59 19.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.499 -1.375 . . . . 0.0 109.866 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.527 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.7 p -130.9 163.18 28.02 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' SER . 62.6 tttt -47.1 -39.91 14.21 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.938 -1.102 . . . . 0.0 109.706 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -70.06 -38.81 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.425 -0.797 . . . . 0.0 111.84 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 29' ' ' SER . 31.8 mt-10 -70.12 -38.3 75.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.917 -1.114 . . . . 0.0 108.433 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.12 -50.87 71.97 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -69.16 -35.18 76.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.741 -1.224 . . . . 0.0 112.522 -176.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.29 -35.91 71.48 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.31 -1.494 . . . . 0.0 108.621 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.47 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 tp -65.96 -40.09 90.98 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.804 -0.56 . . . . 0.0 112.116 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.527 HD21 ' CE1' ' A' ' 74' ' ' PHE . 94.0 mt -85.02 -39.86 17.54 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.504 -1.373 . . . . 0.0 113.11 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.475 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.3 pp0? -63.9 -38.83 92.53 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.803 -1.185 . . . . 0.0 110.169 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 95.6 m -72.43 -49.66 31.93 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.408 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.47 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 22.4 mp0 -82.21 -52.02 7.37 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.173 -0.954 . . . . 0.0 111.278 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -102.63 77.81 1.64 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 m -86.24 -21.9 27.16 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.0 t -117.31 2.51 12.53 Favored 'General case' 0 N--CA 1.512 2.638 0 O-C-N 120.627 -1.296 . . . . 0.0 112.52 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -120.05 -45.5 2.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.826 -1.171 . . . . 0.0 109.555 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 137.65 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -122.85 157.35 32.69 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.886 -1.134 . . . . 0.0 110.292 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 30.8 m -156.53 -36.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.8 pt20 -88.11 -29.46 20.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.905 -1.122 . . . . 0.0 110.893 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.34 -40.0 92.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.818 -1.176 . . . . 0.0 108.969 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -123.55 113.25 18.47 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.261 0.553 . . . . 0.0 110.371 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.58 77.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.063 -1.023 . . . . 0.0 108.636 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -60.67 -36.74 79.47 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.49 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.918 -1.114 . . . . 0.0 110.396 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 32.9 t -69.82 -57.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.371 -0.831 . . . . 0.0 111.936 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 t0 -60.11 -42.54 94.92 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 120.581 -1.325 . . . . 0.0 111.579 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -70.14 -37.34 75.25 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.038 -1.038 . . . . 0.0 111.592 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.605 HD11 HD22 ' C' ' 8' ' ' LEU . 82.2 mt -81.08 -53.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.809 -1.182 . . . . 0.0 110.748 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.94 -49.19 78.66 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.78 -0.575 . . . . 0.0 111.475 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.28 -39.94 93.23 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.905 -1.122 . . . . 0.0 110.439 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -86.55 -16.9 35.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.822 -1.174 . . . . 0.0 109.54 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' A' ' 63' ' ' GLU . 59.7 tp -83.47 -22.12 32.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.612 ' O ' ' N ' ' A' ' 65' ' ' GLY . 39.0 t0 -87.88 47.54 1.52 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 173.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.568 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.8 tt0 -39.19 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 111.516 -2.583 . . . . 0.0 110.547 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.6 m-20 -86.73 0.76 54.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.737 -1.227 . . . . 0.0 108.189 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.612 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.5 37.35 92.0 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.916 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.483 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.7 p30 -104.15 -8.59 19.32 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.94 -1.33 . . . . 0.0 110.607 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . 0.551 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.59 -10.44 55.87 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 120.668 -1.27 . . . . 0.0 110.618 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 95.5 mt-10 -116.01 145.21 43.16 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.5 t -103.83 130.46 54.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.216 -0.928 . . . . 0.0 110.406 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -80.99 160.12 24.68 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 52.9 p90 -59.97 -38.85 83.71 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.97 -1.081 . . . . 0.0 110.023 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.497 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.0 tt0 -63.55 -40.18 96.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.012 -1.055 . . . . 0.0 111.379 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -68.55 -39.77 80.94 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.581 -1.324 . . . . 0.0 110.462 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.738 ' O ' HG22 ' A' ' 78' ' ' VAL . 37.9 t80 -63.77 -52.89 58.32 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.59 -0.694 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -33.89 54.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.839 -0.538 . . . . 0.0 111.826 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.9 -59.12 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.043 -1.035 . . . . 0.0 112.206 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.61 -39.91 80.63 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.648 -1.282 . . . . 0.0 112.845 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 74' ' ' PHE . 21.4 m -65.02 -39.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.885 -1.135 . . . . 0.0 111.3 -177.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . 0.549 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -76.07 -24.98 55.11 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.417 -0.802 . . . . 0.0 109.86 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.96 -27.81 65.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.856 -1.152 . . . . 0.0 109.896 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.442 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 56.5 mt -88.19 -36.14 16.97 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.043 . . . . 0.0 110.191 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.3 t -66.07 -48.42 71.07 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.858 -1.151 . . . . 0.0 109.804 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.477 ' N ' HG23 ' A' ' 82' ' ' THR . 46.1 t -70.53 -41.59 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.768 -1.207 . . . . 0.0 109.905 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.31 -31.01 71.56 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.381 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.7 m -63.89 -40.12 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.224 -0.922 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . 0.677 HD21 ' CE ' ' B' ' 8' ' ' MET . 82.3 m-20 -70.0 -30.25 67.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.47 -0.769 . . . . 0.0 109.602 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.7 . . . . 0.0 111.027 -178.572 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p . . . . . 0 N--CA 1.497 1.875 0 N-CA-C 108.86 -0.793 . . . . 0.0 108.86 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.47 ' C ' ' OG1' ' A' ' 10' ' ' THR . 72.4 mm-40 -69.25 -51.25 39.44 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.323 -0.861 . . . . 0.0 109.612 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.49 HD13 HD23 ' A' ' 11' ' ' LEU . 12.9 tp -59.57 -39.62 84.67 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.77 -177.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.74 -49.04 66.24 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 122.295 1.045 . . . . 0.0 109.015 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 41.8 p -63.77 -32.61 74.17 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.63 -0.669 . . . . 0.0 110.447 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.04 61.43 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.683 0.754 . . . . 0.0 109.992 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.677 ' CE ' HD21 ' A' ' 86' ' ' ASN . 27.9 ttt -60.09 -40.1 88.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.921 -1.112 . . . . 0.0 108.938 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.06 -41.82 93.2 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.315 -0.866 . . . . 0.0 111.879 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.478 ' OG1' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -72.33 -43.45 64.11 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.889 -1.132 . . . . 0.0 111.171 -177.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.487 HD23 HD13 ' A' ' 4' ' ' LEU . 88.2 mt -56.06 -41.06 74.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.609 -0.682 . . . . 0.0 110.119 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.2 mt -78.38 -29.67 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 0.0 111.233 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.34 -40.02 89.18 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 120.486 -1.384 . . . . 0.0 109.521 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 m -84.98 -33.46 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.692 -0.63 . . . . 0.0 111.361 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -54.57 44.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 110.522 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.9 -22.61 59.64 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -61.8 1.79 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.454 -1.404 . . . . 0.0 111.409 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.98 -39.93 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.62 -1.3 . . . . 0.0 112.074 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.623 ' OG ' HD11 ' B' ' 28' ' ' LEU . 60.1 m -57.82 -20.35 35.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.992 . . . . 0.0 111.582 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.42 20.52 15.83 Favored Glycine 0 N--CA 1.5 2.915 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? . . . . . 0 N--CA 1.49 1.57 0 O-C-N 120.697 -1.472 . . . . 0.0 108.442 179.504 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 57.7 m-85 . . . . . 0 N--CA 1.493 1.696 0 CA-C-O 121.941 0.877 . . . . 0.0 111.316 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 31.6 tptt -139.47 139.77 37.09 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 176.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.623 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.3 mm? -98.24 152.33 19.52 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.542 -1.349 . . . . 0.0 109.864 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.521 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 79.3 p -130.39 163.6 26.55 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -47.69 -40.17 19.39 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 109.713 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -70.04 -38.05 75.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.855 . . . . 0.0 112.008 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.521 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.0 mt-10 -70.21 -38.76 75.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.82 -1.175 . . . . 0.0 108.473 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.99 -51.06 71.29 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -68.82 -35.52 77.09 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.644 -1.285 . . . . 0.0 112.607 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -71.0 -35.54 72.11 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.342 -1.474 . . . . 0.0 108.888 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 56.4 tp -66.34 -40.06 89.61 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.783 -0.573 . . . . 0.0 112.104 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' B' ' 74' ' ' PHE . 95.9 mt -84.8 -40.21 17.47 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.601 -1.312 . . . . 0.0 113.081 -177.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.483 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.3 pp0? -63.72 -38.59 91.66 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 110.238 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.483 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.4 m -72.67 -50.0 27.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.243 -177.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 22.8 mp0 -81.91 -52.01 7.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.129 -0.982 . . . . 0.0 111.3 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.6 77.8 1.65 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.164 -0.96 . . . . 0.0 108.912 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -86.14 -21.73 27.43 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -118.1 3.22 12.08 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.748 -1.22 . . . . 0.0 112.392 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -120.38 -45.17 2.44 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.778 -1.201 . . . . 0.0 109.582 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.14 137.7 47.53 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -123.09 156.76 34.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.746 -1.221 . . . . 0.0 110.224 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.531 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 29.1 m -155.87 -36.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.469 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.5 pt20 -88.39 -29.41 20.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.92 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.62 -39.97 93.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.799 -1.188 . . . . 0.0 108.869 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -123.35 113.32 18.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.252 0.549 . . . . 0.0 110.295 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.05 75.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.077 -1.015 . . . . 0.0 108.63 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -61.09 -36.33 79.38 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.3 79.56 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.914 -1.116 . . . . 0.0 110.75 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 25.8 t -71.75 -57.63 6.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.153 -0.967 . . . . 0.0 111.823 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -60.26 -42.49 95.48 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.663 -1.273 . . . . 0.0 111.438 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -70.27 -37.05 74.79 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.153 -0.967 . . . . 0.0 111.774 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.534 HD11 HD22 ' D' ' 8' ' ' LEU . 81.6 mt -81.16 -53.91 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.675 -1.266 . . . . 0.0 110.704 -177.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.93 -48.8 80.2 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.675 -0.641 . . . . 0.0 111.483 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -65.9 -39.6 90.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.961 -1.087 . . . . 0.0 110.429 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.63 -17.05 34.82 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.822 -1.174 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.567 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.8 tp -83.36 -21.98 32.94 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.571 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 38.8 t0 -88.27 47.88 1.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.567 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.9 tt0 -39.52 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 111.222 -2.717 . . . . 0.0 110.544 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' B' ' 62' ' ' ASP . 87.5 m-20 -86.77 0.74 54.19 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.732 -1.23 . . . . 0.0 108.203 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.87 36.21 89.3 Favored Glycine 0 N--CA 1.496 2.658 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.061 177.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.7 p30 -103.08 -8.48 20.5 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.994 -1.298 . . . . 0.0 110.557 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . 0.555 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.15 -10.05 55.11 Favored Glycine 0 N--CA 1.496 2.675 0 O-C-N 120.672 -1.268 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.571 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 95.0 mt-10 -116.42 144.25 44.54 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -101.9 130.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 O-C-N 121.231 -0.918 . . . . 0.0 110.704 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 94.9 m-20 -81.27 160.11 24.32 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.2 p90 -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 110.06 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.487 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -63.52 -40.21 96.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.026 -1.046 . . . . 0.0 111.473 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -68.41 -40.05 81.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.6 -1.313 . . . . 0.0 110.343 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.714 ' O ' HG22 ' B' ' 78' ' ' VAL . 36.2 t80 -63.83 -52.54 59.67 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.574 -0.704 . . . . 0.0 112.466 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.01 -34.58 56.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.694 -0.629 . . . . 0.0 111.641 -177.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.48 -59.44 3.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 120.968 -1.083 . . . . 0.0 112.238 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.07 -40.09 82.81 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.664 -1.272 . . . . 0.0 112.927 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . 0.714 HG22 ' O ' ' B' ' 74' ' ' PHE . 18.6 m -65.54 -38.24 81.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 120.84 -1.162 . . . . 0.0 111.458 -177.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . 0.526 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -76.69 -25.19 53.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.303 -0.873 . . . . 0.0 109.839 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.78 -1.2 . . . . 0.0 110.669 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.474 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 63.2 mt -94.02 -35.44 12.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.913 -1.117 . . . . 0.0 109.354 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.463 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.2 t -66.46 -48.09 71.02 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.609 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.463 ' N ' HG23 ' B' ' 82' ' ' THR . 46.3 t -71.05 -41.68 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.832 -1.167 . . . . 0.0 109.919 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.26 71.72 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.385 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 57.1 m -63.61 -40.11 96.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.917 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . 0.619 HD21 ' CE ' ' A' ' 8' ' ' MET . 82.3 m-20 -70.01 -30.38 67.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.609 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 . . . . . 0 N--CA 1.491 1.619 0 O-C-N 121.638 -0.664 . . . . 0.0 110.927 -178.45 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.9 m170 . . . . . 0 N--CA 1.489 1.49 0 CA-C-O 120.795 0.331 . . . . 0.0 110.223 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -64.5 -49.03 72.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.85 -1.156 . . . . 0.0 110.196 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 56.3 tp -70.06 -42.78 72.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.365 -0.835 . . . . 0.0 110.957 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.74 -39.99 84.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.997 -1.065 . . . . 0.0 109.13 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t . . . . . 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 0.0 109.326 179.881 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 49.4 m170 . . . . . 0 N--CA 1.489 1.496 0 CA-C-O 120.846 0.355 . . . . 0.0 110.19 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.4 -49.21 72.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.767 -1.208 . . . . 0.0 110.134 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.04 -42.77 72.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.392 -0.818 . . . . 0.0 110.856 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.64 -39.94 84.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.998 -1.063 . . . . 0.0 109.189 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 14.5 t . . . . . 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 179.865 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 N--CA 1.497 1.924 0 N-CA-C 109.45 -0.574 . . . . 0.0 109.45 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 6' ' ' THR . 68.5 mm-40 -63.87 -57.54 9.51 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.05 -1.031 . . . . 0.0 111.109 -178.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.406 ' CD1' HD23 ' B' ' 11' ' ' LEU . 17.6 tp -59.92 -34.22 72.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.19 -0.944 . . . . 0.0 109.606 -178.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.93 -44.47 94.32 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.895 0.855 . . . . 0.0 108.809 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 26.7 p -67.49 -30.41 70.09 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.521 -0.737 . . . . 0.0 109.28 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -55.09 -47.74 74.53 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.556 -0.715 . . . . 0.0 109.503 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . 0.454 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 27.9 ttt -59.96 -39.95 87.37 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.968 -1.082 . . . . 0.0 108.97 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.93 -39.97 93.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.426 -0.796 . . . . 0.0 110.563 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 14.9 p -67.69 -44.86 76.77 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.483 -0.76 . . . . 0.0 111.212 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' B' ' 4' ' ' LEU . 89.8 mt -59.91 -40.06 87.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 110.379 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.79 -30.68 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.341 -0.849 . . . . 0.0 112.636 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -65.21 -39.92 93.45 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.95 -1.719 . . . . 0.0 108.799 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 15' ' ' PHE . 24.2 m -78.05 -38.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.134 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . 0.438 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.3 t80 -60.06 -49.49 77.44 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.167 -0.958 . . . . 0.0 110.658 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -76.46 -24.62 53.87 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.472 -0.768 . . . . 0.0 111.742 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.19 -63.7 1.36 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.399 -1.438 . . . . 0.0 110.896 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.535 -1.353 . . . . 0.0 110.169 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.458 ' OG ' HD21 ' A' ' 28' ' ' LEU . 17.0 m -66.24 -7.81 20.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.492 -0.755 . . . . 0.0 110.901 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.0 15.21 60.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.264 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 178.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 113.926 1.084 . . . . 0.0 113.926 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -141.56 148.05 38.69 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 121.161 1.801 . . . . 0.0 110.169 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.7 mm? -96.09 165.01 12.45 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.931 0.872 . . . . 0.0 110.662 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.479 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 98.8 p -127.4 160.49 31.26 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -49.46 -40.64 37.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.801 -1.187 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 18.4 tptm -70.64 -30.4 67.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.2 -0.938 . . . . 0.0 111.192 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HB2' ' H ' ' A' ' 29' ' ' SER . 94.3 mt-10 -77.19 -35.36 55.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.73 -1.232 . . . . 0.0 108.887 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.99 -43.96 94.13 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.65 -0.656 . . . . 0.0 110.981 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.21 -42.49 93.46 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -0.88 . . . . 0.0 112.453 -177.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 12.2 p-10 -75.36 -27.38 59.13 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 109.612 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.1 -40.09 94.08 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.54 -0.725 . . . . 0.0 112.226 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 mt -86.28 -35.09 20.15 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.646 -1.284 . . . . 0.0 113.218 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.486 ' CB ' HE21 ' A' ' 48' ' ' GLN . 6.8 pt20 -69.19 -36.89 77.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.418 -1.426 . . . . 0.0 110.569 -177.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.9 m -72.43 -49.91 30.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.654 -0.654 . . . . 0.0 112.077 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -86.02 -47.88 9.18 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.01 -1.056 . . . . 0.0 111.001 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -105.38 70.83 0.9 Allowed 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.6 p -80.02 -23.55 41.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.792 -0.568 . . . . 0.0 112.323 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -105.75 4.16 29.64 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.872 -1.142 . . . . 0.0 111.897 -177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -125.57 -66.67 0.93 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.892 -1.13 . . . . 0.0 109.902 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.5 mm? -83.64 134.53 34.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.183 -0.948 . . . . 0.0 108.775 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -115.5 150.05 37.13 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.719 ' H ' ' NZ ' ' A' ' 49' ' ' LYS . 2.8 m -151.52 -36.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . 0.647 ' H ' ' NZ ' ' A' ' 49' ' ' LYS . 64.7 mt-30 -77.87 -51.81 9.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.873 -0.517 . . . . 0.0 111.86 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . 0.719 ' NZ ' ' H ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -67.76 -39.97 84.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.667 -1.271 . . . . 0.0 109.88 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -100.09 94.54 6.3 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.129 -0.982 . . . . 0.0 109.987 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.0 75.39 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.01 -40.08 88.01 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.9 -54.54 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.859 . . . . 0.0 112.043 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 61.4 t0 -60.08 -40.04 88.17 Favored 'General case' 0 C--N 1.288 -2.084 0 O-C-N 120.402 -1.436 . . . . 0.0 110.766 -177.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.44 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 6.0 mptp? -70.23 -36.23 74.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.089 -1.007 . . . . 0.0 111.938 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 1.3 pp -82.37 -53.36 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 119.974 -1.704 . . . . 0.0 109.654 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.45 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.6 tmt? -59.93 -48.24 82.51 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.354 -0.841 . . . . 0.0 112.317 -176.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.74 -40.01 84.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.471 -1.393 . . . . 0.0 110.766 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 25.0 mp0 -89.51 -16.9 29.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.796 -1.19 . . . . 0.0 110.494 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.2 tp -78.73 -18.27 54.52 Favored 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' A' ' 64' ' ' ASN . 11.4 m-20 -91.27 40.32 1.03 Allowed 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 174.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 61' ' ' LEU . 83.0 tt0 -39.11 -19.74 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 112.167 -2.288 . . . . 0.0 110.505 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 62' ' ' ASP . 96.9 m-20 -87.59 -5.35 58.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.669 -1.269 . . . . 0.0 108.669 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 84.24 33.15 21.09 Favored Glycine 0 N--CA 1.482 1.718 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.637 ' C ' ' H ' ' A' ' 68' ' ' GLU . 65.7 m-20 -106.31 115.94 31.08 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.74 9.02 0.46 Allowed Glycine 0 C--N 1.281 -2.495 0 C-N-CA 117.642 -2.218 . . . . 0.0 109.035 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.637 ' H ' ' C ' ' A' ' 66' ' ' ASP . 36.8 mp0 -120.07 139.98 51.71 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.05 130.01 51.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 122.209 1.004 . . . . 0.0 111.339 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -79.92 162.39 25.0 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 47.0 p90 -60.02 -39.35 85.57 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.098 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.465 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 61.1 tt0 -66.42 -40.0 89.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 0.0 110.281 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.39 -40.12 74.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.712 -1.242 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -70.49 -39.68 74.05 Favored 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.252 -0.905 . . . . 0.0 111.797 -178.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 10.5 p -69.83 -33.62 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.254 -0.904 . . . . 0.0 111.004 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.3 t -68.93 -59.43 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.908 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.71 -50.71 48.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.872 -1.143 . . . . 0.0 112.355 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -60.1 -39.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.844 -1.16 . . . . 0.0 110.897 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.63 27.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.4 mt -63.84 -25.87 68.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.407 -0.808 . . . . 0.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.471 ' CG2' ' SD ' ' B' ' 8' ' ' MET . 86.9 m -63.04 -55.34 26.44 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.598 -0.689 . . . . 0.0 110.932 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -80.45 -37.87 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.009 -1.057 . . . . 0.0 110.824 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' ' 87' ' ' ASN . . . -59.93 -39.78 86.69 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.435 0.636 . . . . 0.0 110.307 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 91.3 m -70.31 -39.97 74.49 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.1 -50.06 75.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.14 -0.975 . . . . 0.0 111.763 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 20.3 p-10 . . . . . 0 N--CA 1.494 1.76 0 O-C-N 120.93 -1.106 . . . . 0.0 110.449 -178.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.498 1.928 0 N-CA-C 109.31 -0.626 . . . . 0.0 109.31 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' B' ' 6' ' ' THR . 67.7 mm-40 -63.45 -57.64 9.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.971 -1.08 . . . . 0.0 111.163 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.425 ' CD1' HD23 ' A' ' 11' ' ' LEU . 19.0 tp -59.99 -34.31 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.64 -44.78 93.39 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.96 0.886 . . . . 0.0 108.96 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.3 p -67.34 -28.99 68.43 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.468 -0.77 . . . . 0.0 109.233 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -57.12 -46.51 82.58 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.36 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 82' ' ' THR . 28.0 ttt -60.09 -39.74 87.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.97 -40.07 94.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.369 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.5 p -67.93 -44.63 76.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.246 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 4' ' ' LEU . 87.6 mt -59.95 -40.08 87.75 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.266 -0.896 . . . . 0.0 110.41 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.56 -34.42 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.441 -0.787 . . . . 0.0 112.134 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -62.13 -39.94 94.25 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 120.174 -1.579 . . . . 0.0 108.913 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.425 HG23 ' N ' ' B' ' 15' ' ' PHE . 24.0 m -78.88 -37.59 20.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.133 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . 0.425 ' N ' HG23 ' B' ' 14' ' ' VAL . 64.9 t80 -60.0 -49.65 76.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.945 . . . . 0.0 110.608 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -76.54 -24.53 53.64 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.69 . . . . 0.0 111.62 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.94 1.3 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.422 -1.424 . . . . 0.0 110.863 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -60.06 -39.92 87.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.63 -1.293 . . . . 0.0 110.143 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' HD21 ' B' ' 28' ' ' LEU . 18.7 m -66.12 -7.97 20.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.498 -0.751 . . . . 0.0 110.987 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.01 15.29 60.76 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.307 -1.272 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.474 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 113.955 1.094 . . . . 0.0 113.955 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -141.46 148.16 39.04 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 119.871 -1.768 . . . . 0.0 110.131 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . 0.475 HD21 ' OG ' ' B' ' 19' ' ' SER . 1.7 mm? -96.28 164.72 12.54 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.989 0.899 . . . . 0.0 110.661 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 95.6 p -127.04 160.61 30.61 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -49.69 -40.32 39.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.78 -1.2 . . . . 0.0 110.346 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.419 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 19.1 tptm -71.1 -29.98 65.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.044 -1.035 . . . . 0.0 111.254 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.489 ' HB2' ' H ' ' B' ' 29' ' ' SER . 94.1 mt-10 -77.4 -34.94 54.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.636 -1.29 . . . . 0.0 108.851 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.47 -43.63 93.6 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.686 -0.634 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.47 -42.16 92.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.213 -0.929 . . . . 0.0 112.545 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 12.2 p-10 -75.49 -27.49 58.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.579 -1.326 . . . . 0.0 109.542 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.03 -40.0 94.2 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.541 -0.724 . . . . 0.0 112.163 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -86.12 -35.96 19.88 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.615 -1.303 . . . . 0.0 113.17 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.488 ' CB ' HE21 ' B' ' 48' ' ' GLN . 6.7 pt20 -68.27 -37.11 80.38 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.543 -1.348 . . . . 0.0 110.57 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -72.48 -49.97 29.31 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.629 -0.669 . . . . 0.0 112.28 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -86.05 -47.68 9.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.058 -1.027 . . . . 0.0 110.91 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -105.53 70.78 0.89 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -80.06 -23.34 41.44 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -105.75 3.87 29.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.91 -1.119 . . . . 0.0 111.927 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.45 -66.5 0.95 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.995 -1.066 . . . . 0.0 109.929 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.6 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.5 mm? -83.7 134.45 34.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.142 -0.974 . . . . 0.0 108.707 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -115.46 150.01 37.16 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.709 ' H ' ' NZ ' ' B' ' 49' ' ' LYS . 2.8 m -151.54 -36.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . 0.64 ' H ' ' NZ ' ' B' ' 49' ' ' LYS . 65.6 mt-30 -77.86 -51.59 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.787 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . 0.709 ' NZ ' ' H ' ' B' ' 47' ' ' VAL . 0.0 OUTLIER -67.81 -40.1 83.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.726 -1.234 . . . . 0.0 109.851 -179.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -99.95 94.58 6.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.181 -0.95 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -36.79 74.96 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.35 -39.97 89.05 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.85 81.04 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.381 -0.824 . . . . 0.0 110.97 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.04 -54.33 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 111.786 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 61.5 t0 -59.98 -40.07 87.83 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.512 -1.367 . . . . 0.0 110.745 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.447 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 5.9 mptp? -70.25 -36.58 74.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 0.0 111.779 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.4 pp -82.05 -53.4 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 119.969 -1.707 . . . . 0.0 109.698 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . 0.468 ' N ' HD12 ' B' ' 57' ' ' ILE . 1.6 tmt? -60.06 -48.16 82.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.251 -0.906 . . . . 0.0 112.255 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -67.63 -39.99 84.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.458 -1.401 . . . . 0.0 110.767 -178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 25.2 mp0 -89.6 -16.91 29.51 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.708 -1.245 . . . . 0.0 110.485 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' B' ' 57' ' ' ILE . 69.4 tp -78.6 -18.45 54.55 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 105.901 -1.888 . . . . 0.0 105.901 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 64' ' ' ASN . 11.3 m-20 -91.06 40.0 1.01 Allowed 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 174.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' B' ' 61' ' ' LEU . 80.2 tt0 -38.9 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 62' ' ' ASP . 96.6 m-20 -87.53 -5.53 58.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.62 -1.3 . . . . 0.0 108.724 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.38 31.08 23.15 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.706 -1.357 . . . . 0.0 109.706 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.62 ' C ' ' H ' ' B' ' 68' ' ' GLU . 66.4 m-20 -104.76 116.08 31.42 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.04 9.25 0.49 Allowed Glycine 0 C--N 1.281 -2.516 0 C-N-CA 117.573 -2.251 . . . . 0.0 108.865 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.62 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.8 mp0 -120.01 140.77 50.46 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.41 130.37 51.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 122.158 0.98 . . . . 0.0 111.221 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -80.08 162.39 24.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.47 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 47.0 p90 -59.96 -39.42 85.53 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.393 -0.817 . . . . 0.0 110.07 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.47 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 61.3 tt0 -66.37 -40.07 89.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.878 -1.139 . . . . 0.0 110.273 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.43 -40.04 74.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.569 -1.332 . . . . 0.0 111.082 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -70.35 -39.99 74.34 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.234 -0.916 . . . . 0.0 111.816 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . 0.449 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 9.6 p -69.9 -33.11 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.188 -0.945 . . . . 0.0 111.019 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.13 -59.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.236 -0.915 . . . . 0.0 110.968 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.99 -49.76 54.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.953 -1.092 . . . . 0.0 112.488 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.68 -40.0 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.88 -1.138 . . . . 0.0 110.736 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.59 -24.41 60.07 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -58.41 6.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.049 -1.032 . . . . 0.0 108.253 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.4 -26.74 65.4 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.584 0.707 . . . . 0.0 109.759 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.454 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 87.2 m -63.21 -55.29 26.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.437 -0.79 . . . . 0.0 111.081 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.417 ' H ' HG23 ' B' ' 83' ' ' VAL . 2.2 t -80.48 -37.72 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.083 -1.011 . . . . 0.0 110.793 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . 0.44 ' O ' ' OD1' ' B' ' 87' ' ' ASN . . . -60.06 -39.52 86.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.412 0.625 . . . . 0.0 110.236 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 77.1 m -70.5 -39.97 73.82 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.21 -50.05 75.21 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.192 -0.942 . . . . 0.0 111.773 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' B' ' 84' ' ' ALA . 20.2 p-10 . . . . . 0 N--CA 1.494 1.766 0 O-C-N 120.937 -1.102 . . . . 0.0 110.425 -178.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.1 t60 . . . . . 0 N--CA 1.486 1.353 0 CA-C-O 121.181 0.515 . . . . 0.0 110.101 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' LYS . . . . . 0.468 ' HZ1' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -60.3 -45.9 91.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.196 -0.94 . . . . 0.0 110.846 -179.746 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 tp -68.98 -56.73 6.89 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.977 -1.077 . . . . 0.0 111.17 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.36 -39.53 90.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.071 . . . . 0.0 110.107 -177.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 37.9 t . . . . . 0 N--CA 1.491 1.589 0 O-C-N 120.817 -1.177 . . . . 0.0 110.206 -179.097 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 . . . . . 0 N--CA 1.485 1.294 0 CA-C-O 120.979 0.419 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -45.36 94.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 110.996 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 tp -69.43 -56.68 6.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 111.198 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 14.1 mt -60.89 -39.75 90.47 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.071 -178.094 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 34.3 t . . . . . 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.166 -179.152 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t . . . . . 0 N--CA 1.499 2.002 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 6' ' ' THR . 59.1 mp0 -64.43 -50.92 65.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LEU . . . . . 0.652 ' HB2' HG21 ' B' ' 14' ' ' VAL . 12.5 tp -60.08 -40.02 88.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.08 -47.79 74.41 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.025 0.917 . . . . 0.0 108.846 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.3 p -65.98 -30.13 70.63 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . 0.521 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -59.95 -46.72 88.5 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.089 -178.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt -60.27 -43.65 96.01 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.709 -1.244 . . . . 0.0 109.785 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.64 -40.18 96.23 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.483 -0.761 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' THR . . . . . 0.513 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 14.3 p -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.578 -0.701 . . . . 0.0 109.934 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.54 HD23 HD13 ' B' ' 4' ' ' LEU . 56.5 mt -58.37 -35.43 71.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.368 -0.832 . . . . 0.0 110.575 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ILE . . . . . 0.484 HD13 ' N ' ' A' ' 12' ' ' ILE . 3.2 mm -79.98 -29.35 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 120.348 -1.47 . . . . 0.0 111.342 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -64.29 -40.49 96.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.027 -1.671 . . . . 0.0 109.635 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' B' ' 4' ' ' LEU . 2.0 m -81.19 -38.13 16.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.581 -0.699 . . . . 0.0 111.013 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.86 -50.18 74.78 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.885 -1.134 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.524 -0.735 . . . . 0.0 110.744 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.35 -64.72 1.12 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.706 -1.246 . . . . 0.0 111.048 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -65.41 -40.08 92.94 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.597 -1.314 . . . . 0.0 111.431 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 5.6 m -68.4 -14.4 62.97 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.282 -0.886 . . . . 0.0 111.141 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.46 14.09 56.66 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt . . . . . 0 N--CA 1.491 1.595 0 O-C-N 120.548 -1.56 . . . . 0.0 107.624 178.729 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.498 1.933 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -133.34 138.71 46.47 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.266 -1.521 . . . . 0.0 107.032 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LEU . . . . . 0.403 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 7.4 tp -95.0 157.42 15.9 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' SER . . . . . 0.535 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 45.9 t -136.54 165.77 25.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.467 -0.77 . . . . 0.0 109.865 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -47.72 -47.91 29.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.308 -0.87 . . . . 0.0 111.66 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.402 ' H ' ' HG2' ' A' ' 31' ' ' LYS . 24.0 pttm -70.86 -26.02 63.07 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.414 -1.429 . . . . 0.0 111.629 -178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . 0.535 ' HB2' ' H ' ' A' ' 29' ' ' SER . 33.1 mt-10 -74.61 -39.03 62.41 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.936 -1.102 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.08 -36.67 58.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 111.0 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.15 -41.32 92.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.625 -1.297 . . . . 0.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 54.1 t0 -79.39 -31.91 42.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.269 -0.894 . . . . 0.0 110.97 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.465 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 47.4 tp -66.21 -39.96 89.99 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.428 -0.795 . . . . 0.0 112.944 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 38' ' ' GLN . 2.7 pp -86.05 -40.11 16.1 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.568 -1.333 . . . . 0.0 113.166 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.451 ' N ' HD12 ' A' ' 37' ' ' LEU . 2.9 pt20 -64.81 -40.98 96.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.425 -1.422 . . . . 0.0 110.823 -177.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -70.74 -40.38 72.77 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.294 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 26.7 mp0 -95.02 -15.41 23.51 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.028 -1.045 . . . . 0.0 111.482 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.81 75.55 1.58 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.126 -0.984 . . . . 0.0 108.801 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 43' ' ' SER . 58.3 p -85.25 141.58 30.01 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.35 0.595 . . . . 0.0 109.395 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.7 OUTLIER 73.17 -2.77 2.63 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.466 -0.771 . . . . 0.0 110.929 179.016 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PHE . . . . . 0.406 ' C ' HD22 ' A' ' 45' ' ' LEU . 94.6 m-85 -109.14 -67.09 1.0 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.532 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.4 mm? -97.93 140.2 32.63 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' ' 47' ' ' VAL . 40.3 m-20 -124.87 153.3 42.81 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 109.098 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.3 m -158.21 -35.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -86.8 -20.96 26.8 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.315 -0.865 . . . . 0.0 110.198 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.61 -38.93 81.0 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -128.64 118.84 23.61 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.701 -0.624 . . . . 0.0 110.207 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -26.69 64.42 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.468 ' HB3' ' HZ1' ' C' ' 7' ' ' LYS . 85.1 m-20 -68.41 -26.12 65.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 108.779 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.11 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.114 -0.991 . . . . 0.0 110.412 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 10.5 t -69.65 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 112.331 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 20.8 p-10 -63.74 -40.06 95.82 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 120.7 -1.25 . . . . 0.0 111.05 -177.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 68.3 mttm -70.02 -38.84 76.01 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.198 -0.939 . . . . 0.0 111.655 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 61' ' ' LEU . 80.2 mt -82.04 -55.61 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.149 -0.969 . . . . 0.0 110.496 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' MET . . . . . 0.408 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.1 tmt? -60.39 -43.99 96.09 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.731 -0.606 . . . . 0.0 112.029 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.42 -36.37 78.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.401 -1.437 . . . . 0.0 109.136 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.99 -16.29 36.19 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.428 -0.795 . . . . 0.0 109.501 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.7 tp -85.07 -18.03 35.58 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 65' ' ' GLY . 6.9 m-20 -91.81 40.57 1.04 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.266 -2.864 . . . . 0.0 103.266 173.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' A' ' 61' ' ' LEU . 11.5 pt-20 -36.87 -20.59 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 111.705 -2.498 . . . . 0.0 110.939 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 62' ' ' ASP . 97.5 m-20 -85.02 5.88 27.55 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.03 35.95 78.97 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 42.7 p-10 -101.73 -16.42 16.66 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.079 -1.247 . . . . 0.0 110.595 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.9 -13.63 13.03 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLU . . . . . 0.439 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 99.4 mt-10 -107.86 133.64 51.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.13 139.71 21.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 O-C-N 121.461 -0.774 . . . . 0.0 110.581 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' GLN . 91.5 m-20 -97.62 122.73 41.03 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.365 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.4 p90 -27.43 -37.18 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLN . . . . . 0.555 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.1 tt0 -60.17 -42.08 94.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.87 -1.144 . . . . 0.0 109.813 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.5 mt-10 -66.51 -40.11 89.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.054 -1.029 . . . . 0.0 109.79 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.12 -40.14 88.67 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.37 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -71.53 -36.27 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.952 -1.092 . . . . 0.0 111.514 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.03 -58.46 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.061 . . . . 0.0 111.233 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.06 -44.26 69.52 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.064 -1.023 . . . . 0.0 113.017 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.07 -39.79 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 120.564 -1.335 . . . . 0.0 110.616 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.91 -26.67 49.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.109 -0.994 . . . . 0.0 110.227 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.07 67.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.768 -1.207 . . . . 0.0 109.137 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 24.6 mt -93.15 -25.12 18.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.587 -0.695 . . . . 0.0 109.977 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -69.7 -53.03 20.49 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.016 -178.561 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.463 ' N ' ' CG2' ' A' ' 82' ' ' THR . 2.2 t -73.86 -39.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.8 -1.187 . . . . 0.0 109.611 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.14 76.32 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.465 -0.772 . . . . 0.0 109.593 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.8 m -63.41 -40.02 96.06 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.167 -0.958 . . . . 0.0 109.383 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -60.9 -40.04 91.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.34 -0.85 . . . . 0.0 109.379 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.5 t30 . . . . . 0 N--CA 1.489 1.486 0 O-C-N 121.277 -0.889 . . . . 0.0 110.571 -178.834 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t . . . . . 0 N--CA 1.498 1.964 0 N-CA-C 108.737 -0.838 . . . . 0.0 108.737 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' B' ' 6' ' ' THR . 58.9 mp0 -64.25 -50.86 66.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' LEU . . . . . 0.625 ' HB2' HG21 ' A' ' 14' ' ' VAL . 12.6 tp -60.64 -39.51 88.54 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.566 -0.709 . . . . 0.0 109.827 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.53 -47.74 75.8 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 122.172 0.987 . . . . 0.0 108.584 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.0 p -66.17 -29.56 69.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.75 -0.594 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ALA . . . . . 0.513 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -60.21 -45.83 91.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.344 -0.847 . . . . 0.0 109.895 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.13 -43.84 95.39 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.069 -1.019 . . . . 0.0 109.735 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.93 -40.11 95.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 110.579 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 12.7 p -61.63 -44.59 96.7 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 109.854 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 4' ' ' LEU . 74.6 mt -57.7 -35.88 71.23 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.585 -0.697 . . . . 0.0 110.394 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' ILE . . . . . 0.5 ' N ' HD13 ' B' ' 12' ' ' ILE . 3.0 mm -79.61 -30.53 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 O-C-N 120.31 -1.494 . . . . 0.0 111.505 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -63.11 -40.23 97.02 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.122 -1.611 . . . . 0.0 109.655 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' ' 4' ' ' LEU . 2.4 m -81.96 -37.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.46 -0.775 . . . . 0.0 110.896 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 110.852 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -72.46 -22.39 61.08 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.588 -0.695 . . . . 0.0 110.559 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -65.0 1.06 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.671 -1.268 . . . . 0.0 111.062 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -65.15 -39.9 93.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.655 -1.278 . . . . 0.0 111.424 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 m -68.55 -14.35 62.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -0.915 . . . . 0.0 111.013 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.36 13.54 56.93 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt . . . . . 0 N--CA 1.493 1.7 0 O-C-N 120.543 -1.563 . . . . 0.0 107.679 178.849 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 4.6 m-85 . . . . . 0 N--CA 1.499 1.998 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -133.3 138.51 46.44 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.257 -1.527 . . . . 0.0 107.073 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -94.98 157.68 15.79 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' SER . . . . . 0.522 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 42.0 t -137.13 165.05 26.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.416 -0.802 . . . . 0.0 109.926 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -46.65 -48.32 19.98 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.287 -0.883 . . . . 0.0 111.757 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' B' ' 31' ' ' LYS . 23.8 pttm -71.22 -24.97 62.3 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.368 -1.458 . . . . 0.0 111.746 -178.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' GLU . . . . . 0.522 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.6 mt-10 -75.18 -38.89 60.67 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -75.81 -36.98 59.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.424 -0.798 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.755 -1.216 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.3 t0 -79.78 -31.67 40.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.291 -0.88 . . . . 0.0 110.789 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.473 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.7 tp -66.27 -40.0 89.81 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 112.912 -177.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 38' ' ' GLN . 2.7 pp -86.05 -40.05 16.16 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.413 -1.429 . . . . 0.0 113.12 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLN . . . . . 0.449 ' N ' HD12 ' B' ' 37' ' ' LEU . 3.0 pt20 -64.77 -40.94 96.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.605 -1.31 . . . . 0.0 110.724 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -70.79 -40.04 72.8 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.541 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 26.2 mp0 -95.29 -15.65 23.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.074 -1.016 . . . . 0.0 111.399 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -134.77 75.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.949 -1.095 . . . . 0.0 108.983 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 43' ' ' SER . 52.3 p -85.51 141.4 29.92 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.39 0.614 . . . . 0.0 109.524 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.7 OUTLIER 73.38 -2.86 2.62 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.66 -0.65 . . . . 0.0 110.777 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' PHE . . . . . 0.409 ' C ' HD22 ' B' ' 45' ' ' LEU . 95.8 m-85 -109.05 -67.43 0.98 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 45' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -97.77 140.08 32.69 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 46' ' ' ASP . . . . . 0.465 ' O ' HG13 ' B' ' 47' ' ' VAL . 41.5 m-20 -124.55 153.7 41.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.874 -1.141 . . . . 0.0 109.27 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 47' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 15.3 m -158.47 -36.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -86.88 -20.53 27.29 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.76 -39.13 80.41 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -128.83 119.4 24.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.503 -0.748 . . . . 0.0 109.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.25 64.08 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.78 -25.71 64.84 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 108.911 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -38.63 66.4 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.267 -0.896 . . . . 0.0 110.726 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 54' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 11.5 t -70.75 -55.57 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.895 . . . . 0.0 112.02 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 55' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 20.4 p-10 -63.9 -40.05 95.6 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 120.805 -1.184 . . . . 0.0 111.09 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 56' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 68.7 mttm -69.94 -38.62 76.22 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 111.836 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 57' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' B' ' 61' ' ' LEU . 85.3 mt -82.21 -55.37 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.195 -0.94 . . . . 0.0 110.399 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -45.06 94.05 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.693 -0.629 . . . . 0.0 112.102 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.9 -36.22 79.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.647 -1.283 . . . . 0.0 109.087 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -87.28 -16.2 35.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.372 -0.83 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 61' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' B' ' 63' ' ' GLU . 52.3 tp -84.93 -18.44 34.62 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 62' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' B' ' 65' ' ' GLY . 7.9 m-20 -91.55 40.72 1.04 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 103.38 -2.822 . . . . 0.0 103.38 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 63' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' B' ' 61' ' ' LEU . 11.5 pt-20 -37.0 -20.55 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 111.688 -2.505 . . . . 0.0 110.907 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 64' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 62' ' ' ASP . 97.7 m-20 -84.83 5.23 29.55 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 65' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 58.75 34.92 79.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 66' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 43.0 p-10 -100.7 -16.64 17.3 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.008 -1.289 . . . . 0.0 110.402 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.98 -12.54 11.23 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 68' ' ' GLU . . . . . 0.423 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 99.4 mt-10 -107.52 135.86 48.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 69' ' ' VAL . . . . . 0.4 HG22 ' OD1' ' B' ' 62' ' ' ASP . 71.1 t -102.24 140.14 21.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 O-C-N 121.249 -0.907 . . . . 0.0 110.381 -177.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.4 m-20 -97.88 122.79 41.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.525 -0.734 . . . . 0.0 109.332 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.8 p90 -27.21 -37.45 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 72' ' ' GLN . . . . . 0.55 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.3 tt0 -60.04 -41.88 93.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.912 -1.118 . . . . 0.0 110.013 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 73' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.6 mt-10 -66.79 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.965 . . . . 0.0 109.698 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.58 -36.4 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.006 -1.059 . . . . 0.0 111.352 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.94 -58.47 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.877 -1.139 . . . . 0.0 111.27 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 tt -70.01 -44.47 69.25 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.896 -1.127 . . . . 0.0 112.878 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.33 -39.35 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.612 -1.305 . . . . 0.0 110.579 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.15 -26.69 47.89 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.044 -1.035 . . . . 0.0 110.227 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -21.71 66.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.744 -1.223 . . . . 0.0 109.702 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 81' ' ' LEU . . . . . 0.484 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 23.6 mt -96.16 -25.05 15.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.419 -0.8 . . . . 0.0 109.701 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 82' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -69.76 -52.66 23.38 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.91 -178.33 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 83' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 82' ' ' THR . 2.2 t -74.41 -39.14 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.812 -1.18 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.73 75.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.21 -0.931 . . . . 0.0 109.738 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 85' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 56.1 m -63.19 -39.82 95.74 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.463 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -61.12 -40.09 92.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.398 -0.814 . . . . 0.0 109.595 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 41.7 t30 . . . . . 0 C--N 1.302 -1.489 0 O-C-N 121.528 -0.732 . . . . 0.0 110.528 -178.835 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.472 ' HD2' ' H1 ' ' C' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.524 -0.547 . . . . 0.0 109.524 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.02 -41.06 91.36 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.085 -1.009 . . . . 0.0 110.328 -179.387 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.17 -47.31 86.49 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.958 -1.089 . . . . 0.0 110.064 -179.516 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 27.3 m -72.84 -24.69 21.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 121.149 -0.969 . . . . 0.0 109.857 -179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 22.4 t-105 -60.01 -39.99 87.71 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.3 -0.875 . . . . 0.0 108.982 -179.073 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -60.03 -39.76 87.02 Favored 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.411 -0.806 . . . . 0.0 109.578 179.383 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -59.61 -50.17 74.93 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.169 -0.957 . . . . 0.0 110.271 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.509 ' O ' ' N ' ' C' ' 12' ' ' GLN . 55.9 tp -61.17 -49.98 75.03 Favored 'General case' 0 C--N 1.3 -1.569 0 O-C-N 121.119 -0.988 . . . . 0.0 110.973 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.502 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.1 mp -68.66 -39.96 80.42 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.155 -0.966 . . . . 0.0 109.573 -179.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 84.3 p -69.15 -54.43 14.92 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.99 -1.069 . . . . 0.0 109.075 179.427 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.404 ' O ' ' C ' ' C' ' 12' ' ' GLN . 3.8 tppp? -69.85 -43.44 71.92 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.378 -0.826 . . . . 0.0 109.296 179.458 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.509 ' N ' ' O ' ' C' ' 8' ' ' LEU . 57.5 tt0 . . . . . 0 N--CA 1.496 1.865 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.403 -179.637 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.404 ' HD2' ' H1 ' ' D' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.368 -0.605 . . . . 0.0 109.368 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 81.2 tttt -59.98 -40.78 90.28 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.134 -0.979 . . . . 0.0 110.333 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.37 86.26 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.011 -1.056 . . . . 0.0 110.078 -179.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 28.0 m -72.92 -24.65 21.28 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.166 -0.959 . . . . 0.0 109.87 -179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 22.0 t-105 -60.02 -40.0 87.78 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.334 -0.854 . . . . 0.0 108.954 -179.081 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -59.94 -39.68 86.38 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.393 -0.817 . . . . 0.0 109.58 179.398 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 55.9 tttp -59.84 -49.98 75.59 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.184 -0.947 . . . . 0.0 110.204 -178.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.514 ' O ' ' N ' ' D' ' 12' ' ' GLN . 54.9 tp -61.3 -49.99 74.81 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.097 -1.002 . . . . 0.0 110.887 -178.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.1 mp -68.6 -39.98 80.66 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.187 -0.945 . . . . 0.0 109.561 -179.699 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 91.6 p -69.12 -54.47 14.8 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.005 -1.06 . . . . 0.0 109.106 179.379 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.409 ' O ' ' C ' ' D' ' 12' ' ' GLN . 3.7 tppp? -69.88 -43.36 71.99 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.344 -0.848 . . . . 0.0 109.339 179.569 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.514 ' N ' ' O ' ' D' ' 8' ' ' LEU . 59.2 tt0 . . . . . 0 N--CA 1.497 1.912 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.391 -179.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.437 ' O ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.204 2.442 . . . . 0.0 119.204 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -108.23 15.9 23.71 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.414 -1.051 . . . . 0.0 108.26 178.698 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.556 ' OE2' ' ND2' ' B' ' 13' ' ' ASN . 96.9 mt-10 -64.87 -54.99 22.3 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.758 -0.589 . . . . 0.0 111.055 -179.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.441 ' CG ' HG11 ' B' ' 14' ' ' VAL . 78.5 mt -58.0 -39.66 78.82 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.873 -1.142 . . . . 0.0 111.019 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -53.72 -44.42 69.85 Favored 'General case' 0 C--N 1.298 -1.632 0 O-C-N 120.715 -1.24 . . . . 0.0 108.592 -179.404 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.5 p -70.58 -34.88 72.68 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.403 -0.811 . . . . 0.0 110.115 178.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.36 -52.7 60.79 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.347 -0.846 . . . . 0.0 110.44 -177.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.2 ttt -60.01 -40.04 87.86 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.018 -1.051 . . . . 0.0 109.768 179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.41 -40.02 92.88 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.303 -0.873 . . . . 0.0 110.507 -179.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.427 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 4.0 p -69.43 -46.1 67.58 Favored 'General case' 0 C--N 1.298 -1.665 0 CA-C-O 121.812 0.815 . . . . 0.0 110.725 -178.124 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 90.7 mt -60.14 -49.68 76.67 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.762 -0.586 . . . . 0.0 112.305 -178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 47.2 mt -76.37 -39.81 34.53 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 121.244 -0.91 . . . . 0.0 112.438 -176.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.553 ' ND2' ' OE2' ' B' ' 3' ' ' GLU . 34.9 t30 -60.01 -40.01 87.77 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 119.984 -1.697 . . . . 0.0 109.895 -178.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.431 HG11 ' CG ' ' B' ' 4' ' ' LEU . 9.8 p -80.42 -29.92 12.29 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 O-C-N 121.366 -0.834 . . . . 0.0 110.318 -179.748 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 64.4 t80 -60.03 -53.35 58.9 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.257 -0.902 . . . . 0.0 111.361 -179.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -80.34 -20.83 43.29 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.972 -177.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.38 3.22 Favored 'General case' 0 C--N 1.3 -1.583 0 O-C-N 120.574 -1.329 . . . . 0.0 110.696 -178.411 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 63.3 t-80 -80.38 -25.57 39.07 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.681 -1.262 . . . . 0.0 111.261 -178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' HD21 ' A' ' 28' ' ' LEU . 20.4 m -60.38 -22.99 63.96 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 120.661 -1.274 . . . . 0.0 110.818 -178.547 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.21 28.02 10.15 Favored Glycine 0 N--CA 1.498 2.831 0 N-CA-C 109.554 -1.418 . . . . 0.0 109.554 -179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 6.7 tptt -74.1 -41.17 62.08 Favored 'General case' 0 C--N 1.304 -1.376 0 O-C-N 121.02 -1.282 . . . . 0.0 109.151 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -137.5 -19.35 1.22 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.258 -0.901 . . . . 0.0 110.397 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -88.97 -130.93 3.91 Favored Glycine 0 N--CA 1.497 2.711 0 O-C-N 120.904 -1.123 . . . . 0.0 110.48 -178.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -96.46 163.96 12.83 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.443 -1.033 . . . . 0.0 109.393 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 61.3 mttp -51.56 -39.44 57.83 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.38 -0.825 . . . . 0.0 111.425 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 36.7 p90 -146.83 52.45 1.1 Allowed 'General case' 0 N--CA 1.503 2.206 0 O-C-N 120.259 -1.526 . . . . 0.0 112.669 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.39 141.53 35.57 Favored 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 106.086 -1.82 . . . . 0.0 106.086 175.117 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.496 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -98.05 154.36 17.77 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.762 -1.211 . . . . 0.0 110.651 -178.269 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.456 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 70.9 m -127.59 160.97 29.95 Favored 'General case' 0 C--N 1.295 -1.78 0 N-CA-C 106.195 -1.78 . . . . 0.0 106.195 178.553 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 29' ' ' SER . 34.4 ttmt -47.95 -41.16 24.28 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.213 -1.395 . . . . 0.0 110.032 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 74.1 tttt -70.88 -32.6 69.62 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.117 -0.989 . . . . 0.0 112.193 -178.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.456 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.3 mt-10 -76.47 -38.26 55.63 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.481 -1.387 . . . . 0.0 108.857 178.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -60.0 -50.02 75.36 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.723 -0.611 . . . . 0.0 112.36 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.0 ptmt -68.99 -30.0 68.31 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.815 -1.178 . . . . 0.0 112.26 -177.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 58.9 t0 -76.25 -35.18 59.08 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.621 -1.299 . . . . 0.0 109.346 179.702 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.552 HD23 ' O ' ' A' ' 36' ' ' LEU . 0.6 OUTLIER -65.92 -36.3 83.0 Favored 'General case' 0 C--N 1.287 -2.122 0 O-C-N 120.881 -1.137 . . . . 0.0 110.593 -178.59 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 90.5 mt -80.36 -39.93 27.58 Favored 'General case' 0 N--CA 1.503 2.204 0 O-C-N 120.716 -1.24 . . . . 0.0 112.162 -178.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -68.98 -18.3 64.04 Favored 'General case' 0 C--N 1.295 -1.774 0 O-C-N 120.647 -1.283 . . . . 0.0 108.192 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 42.1 m -67.74 -70.23 0.27 Allowed 'General case' 0 C--N 1.308 -1.239 0 O-C-N 121.814 -0.554 . . . . 0.0 111.064 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 44.2 tp10 -107.78 -31.86 7.87 Favored 'General case' 0 N--CA 1.509 2.513 0 CA-C-N 120.325 1.42 . . . . 0.0 113.046 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 6.5 mt -92.84 66.04 4.24 Favored 'General case' 0 N--CA 1.508 2.441 0 O-C-N 120.209 -1.557 . . . . 0.0 108.92 -179.825 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.413 ' C ' ' H ' ' A' ' 44' ' ' PHE . 95.7 p -84.01 144.17 29.29 Favored 'General case' 0 C--N 1.306 -1.307 0 CA-C-N 115.397 -0.82 . . . . 0.0 109.024 178.675 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.9 p 68.92 -7.0 0.8 Allowed 'General case' 0 C--N 1.291 -1.973 0 O-C-N 121.097 -1.002 . . . . 0.0 110.571 178.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.457 ' C ' HD22 ' A' ' 45' ' ' LEU . 97.4 m-85 -103.72 -61.19 1.46 Allowed 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 106.701 -1.592 . . . . 0.0 106.701 177.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.459 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 2.7 mm? -105.82 136.03 46.19 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 105.929 -1.878 . . . . 0.0 105.929 177.225 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -118.9 152.17 36.8 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.671 -1.268 . . . . 0.0 109.049 -178.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.492 HG23 ' N ' ' A' ' 48' ' ' GLN . 34.0 m -159.36 -34.64 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.552 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.518 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.492 ' N ' HG23 ' A' ' 47' ' ' VAL . 12.7 pt20 -75.85 -55.44 5.62 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.188 -0.945 . . . . 0.0 111.981 -177.386 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 48.1 pttt -70.05 -32.61 70.8 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.704 -1.248 . . . . 0.0 110.575 -179.027 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.451 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 14.9 p-10 -99.78 94.66 6.45 Favored 'General case' 0 N--CA 1.5 2.033 0 O-C-N 121.101 -0.999 . . . . 0.0 109.505 179.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -37.95 75.94 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.48 -0.762 . . . . 0.0 110.373 -179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -59.98 -38.31 82.19 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.113 -0.992 . . . . 0.0 108.362 -179.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.58 -39.15 90.14 Favored 'General case' 0 C--N 1.297 -1.7 0 O-C-N 121.641 -0.662 . . . . 0.0 111.277 179.6 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.44 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 60.1 t -69.59 -55.68 14.24 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.912 -1.117 . . . . 0.0 112.189 -177.546 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 80.3 m-20 -65.84 -40.43 91.75 Favored 'General case' 0 C--N 1.292 -1.905 0 O-C-N 120.314 -1.491 . . . . 0.0 111.133 -177.496 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.1 ttpp -70.16 -40.07 74.95 Favored 'General case' 0 C--N 1.297 -1.684 0 O-C-N 121.082 -1.011 . . . . 0.0 111.723 -178.432 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.539 ' O ' ' N ' ' A' ' 61' ' ' LEU . 91.3 mt -80.96 -52.32 14.3 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.459 0 O-C-N 121.062 -1.024 . . . . 0.0 110.916 -177.144 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.502 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -62.4 -44.43 96.47 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.654 -0.654 . . . . 0.0 111.214 -177.853 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 18.9 ttpp -69.41 -35.84 76.13 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.917 -1.114 . . . . 0.0 109.831 -179.282 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.89 -18.65 25.75 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.122 -0.986 . . . . 0.0 109.695 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.575 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.2 tp -75.87 -24.76 55.74 Favored 'General case' 0 N--CA 1.499 2.0 0 N-CA-C 105.69 -1.967 . . . . 0.0 105.69 -179.678 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.559 ' O ' ' N ' ' A' ' 64' ' ' ASN . 16.0 m-20 -86.97 43.51 1.1 Allowed 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 104.654 -2.35 . . . . 0.0 104.654 175.13 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.575 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.3 tt0 -38.34 -19.13 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.184 0 CA-C-N 111.878 -2.419 . . . . 0.0 110.639 -179.188 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 7.9 m120 -88.43 -4.82 58.56 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.59 -1.319 . . . . 0.0 108.627 179.559 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 83.18 36.62 14.34 Favored Glycine 0 N--CA 1.486 1.983 0 N-CA-C 108.864 -1.694 . . . . 0.0 108.864 179.411 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' A' ' 68' ' ' GLU . 16.2 t0 -109.87 110.2 21.09 Favored 'General case' 0 C--N 1.307 -1.24 0 N-CA-C 105.388 -2.078 . . . . 0.0 105.388 179.687 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.19 8.36 0.1 OUTLIER Glycine 0 N--CA 1.495 2.616 0 O-C-N 119.067 -2.271 . . . . 0.0 110.198 -179.343 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.626 ' H ' ' C ' ' A' ' 66' ' ' ASP . 96.9 mt-10 -120.35 143.5 48.37 Favored 'General case' 0 N--CA 1.481 1.116 0 N-CA-C 107.199 -1.408 . . . . 0.0 107.199 178.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.7 t -104.99 136.54 38.3 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.641 0 CA-C-O 122.077 0.941 . . . . 0.0 110.975 -177.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.07 163.05 18.14 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 121.386 -0.821 . . . . 0.0 108.866 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.536 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 53.9 p90 -59.91 -40.05 87.5 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.144 -0.972 . . . . 0.0 110.303 179.613 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.536 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.7 tt0 -63.0 -39.95 96.31 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 121.067 -1.02 . . . . 0.0 111.153 -178.472 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 93.2 mt-10 -68.92 -39.97 79.34 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.477 -1.389 . . . . 0.0 109.769 -178.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -64.77 -40.04 94.62 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 -178.436 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 3.2 p -69.75 -38.41 76.01 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 O-C-N 120.967 -1.083 . . . . 0.0 111.548 -178.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 77.6 t -69.38 -58.83 4.5 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.737 0 O-C-N 121.042 -1.036 . . . . 0.0 112.114 -177.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.78 -39.99 72.86 Favored 'General case' 0 N--CA 1.495 1.805 0 O-C-N 120.692 -1.255 . . . . 0.0 112.348 -176.655 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 36.0 t -68.87 -38.72 79.04 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 120.811 -1.181 . . . . 0.0 109.961 -178.615 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.71 -24.75 62.71 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.443 -0.786 . . . . 0.0 109.278 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.79 -53.04 57.05 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.965 -1.085 . . . . 0.0 108.62 178.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 16.0 mt -65.09 -25.1 67.65 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.462 -0.774 . . . . 0.0 109.652 179.514 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.433 ' O ' ' OD1' ' A' ' 86' ' ' ASN . 88.2 m -64.52 -55.53 19.98 Favored 'General case' 0 C--N 1.297 -1.701 0 C-N-CA 119.419 -0.912 . . . . 0.0 110.69 -177.486 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.406 ' H ' HG23 ' A' ' 83' ' ' VAL . 1.4 t -79.48 -32.56 14.74 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.947 0 O-C-N 120.989 -1.07 . . . . 0.0 110.605 -178.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.98 -52.46 56.1 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.562 -0.711 . . . . 0.0 110.453 -178.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 86.6 m -60.08 -39.96 87.87 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 121.583 -0.698 . . . . 0.0 109.922 -179.063 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.433 ' OD1' ' O ' ' A' ' 82' ' ' THR . 21.4 m120 -60.1 -40.05 88.27 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.242 -0.911 . . . . 0.0 110.476 179.804 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.3 t30 -59.99 -43.95 94.83 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.955 -1.09 . . . . 0.0 110.507 -178.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -59.95 -40.05 87.67 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.894 -1.129 . . . . 0.0 109.322 -179.791 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.43 ' CG ' ' N ' ' A' ' 90' ' ' TRP . 19.9 t80 45.75 -169.94 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.605 0 CA-C-O 121.892 0.853 . . . . 0.0 110.633 179.325 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.43 ' N ' ' CG ' ' A' ' 89' ' ' PHE . 85.1 t90 -68.8 -16.44 63.79 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 121.348 0.594 . . . . 0.0 109.57 179.763 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -52.82 -24.62 9.36 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.411 -0.806 . . . . 0.0 109.408 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.8 t30 -80.13 -3.61 49.52 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.118 -0.989 . . . . 0.0 109.441 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.8 t . . . . . 0 N--CA 1.49 1.574 0 CA-C-O 117.99 -1.005 . . . . 0.0 109.117 179.898 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.465 ' O ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.893 0 N-CA-C 119.261 2.464 . . . . 0.0 119.261 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.5 t -108.14 15.45 24.19 Favored 'General case' 0 N--CA 1.499 2.016 0 O-C-N 121.395 -1.062 . . . . 0.0 108.23 178.58 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.553 ' OE2' ' ND2' ' A' ' 13' ' ' ASN . 97.3 mt-10 -64.63 -54.78 26.49 Favored 'General case' 0 C--N 1.299 -1.609 0 O-C-N 121.742 -0.599 . . . . 0.0 111.011 -179.396 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.431 ' CG ' HG11 ' A' ' 14' ' ' VAL . 79.2 mt -58.2 -39.7 79.64 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.871 -1.143 . . . . 0.0 110.906 -177.227 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -53.25 -45.08 68.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.686 -1.259 . . . . 0.0 108.58 -179.545 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 20.5 p -70.48 -33.26 71.04 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.481 -0.762 . . . . 0.0 110.038 179.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.452 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -56.23 -51.77 66.87 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.296 -0.878 . . . . 0.0 110.279 -175.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 13.8 ttt -59.99 -40.06 87.87 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.41 -0.806 . . . . 0.0 109.711 179.692 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 88.1 tt0 -61.5 -40.01 93.04 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.318 -0.864 . . . . 0.0 110.435 -179.708 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 3.6 p -69.35 -46.24 67.49 Favored 'General case' 0 C--N 1.299 -1.597 0 CA-C-O 121.715 0.769 . . . . 0.0 110.632 -178.233 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.2 mt -60.04 -49.59 77.08 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.763 -0.586 . . . . 0.0 112.456 -178.289 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 47.9 mt -76.31 -39.97 35.15 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.818 0 O-C-N 121.126 -0.983 . . . . 0.0 112.389 -176.779 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.556 ' ND2' ' OE2' ' A' ' 3' ' ' GLU . 33.9 t30 -60.08 -39.93 87.79 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.117 -1.614 . . . . 0.0 109.804 -178.563 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.441 HG11 ' CG ' ' A' ' 4' ' ' LEU . 8.7 p -80.31 -30.03 12.48 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 121.338 -0.851 . . . . 0.0 110.344 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -60.04 -53.35 58.88 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.181 -0.949 . . . . 0.0 111.428 -179.777 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 38.5 m80 -80.3 -20.94 43.18 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 122.022 -0.424 . . . . 0.0 111.972 -177.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -68.41 -59.25 3.31 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 120.56 -1.337 . . . . 0.0 110.695 -178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 63.1 t-80 -80.36 -25.52 39.15 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 120.682 -1.261 . . . . 0.0 111.285 -178.571 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.423 ' OG ' HD11 ' B' ' 28' ' ' LEU . 20.6 m -60.35 -23.05 63.96 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.627 -1.296 . . . . 0.0 110.824 -178.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -111.29 28.33 9.79 Favored Glycine 0 N--CA 1.499 2.882 0 N-CA-C 109.448 -1.461 . . . . 0.0 109.448 -179.237 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 5.8 tptt -74.24 -41.33 61.49 Favored 'General case' 0 C--N 1.304 -1.382 0 O-C-N 121.052 -1.264 . . . . 0.0 109.078 -179.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 24.3 mt-10 -137.64 -18.88 1.22 Allowed 'General case' 0 N--CA 1.503 2.21 0 O-C-N 121.23 -0.919 . . . . 0.0 110.276 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -89.3 -131.21 4.14 Favored Glycine 0 N--CA 1.496 2.665 0 O-C-N 120.834 -1.167 . . . . 0.0 110.393 -178.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -96.3 163.99 12.84 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.443 -1.033 . . . . 0.0 109.423 -179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 61.5 mttp -51.58 -39.18 57.41 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.411 -0.805 . . . . 0.0 111.465 -178.244 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 36.4 p90 -146.98 52.54 1.09 Allowed 'General case' 0 N--CA 1.504 2.265 0 O-C-N 120.283 -1.511 . . . . 0.0 112.682 -179.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.406 ' C ' HD22 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -140.49 141.59 35.37 Favored 'General case' 0 N--CA 1.496 1.855 0 N-CA-C 106.094 -1.817 . . . . 0.0 106.094 175.072 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -98.26 154.28 17.91 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.644 -1.285 . . . . 0.0 110.708 -178.202 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.457 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 73.8 m -127.33 161.05 29.54 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 106.264 -1.754 . . . . 0.0 106.264 178.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 34.1 ttmt -48.03 -40.93 24.32 Favored 'General case' 0 N--CA 1.496 1.828 0 C-N-CA 118.237 -1.385 . . . . 0.0 109.998 179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -71.83 -31.75 66.85 Favored 'General case' 0 N--CA 1.499 2.006 0 O-C-N 121.095 -1.003 . . . . 0.0 112.009 -178.744 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.457 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.0 mt-10 -76.6 -38.28 55.08 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.405 -1.435 . . . . 0.0 108.865 178.649 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.3 tt -59.95 -50.03 75.35 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.747 -0.596 . . . . 0.0 112.455 -179.492 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 13.1 ptmt -69.21 -29.75 67.78 Favored 'General case' 0 N--CA 1.499 1.998 0 O-C-N 120.764 -1.21 . . . . 0.0 112.289 -177.373 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 59.1 t0 -76.29 -35.27 58.94 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.647 -1.283 . . . . 0.0 109.358 179.608 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.561 HD23 ' O ' ' B' ' 36' ' ' LEU . 0.7 OUTLIER -65.88 -36.22 82.83 Favored 'General case' 0 C--N 1.288 -2.091 0 O-C-N 120.902 -1.124 . . . . 0.0 110.666 -178.622 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 89.9 mt -80.64 -39.23 27.72 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.619 -1.301 . . . . 0.0 112.174 -178.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 5.0 pp0? -69.61 -18.17 63.59 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 120.649 -1.282 . . . . 0.0 108.22 179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 37.0 m -67.81 -70.33 0.26 Allowed 'General case' 0 C--N 1.307 -1.27 0 O-C-N 121.904 -0.497 . . . . 0.0 111.007 179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.437 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 45.0 tp10 -107.56 -31.94 7.9 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 120.26 1.391 . . . . 0.0 113.101 -177.541 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 7.4 mt -92.85 66.22 4.26 Favored 'General case' 0 N--CA 1.507 2.413 0 O-C-N 120.15 -1.594 . . . . 0.0 109.002 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.427 ' C ' ' H ' ' B' ' 44' ' ' PHE . 96.4 p -84.01 144.45 29.11 Favored 'General case' 0 C--N 1.305 -1.338 0 CA-C-N 115.379 -0.828 . . . . 0.0 108.993 178.597 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.4 ' CB ' ' O ' ' B' ' 42' ' ' SER . 2.8 p 68.66 -7.28 0.74 Allowed 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.179 -0.951 . . . . 0.0 110.569 178.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.44 ' C ' HD22 ' B' ' 45' ' ' LEU . 96.9 m-85 -103.3 -61.46 1.41 Allowed 'General case' 0 N--CA 1.496 1.848 0 N-CA-C 106.652 -1.61 . . . . 0.0 106.652 177.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.463 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 2.6 mm? -105.68 136.38 45.4 Favored 'General case' 0 N--CA 1.49 1.533 0 N-CA-C 105.934 -1.876 . . . . 0.0 105.934 177.17 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 87.4 m-20 -119.02 152.05 37.12 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.659 -1.276 . . . . 0.0 109.014 -178.866 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.511 HG23 ' N ' ' B' ' 48' ' ' GLN . 33.9 m -159.25 -34.87 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.535 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 179.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.511 ' N ' HG23 ' B' ' 47' ' ' VAL . 12.4 pt20 -75.85 -55.42 5.64 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.175 -0.953 . . . . 0.0 111.983 -177.379 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.8 pttt -70.03 -32.7 70.97 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 120.708 -1.245 . . . . 0.0 110.566 -179.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' B' ' 50' ' ' ASP . 14.6 p-10 -99.73 94.66 6.46 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.097 -1.002 . . . . 0.0 109.573 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.98 -38.17 75.95 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.532 -0.73 . . . . 0.0 110.399 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -60.01 -37.78 80.72 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.108 -0.995 . . . . 0.0 108.383 -179.422 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.87 -36.26 82.71 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.668 -0.645 . . . . 0.0 111.785 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.439 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 62.4 t -71.46 -55.6 13.22 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.503 0 O-C-N 120.897 -1.127 . . . . 0.0 112.085 -178.619 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 80.7 m-20 -65.84 -40.23 91.55 Favored 'General case' 0 C--N 1.293 -1.851 0 O-C-N 120.397 -1.439 . . . . 0.0 111.116 -177.447 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -70.41 -40.0 74.13 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.091 -1.006 . . . . 0.0 111.677 -178.459 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.551 ' O ' ' N ' ' B' ' 61' ' ' LEU . 92.0 mt -80.99 -52.41 14.15 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.449 0 O-C-N 121.089 -1.007 . . . . 0.0 110.891 -177.139 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.5 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -62.03 -44.77 95.99 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 121.685 -0.634 . . . . 0.0 111.364 -177.911 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 18.8 ttpp -69.2 -36.01 76.83 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.913 -1.117 . . . . 0.0 109.844 -179.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -89.8 -18.63 25.91 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.12 -0.987 . . . . 0.0 109.718 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' GLU . 44.0 tp -75.89 -24.8 55.68 Favored 'General case' 0 N--CA 1.499 1.988 0 N-CA-C 105.7 -1.963 . . . . 0.0 105.7 -179.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.564 ' O ' ' N ' ' B' ' 64' ' ' ASN . 15.1 m-20 -86.9 43.38 1.09 Allowed 'General case' 0 N--CA 1.485 1.314 0 N-CA-C 104.666 -2.346 . . . . 0.0 104.666 175.118 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' LEU . 84.0 tt0 -38.2 -19.24 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 112.016 -2.356 . . . . 0.0 110.6 -179.113 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.564 ' N ' ' O ' ' B' ' 62' ' ' ASP . 7.7 m120 -88.3 -4.94 58.61 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.65 -1.281 . . . . 0.0 108.758 179.63 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.481 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 84.15 34.31 18.02 Favored Glycine 0 N--CA 1.485 1.958 0 N-CA-C 109.133 -1.587 . . . . 0.0 109.133 179.316 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.608 ' C ' ' H ' ' B' ' 68' ' ' GLU . 18.2 t0 -107.92 110.33 22.05 Favored 'General case' 0 C--N 1.307 -1.263 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 -179.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.64 8.61 0.12 Allowed Glycine 0 N--CA 1.492 2.421 0 O-C-N 118.999 -2.313 . . . . 0.0 110.118 -179.446 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.608 ' H ' ' C ' ' B' ' 66' ' ' ASP . 96.8 mt-10 -120.38 143.36 48.47 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 178.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 52.9 t -104.39 136.75 36.37 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.727 0 CA-C-O 122.038 0.923 . . . . 0.0 110.96 -177.36 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -86.2 163.07 18.01 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 108.825 -0.806 . . . . 0.0 108.825 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.535 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.7 p90 -59.98 -39.99 87.56 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 121.12 -0.988 . . . . 0.0 110.248 179.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.535 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.5 tt0 -62.91 -40.02 96.32 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.081 -1.012 . . . . 0.0 111.134 -178.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.9 mt-10 -68.96 -40.04 79.14 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.458 -1.401 . . . . 0.0 109.767 -178.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -64.79 -39.96 94.46 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 112.705 0.632 . . . . 0.0 112.705 -178.417 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 3.4 p -69.74 -38.2 75.56 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.863 -1.148 . . . . 0.0 111.584 -178.223 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 73.7 t -69.54 -58.81 4.55 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 121.07 -1.019 . . . . 0.0 112.131 -177.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -70.69 -40.05 73.15 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.644 -1.285 . . . . 0.0 112.26 -176.641 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 37.8 t -69.11 -38.55 78.29 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.812 -1.18 . . . . 0.0 109.87 -178.44 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.96 -24.33 62.39 Favored 'General case' 0 C--N 1.296 -1.737 0 O-C-N 121.437 -0.789 . . . . 0.0 109.419 179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.53 -57.37 10.39 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.4 -1.333 . . . . 0.0 107.4 178.435 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 17.8 mt -60.14 -26.15 66.06 Favored 'General case' 0 N--CA 1.498 1.957 0 CA-C-O 121.543 0.687 . . . . 0.0 109.771 -179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.419 ' O ' ' OD1' ' B' ' 86' ' ' ASN . 91.1 m -64.51 -55.63 19.37 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.069 -1.019 . . . . 0.0 110.834 -177.428 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 1.4 t -79.4 -32.21 14.67 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.927 0 O-C-N 120.88 -1.138 . . . . 0.0 110.704 -178.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.72 -53.18 51.3 Favored 'General case' 0 C--N 1.296 -1.742 0 CA-C-O 121.572 0.701 . . . . 0.0 110.339 -178.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 83.6 m -60.01 -40.05 87.9 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 121.643 -0.661 . . . . 0.0 109.771 -178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.419 ' OD1' ' O ' ' B' ' 82' ' ' THR . 21.8 m120 -60.09 -40.0 88.08 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.154 -0.966 . . . . 0.0 110.451 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -60.04 -43.83 95.07 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.983 -1.073 . . . . 0.0 110.525 -178.699 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 42.6 m-85 -59.99 -40.01 87.72 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.902 -1.124 . . . . 0.0 109.308 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.431 ' CG ' ' N ' ' B' ' 90' ' ' TRP . 19.4 t80 45.73 -169.87 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.596 0 CA-C-O 121.845 0.831 . . . . 0.0 110.672 179.372 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.431 ' N ' ' CG ' ' B' ' 89' ' ' PHE . 84.9 t90 -68.89 -16.49 63.77 Favored 'General case' 0 N--CA 1.491 1.608 0 CA-C-O 121.38 0.609 . . . . 0.0 109.526 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 53.5 tp10 -52.79 -24.51 9.01 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.341 -0.849 . . . . 0.0 109.424 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 57.7 t30 -80.33 -3.43 49.45 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.155 -0.966 . . . . 0.0 109.389 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.4 t . . . . . 0 N--CA 1.49 1.543 0 CA-C-O 118.02 -0.99 . . . . 0.0 109.112 179.869 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 45.2 mmtm . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 108.984 -0.747 . . . . 0.0 108.984 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 19.1 ptmt -59.97 -40.03 87.67 Favored 'General case' 0 N--CA 1.488 1.471 0 O-C-N 121.095 -1.003 . . . . 0.0 109.457 179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.88 -40.37 79.27 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.179 -0.951 . . . . 0.0 108.749 179.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.7 t -62.67 -40.02 86.89 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.484 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 178.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -61.96 -31.49 71.83 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.608 -0.683 . . . . 0.0 109.467 179.641 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.8 t-80 -59.48 -40.01 85.57 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 120.801 -1.187 . . . . 0.0 108.888 -179.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 23.2 ttpp -60.04 -48.91 79.76 Favored 'General case' 0 C--N 1.302 -1.498 0 O-C-N 121.194 -0.941 . . . . 0.0 109.427 179.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.574 HD13 HD11 ' A' ' 57' ' ' ILE . 34.8 tp -60.0 -50.13 74.95 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 121.276 -0.89 . . . . 0.0 110.915 -178.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -62.74 -39.98 95.81 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.273 -0.892 . . . . 0.0 110.136 -178.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 42.0 t -62.74 -41.35 99.14 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.077 -1.015 . . . . 0.0 110.992 -178.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? -100.89 0.12 37.87 Favored 'General case' 0 N--CA 1.503 2.208 0 O-C-N 121.053 -1.029 . . . . 0.0 110.889 -179.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.493 1.699 0 O-C-N 120.8 -1.188 . . . . 0.0 108.879 -179.811 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 45.4 mmtm . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 108.897 -0.779 . . . . 0.0 108.897 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 18.8 ptmt -60.06 -39.99 87.93 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.154 -0.966 . . . . 0.0 109.373 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -68.71 -40.52 79.92 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.257 -0.902 . . . . 0.0 108.758 179.351 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -62.62 -39.99 86.68 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.427 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.0 OUTLIER -62.04 -31.27 71.65 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.557 -0.714 . . . . 0.0 109.494 179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 50.0 t-80 -59.61 -40.01 86.12 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 120.787 -1.196 . . . . 0.0 108.778 -179.017 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.404 ' HZ1' ' CB ' ' B' ' 56' ' ' LYS . 23.2 ttpp -59.96 -48.92 79.74 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.145 -0.972 . . . . 0.0 109.453 179.054 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.531 HD13 HD11 ' B' ' 57' ' ' ILE . 33.9 tp -60.08 -50.15 74.83 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 121.31 -0.868 . . . . 0.0 110.899 -178.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -62.65 -39.95 95.47 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.31 -0.869 . . . . 0.0 110.189 -178.795 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 47.1 t -63.11 -41.05 99.28 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.197 -0.94 . . . . 0.0 110.896 -178.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 9.1 ptmm? -100.86 0.08 37.88 Favored 'General case' 0 N--CA 1.503 2.197 0 O-C-N 121.017 -1.052 . . . . 0.0 110.996 -179.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 63.7 tt0 . . . . . 0 N--CA 1.494 1.729 0 O-C-N 120.78 -1.2 . . . . 0.0 108.888 -179.694 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.883 0 N-CA-C 119.721 2.648 . . . . 0.0 119.721 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.3 m -108.45 4.89 24.79 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.318 -1.107 . . . . 0.0 108.631 178.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.13 -56.93 15.54 Favored 'General case' 0 C--O 1.2 -1.5 0 O-C-N 121.305 -0.872 . . . . 0.0 110.783 -179.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.579 HD12 ' HB2' ' B' ' 40' ' ' GLU . 84.2 mt -58.2 -38.64 77.15 Favored 'General case' 0 N--CA 1.502 2.172 0 O-C-N 120.887 -1.133 . . . . 0.0 110.296 -177.58 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -54.62 -45.36 73.67 Favored 'General case' 0 C--N 1.299 -1.595 0 O-C-N 120.962 -1.086 . . . . 0.0 108.287 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 33.6 p -70.0 -36.38 75.1 Favored 'General case' 0 C--N 1.3 -1.576 0 O-C-N 121.487 -0.758 . . . . 0.0 110.052 179.246 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.418 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -51.46 -51.78 52.03 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.334 -0.854 . . . . 0.0 109.872 -178.305 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 10.0 ttt -60.04 -36.16 76.7 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.199 -0.938 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 95.0 mt-10 -64.45 -39.94 94.78 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.211 -0.931 . . . . 0.0 110.464 -179.196 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.418 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 15.0 p -68.25 -46.74 69.64 Favored 'General case' 0 C--N 1.301 -1.508 0 CA-C-O 121.83 0.824 . . . . 0.0 110.553 -178.69 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 85.4 mt -60.04 -45.31 93.23 Favored 'General case' 0 N--CA 1.494 1.767 0 N-CA-C 112.7 0.63 . . . . 0.0 112.7 -178.084 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.6 mt -80.7 -36.34 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.754 -1.216 . . . . 0.0 112.274 -177.018 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 49.3 t-20 -59.98 -40.22 88.35 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.197 -1.564 . . . . 0.0 109.911 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.1 p -80.62 -34.69 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.357 -0.839 . . . . 0.0 110.682 -179.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 63.9 t80 -59.98 -50.0 75.47 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.347 -0.846 . . . . 0.0 112.446 -178.326 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.545 ' ND1' ' N ' ' A' ' 17' ' ' ALA . 0.0 OUTLIER -82.56 -21.07 35.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.514 -0.742 . . . . 0.0 111.675 -177.317 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.545 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -68.86 -59.96 2.71 Favored 'General case' 0 C--N 1.302 -1.467 0 O-C-N 120.569 -1.332 . . . . 0.0 110.47 -178.77 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 46.9 t-80 -71.66 -36.36 70.63 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 120.728 -1.232 . . . . 0.0 111.138 -178.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.9 t -57.53 -20.03 28.95 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.955 -1.091 . . . . 0.0 111.328 -178.295 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.74 19.94 12.16 Favored Glycine 0 N--CA 1.499 2.863 0 N-CA-C 110.022 -1.231 . . . . 0.0 110.022 -179.349 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.475 ' HB2' ' HZ2' ' A' ' 21' ' ' LYS . 1.5 tppp? -72.02 -46.9 55.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 120.902 -1.352 . . . . 0.0 108.858 179.314 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 17.4 pt-20 -145.84 51.35 1.17 Allowed 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.683 -0.636 . . . . 0.0 109.666 179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.97 4.44 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 119.776 -1.202 . . . . 0.0 110.645 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.511 ' O ' ' C ' ' A' ' 25' ' ' LYS . 86.7 m-20 -91.54 162.55 14.49 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.66 -0.906 . . . . 0.0 109.31 -179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.511 ' C ' ' O ' ' A' ' 24' ' ' ASP . 33.3 mtmm -22.39 -90.44 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.456 0 C-N-CA 122.138 0.175 . . . . 0.0 111.316 -179.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -130.48 80.84 1.97 Allowed 'General case' 0 N--CA 1.503 2.193 0 O-C-N 121.04 -1.037 . . . . 0.0 110.234 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.4 145.65 27.07 Favored 'General case' 0 N--CA 1.49 1.55 0 N-CA-C 107.225 -1.398 . . . . 0.0 107.225 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.491 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.1 mm? -97.01 152.11 19.06 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.77 -1.206 . . . . 0.0 110.104 -179.632 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.475 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 23.4 t -129.21 164.07 24.23 Favored 'General case' 0 C--N 1.294 -1.814 0 N-CA-C 106.496 -1.668 . . . . 0.0 106.496 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 50.1 tttm -49.44 -42.3 42.48 Favored 'General case' 0 C--N 1.296 -1.723 0 C-N-CA 118.49 -1.284 . . . . 0.0 110.489 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -71.59 -31.5 67.02 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.838 -1.164 . . . . 0.0 111.968 -179.344 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.475 ' HB2' ' H ' ' A' ' 29' ' ' SER . 98.7 mt-10 -74.32 -37.26 63.64 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 120.262 -1.524 . . . . 0.0 108.269 178.642 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 9.1 tp -60.09 -51.57 69.06 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.864 -0.522 . . . . 0.0 112.088 -179.708 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -61.96 -41.19 97.72 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.814 -1.179 . . . . 0.0 112.52 -177.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -71.08 -32.13 68.71 Favored 'General case' 0 C--N 1.299 -1.619 0 O-C-N 120.944 -1.097 . . . . 0.0 109.895 -179.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.466 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.1 tp -64.61 -40.06 94.83 Favored 'General case' 0 C--N 1.291 -1.957 0 O-C-N 121.606 -0.684 . . . . 0.0 112.751 -177.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 82.9 mt -85.89 -33.75 21.15 Favored 'General case' 0 N--CA 1.508 2.467 0 O-C-N 120.316 -1.49 . . . . 0.0 113.215 -178.311 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -69.98 -19.63 63.34 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.627 -1.295 . . . . 0.0 109.782 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 95.5 m -77.77 -67.25 0.74 Allowed 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.613 -0.679 . . . . 0.0 112.119 -178.43 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.645 ' HB2' HD12 ' B' ' 4' ' ' LEU . 26.4 mp0 -86.89 -48.25 8.32 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 120.367 -1.458 . . . . 0.0 111.144 -177.464 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.4 mt -91.87 66.89 5.18 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.828 -1.17 . . . . 0.0 108.253 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 69.0 m -79.9 -23.55 41.75 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 116.094 -0.503 . . . . 0.0 112.119 -178.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m -108.15 4.06 24.46 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 121.053 -1.029 . . . . 0.0 111.675 -177.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 80.6 m-85 -119.94 -80.7 0.62 Allowed 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.043 -1.035 . . . . 0.0 108.91 179.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.565 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -70.89 137.45 49.34 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 179.127 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.53 151.77 34.25 Favored 'General case' 0 C--N 1.298 -1.658 0 N-CA-C 108.25 -1.018 . . . . 0.0 108.25 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 32.9 m -155.24 -34.61 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.57 0 N-CA-C 107.734 -1.21 . . . . 0.0 107.734 178.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.75 -17.96 24.61 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 120.927 -1.108 . . . . 0.0 110.466 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.8 mttt -68.24 -39.98 82.14 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.245 -0.91 . . . . 0.0 108.924 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 84.6 m-20 -129.96 116.8 19.12 Favored 'General case' 0 N--CA 1.496 1.871 0 CA-C-O 121.341 0.591 . . . . 0.0 109.909 -179.473 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.26 -30.79 71.69 Favored 'General case' 0 C--N 1.302 -1.477 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.611 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 89.5 m-20 -60.43 -39.99 89.47 Favored 'General case' 0 C--N 1.302 -1.488 0 O-C-N 121.489 -0.757 . . . . 0.0 109.002 178.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.414 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -60.0 -40.01 87.75 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.237 -0.914 . . . . 0.0 110.655 179.565 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 27.2 t -69.98 -56.44 11.31 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.677 0 O-C-N 121.294 -0.879 . . . . 0.0 112.594 -177.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.15 -40.1 95.43 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.592 -1.317 . . . . 0.0 111.54 -176.304 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.6 mptp? -72.37 -39.91 67.68 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.007 -1.058 . . . . 0.0 111.267 -178.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.574 HD11 HD13 ' C' ' 8' ' ' LEU . 96.5 mt -74.75 -53.67 16.14 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.428 0 O-C-N 121.05 -1.031 . . . . 0.0 109.867 -177.624 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.9 tmt? -60.49 -46.09 91.39 Favored 'General case' 0 C--N 1.292 -1.934 0 CA-C-N 116.03 -0.532 . . . . 0.0 112.166 -178.232 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 62.9 mttp -68.37 -38.27 81.24 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.94 -1.1 . . . . 0.0 109.811 -178.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 78.6 mm-40 -89.01 -17.04 30.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.236 -0.915 . . . . 0.0 109.832 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.517 ' N ' ' O ' ' A' ' 57' ' ' ILE . 56.8 tp -82.23 -13.61 56.81 Favored 'General case' 0 N--CA 1.504 2.248 0 N-CA-C 105.482 -2.044 . . . . 0.0 105.482 179.197 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.595 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.7 m-20 -96.78 34.19 1.73 Allowed 'General case' 0 C--N 1.307 -1.267 0 N-CA-C 104.453 -2.425 . . . . 0.0 104.453 175.543 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.464 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.6 pt-20 -36.08 -20.66 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.915 0 CA-C-N 111.984 -2.371 . . . . 0.0 111.275 179.699 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.568 ' N ' ' O ' ' A' ' 62' ' ' ASP . 83.5 m-20 -84.35 0.68 48.32 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.568 -1.332 . . . . 0.0 107.909 179.334 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.595 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 74.44 29.54 61.73 Favored Glycine 0 N--CA 1.478 1.475 0 N-CA-C 109.537 -1.425 . . . . 0.0 109.537 178.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.633 ' C ' ' H ' ' A' ' 68' ' ' GLU . 19.9 p-10 -109.2 110.95 22.29 Favored 'General case' 0 N--CA 1.483 1.191 0 N-CA-C 104.901 -2.259 . . . . 0.0 104.901 178.418 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.2 12.81 0.04 OUTLIER Glycine 0 N--CA 1.493 2.447 0 O-C-N 119.504 -1.997 . . . . 0.0 111.018 -178.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.633 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.7 mt-10 -120.01 139.61 52.23 Favored 'General case' 0 C--N 1.313 -0.993 0 N-CA-C 106.668 -1.605 . . . . 0.0 106.668 178.389 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 85.0 t -101.16 127.96 53.88 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.792 0 CA-C-O 122.156 0.979 . . . . 0.0 110.533 -177.305 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -77.2 159.31 29.78 Favored 'General case' 0 C--N 1.299 -1.596 0 N-CA-C 108.469 -0.938 . . . . 0.0 108.469 179.427 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.553 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.9 p90 -59.96 -36.33 76.89 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.127 -0.983 . . . . 0.0 110.135 -179.327 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.553 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.3 tt0 -62.33 -40.14 95.38 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.771 -1.206 . . . . 0.0 110.484 -178.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -70.12 -42.14 73.01 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.872 -1.143 . . . . 0.0 111.201 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.729 ' O ' HG22 ' A' ' 78' ' ' VAL . 43.7 t80 -64.5 -50.11 68.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.28 -0.888 . . . . 0.0 111.989 -177.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -63.32 -35.8 73.62 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.783 0 O-C-N 121.877 -0.514 . . . . 0.0 111.77 -177.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.2 t -70.07 -58.98 4.02 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.699 0 O-C-N 121.051 -1.031 . . . . 0.0 111.577 -178.131 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.5 tt -64.74 -43.63 92.73 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.043 -1.036 . . . . 0.0 113.236 -176.329 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.729 HG22 ' O ' ' A' ' 74' ' ' PHE . 32.6 m -61.45 -35.33 65.99 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.815 0 O-C-N 120.713 -1.242 . . . . 0.0 110.967 -178.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.453 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -76.14 -27.44 57.04 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.141 -0.975 . . . . 0.0 109.627 -179.607 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.42 ' O ' ' HB3' ' A' ' 84' ' ' ALA . . . -61.53 -30.29 70.54 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.002 -1.061 . . . . 0.0 109.445 179.472 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 87.3 mt -91.69 -24.07 19.6 Favored 'General case' 0 N--CA 1.497 1.916 0 O-C-N 121.148 -0.97 . . . . 0.0 109.877 -179.333 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -65.23 -53.44 44.45 Favored 'General case' 0 C--N 1.298 -1.649 0 C-N-CA 119.113 -1.035 . . . . 0.0 109.76 -179.059 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.459 ' N ' ' CG2' ' A' ' 82' ' ' THR . 3.6 m -82.3 -37.49 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 O-C-N 120.734 -1.229 . . . . 0.0 111.05 -179.682 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.42 ' HB3' ' O ' ' A' ' 80' ' ' ALA . . . -65.93 -40.05 91.05 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.959 -1.088 . . . . 0.0 110.71 -178.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 29.2 t -71.42 -39.02 71.35 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.258 -0.902 . . . . 0.0 110.119 -179.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.6 t-20 -60.01 -46.16 90.39 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.387 -0.82 . . . . 0.0 110.7 -178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 46.6 t30 -80.0 -24.03 41.13 Favored 'General case' 0 C--N 1.299 -1.605 0 O-C-N 121.107 -0.995 . . . . 0.0 110.9 -179.194 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 66.0 t80 -59.99 -49.11 78.95 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.961 -1.087 . . . . 0.0 111.029 -177.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.56 3.24 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.406 -1.434 . . . . 0.0 111.786 -179.777 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -59.98 -41.16 91.39 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.629 -1.294 . . . . 0.0 109.854 -179.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 49.7 tp10 -84.78 -20.34 31.17 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.225 -0.922 . . . . 0.0 109.73 -179.193 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -102.23 16.82 25.01 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.243 -0.91 . . . . 0.0 109.861 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 94.7 p . . . . . 0 N--CA 1.489 1.496 0 O-C-N 120.818 -1.176 . . . . 0.0 109.796 -179.493 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.837 0 N-CA-C 119.774 2.669 . . . . 0.0 119.774 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 58.1 m -108.23 4.91 25.22 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.409 -1.054 . . . . 0.0 108.644 178.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.422 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.9 mt-10 -59.95 -56.86 16.48 Favored 'General case' 0 C--O 1.201 -1.482 0 O-C-N 121.206 -0.934 . . . . 0.0 110.705 -179.082 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.645 HD12 ' HB2' ' A' ' 40' ' ' GLU . 84.6 mt -58.32 -38.7 77.64 Favored 'General case' 0 N--CA 1.502 2.149 0 O-C-N 120.82 -1.175 . . . . 0.0 110.318 -177.491 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 85.8 tt0 -54.41 -45.42 72.94 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.986 -1.071 . . . . 0.0 108.329 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.422 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 32.2 p -70.08 -35.24 74.06 Favored 'General case' 0 C--N 1.298 -1.658 0 O-C-N 121.456 -0.777 . . . . 0.0 110.022 179.162 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -53.13 -50.87 63.61 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.204 -0.935 . . . . 0.0 109.717 -176.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 9.7 ttt -59.93 -36.17 76.49 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.4 -0.813 . . . . 0.0 109.662 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 94.9 mt-10 -64.47 -40.04 94.95 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.203 -0.936 . . . . 0.0 110.321 -179.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . . . . . . . . . 16.0 p -68.29 -46.47 70.25 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.385 -0.822 . . . . 0.0 110.635 -178.649 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 84.5 mt -60.15 -45.2 93.88 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 112.825 0.676 . . . . 0.0 112.825 -178.146 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 43.2 mt -80.7 -36.54 15.79 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.995 0 O-C-N 120.683 -1.261 . . . . 0.0 112.091 -177.031 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 48.8 t-20 -60.01 -40.18 88.4 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 120.225 -1.547 . . . . 0.0 109.875 -179.496 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.401 HG11 HD21 ' A' ' 4' ' ' LEU . 9.0 p -80.59 -34.39 14.31 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.868 0 O-C-N 121.333 -0.854 . . . . 0.0 110.739 -179.558 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 63.6 t80 -60.06 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.424 -0.798 . . . . 0.0 112.399 -178.401 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.539 ' ND1' ' N ' ' B' ' 17' ' ' ALA . 0.0 OUTLIER -82.7 -20.85 35.31 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.503 -0.748 . . . . 0.0 111.769 -177.305 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.539 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -69.12 -59.89 2.72 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 120.613 -1.305 . . . . 0.0 110.4 -178.854 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -71.81 -36.39 70.24 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.756 -1.215 . . . . 0.0 111.059 -178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 6.8 t -57.26 -19.9 24.45 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.966 -1.084 . . . . 0.0 111.387 -178.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -116.83 19.55 12.22 Favored Glycine 0 N--CA 1.499 2.895 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 -179.274 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . 0.505 ' HB2' ' HZ2' ' B' ' 21' ' ' LYS . 1.5 tppp? -71.56 -47.0 57.82 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.839 -1.389 . . . . 0.0 108.864 179.34 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 17.5 pt-20 -145.86 51.37 1.17 Allowed 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.743 -0.598 . . . . 0.0 109.731 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.02 -146.54 4.36 Favored Glycine 0 N--CA 1.497 2.702 0 C-N-CA 119.682 -1.247 . . . . 0.0 110.639 -179.582 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.512 ' O ' ' C ' ' B' ' 25' ' ' LYS . 86.8 m-20 -91.8 162.83 14.28 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.786 -0.832 . . . . 0.0 109.297 -179.68 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.512 ' C ' ' O ' ' B' ' 24' ' ' ASP . 33.2 mtmm -22.83 -90.2 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.432 0 O-C-N 122.38 -0.2 . . . . 0.0 111.332 -179.112 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 54.5 m-85 -130.59 81.04 1.98 Allowed 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.092 -1.005 . . . . 0.0 110.206 179.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.6 tppt? -149.46 145.88 27.14 Favored 'General case' 0 N--CA 1.49 1.536 0 N-CA-C 107.198 -1.408 . . . . 0.0 107.198 178.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.494 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.35 151.93 19.42 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.879 -1.138 . . . . 0.0 110.103 -179.604 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 26.7 t -129.2 163.64 25.14 Favored 'General case' 0 C--N 1.293 -1.857 0 N-CA-C 106.632 -1.618 . . . . 0.0 106.632 179.149 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 48.3 tttm -49.08 -42.02 37.36 Favored 'General case' 0 C--N 1.295 -1.79 0 C-N-CA 118.59 -1.244 . . . . 0.0 110.557 -179.568 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 87.4 tttt -72.7 -30.25 64.07 Favored 'General case' 0 N--CA 1.497 1.887 0 O-C-N 120.721 -1.237 . . . . 0.0 111.789 -179.239 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.47 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.4 mt-10 -74.84 -37.13 62.33 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.191 -1.568 . . . . 0.0 108.24 178.258 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 11.1 tp -60.06 -51.86 67.83 Favored 'General case' 0 N--CA 1.496 1.83 0 CA-C-O 121.317 0.58 . . . . 0.0 112.037 -179.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -61.71 -41.25 97.35 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.699 -1.251 . . . . 0.0 112.468 -177.713 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 11.4 t0 -71.15 -31.96 68.36 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 120.974 -1.079 . . . . 0.0 109.864 -179.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.463 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.8 tp -64.74 -40.06 94.68 Favored 'General case' 0 C--N 1.291 -1.978 0 N-CA-C 112.924 0.713 . . . . 0.0 112.924 -177.357 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 83.7 mt -85.75 -33.82 21.35 Favored 'General case' 0 N--CA 1.508 2.46 0 O-C-N 120.244 -1.535 . . . . 0.0 113.264 -178.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 13.3 pt20 -69.96 -19.78 63.35 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 120.677 -1.264 . . . . 0.0 109.859 -178.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 95.3 m -77.53 -67.28 0.74 Allowed 'General case' 0 C--N 1.301 -1.516 0 O-C-N 121.761 -0.587 . . . . 0.0 112.152 -178.49 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.579 ' HB2' HD12 ' A' ' 4' ' ' LEU . 25.9 mp0 -87.11 -47.98 8.45 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.367 -1.458 . . . . 0.0 111.23 -177.541 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.2 mt -91.9 66.83 5.15 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 120.765 -1.209 . . . . 0.0 108.205 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 70.2 m -80.01 -23.32 41.6 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-N 116.112 -0.495 . . . . 0.0 112.208 -178.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 67.7 m -108.49 4.48 24.26 Favored 'General case' 0 N--CA 1.505 2.309 0 O-C-N 121.01 -1.056 . . . . 0.0 111.512 -178.132 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 79.5 m-85 -120.02 -80.71 0.62 Allowed 'General case' 0 N--CA 1.502 2.126 0 O-C-N 121.027 -1.045 . . . . 0.0 108.776 179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.558 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.3 mm? -71.03 137.61 49.15 Favored 'General case' 0 C--N 1.303 -1.43 0 C-N-CA 119.237 -0.985 . . . . 0.0 108.407 179.065 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -115.57 151.69 34.44 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.524 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 31.4 m -155.11 -34.84 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.58 0 N-CA-C 107.636 -1.246 . . . . 0.0 107.636 178.661 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -91.52 -18.08 24.68 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 120.869 -1.144 . . . . 0.0 110.487 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 50.4 mttt -68.2 -40.0 82.3 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.189 -0.945 . . . . 0.0 109.067 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 84.7 m-20 -130.04 116.46 18.58 Favored 'General case' 0 N--CA 1.497 1.88 0 CA-C-O 121.286 0.565 . . . . 0.0 109.802 -179.41 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -65.46 -29.69 70.39 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.685 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 87.5 m-20 -61.2 -40.0 92.33 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 108.724 -0.843 . . . . 0.0 108.724 179.588 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.456 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -60.63 -37.36 81.21 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.376 -0.827 . . . . 0.0 111.172 179.757 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.524 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 35.4 t -72.16 -56.0 11.49 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.625 0 O-C-N 121.178 -0.951 . . . . 0.0 112.589 -178.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -64.31 -39.97 94.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 120.767 -1.208 . . . . 0.0 111.567 -176.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.404 ' CB ' ' HZ1' ' D' ' 7' ' ' LYS . 3.5 mptp? -72.46 -40.03 67.3 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.097 -1.002 . . . . 0.0 111.266 -178.625 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.531 HD11 HD13 ' D' ' 8' ' ' LEU . 96.6 mt -74.7 -53.45 16.7 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.384 0 O-C-N 121.122 -0.986 . . . . 0.0 109.968 -177.732 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.46 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.9 tmt? -60.5 -46.0 91.74 Favored 'General case' 0 C--N 1.291 -1.938 0 CA-C-N 116.049 -0.523 . . . . 0.0 112.188 -178.169 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.4 mttp -68.69 -37.96 79.97 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.924 -1.11 . . . . 0.0 109.885 -178.581 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -89.19 -17.07 29.86 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.093 -1.004 . . . . 0.0 109.837 -179.374 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' B' ' 57' ' ' ILE . 56.4 tp -82.18 -13.47 57.1 Favored 'General case' 0 N--CA 1.504 2.244 0 N-CA-C 105.495 -2.039 . . . . 0.0 105.495 179.071 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.638 ' O ' ' N ' ' B' ' 65' ' ' GLY . 5.6 m-20 -96.91 34.33 1.73 Allowed 'General case' 0 C--O 1.204 -1.334 0 N-CA-C 104.373 -2.454 . . . . 0.0 104.373 175.572 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.481 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.6 pt-20 -36.16 -20.69 0.01 OUTLIER 'General case' 0 C--N 1.292 -1.927 0 CA-C-N 111.862 -2.426 . . . . 0.0 111.289 179.716 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.565 ' N ' ' O ' ' B' ' 62' ' ' ASP . 83.7 m-20 -84.33 0.71 48.18 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.599 -1.313 . . . . 0.0 107.987 179.283 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.638 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 74.39 29.28 62.23 Favored Glycine 0 C--N 1.299 -1.527 0 N-CA-C 109.548 -1.421 . . . . 0.0 109.548 178.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.623 ' C ' ' H ' ' B' ' 68' ' ' GLU . 20.0 p-10 -108.77 110.98 22.49 Favored 'General case' 0 N--CA 1.482 1.133 0 N-CA-C 104.852 -2.277 . . . . 0.0 104.852 178.529 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.13 12.71 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 O-C-N 119.493 -2.004 . . . . 0.0 111.002 -178.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.623 ' H ' ' C ' ' B' ' 66' ' ' ASP . 95.6 mt-10 -119.95 140.03 51.55 Favored 'General case' 0 N--CA 1.479 0.985 0 N-CA-C 106.641 -1.615 . . . . 0.0 106.641 178.416 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 93.7 t -100.95 127.92 53.65 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.998 0 CA-C-O 122.132 0.968 . . . . 0.0 110.624 -177.341 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -77.08 159.43 29.83 Favored 'General case' 0 C--N 1.3 -1.555 0 N-CA-C 108.447 -0.945 . . . . 0.0 108.447 179.515 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.542 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 47.9 p90 -59.97 -36.4 77.07 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.174 -0.954 . . . . 0.0 110.204 -179.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.542 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.4 tt0 -62.4 -40.01 95.12 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.784 -1.198 . . . . 0.0 110.472 -178.708 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -70.11 -42.13 73.06 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 120.841 -1.162 . . . . 0.0 111.335 -179.327 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.713 ' O ' HG22 ' B' ' 78' ' ' VAL . 45.1 t80 -64.57 -50.16 68.35 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 121.356 -0.84 . . . . 0.0 112.044 -177.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -63.1 -36.14 74.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.753 0 O-C-N 121.863 -0.523 . . . . 0.0 111.704 -177.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.7 t -69.96 -59.0 3.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.031 -1.043 . . . . 0.0 111.531 -178.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.6 tt -64.57 -43.54 93.56 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.122 -0.986 . . . . 0.0 113.159 -176.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.713 HG22 ' O ' ' B' ' 74' ' ' PHE . 30.1 m -62.16 -34.45 63.74 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.782 0 O-C-N 120.707 -1.246 . . . . 0.0 110.988 -177.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.425 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -76.4 -27.52 56.35 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.061 -1.024 . . . . 0.0 109.602 -179.789 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.421 ' O ' ' HB3' ' B' ' 84' ' ' ALA . . . -64.02 -23.69 67.43 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.893 -1.129 . . . . 0.0 109.988 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 89.5 mt -96.39 -24.42 16.16 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.135 -0.978 . . . . 0.0 109.426 179.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -65.23 -53.27 46.99 Favored 'General case' 0 C--N 1.296 -1.734 0 C-N-CA 119.168 -1.013 . . . . 0.0 109.886 -179.02 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' B' ' 82' ' ' THR . 4.1 m -82.63 -37.61 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.009 0 O-C-N 120.838 -1.164 . . . . 0.0 110.977 -179.768 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.421 ' HB3' ' O ' ' B' ' 80' ' ' ALA . . . -65.91 -39.82 90.92 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.987 -1.071 . . . . 0.0 110.717 -178.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 25.1 t -71.41 -39.17 71.29 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.177 -0.952 . . . . 0.0 110.227 -179.61 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -60.0 -46.0 90.9 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.424 -0.798 . . . . 0.0 110.787 -178.468 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -79.95 -24.06 41.25 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.128 -0.983 . . . . 0.0 110.93 -179.371 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 65.7 t80 -59.89 -49.2 78.64 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.004 -1.06 . . . . 0.0 111.067 -177.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -165.64 3.29 0.03 OUTLIER 'General case' 0 N--CA 1.496 1.85 0 O-C-N 120.42 -1.425 . . . . 0.0 111.85 -179.766 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -60.09 -41.1 91.78 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 120.682 -1.261 . . . . 0.0 109.85 -179.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 50.1 tp10 -84.7 -20.46 31.14 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.176 -0.953 . . . . 0.0 109.747 -179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -102.08 16.72 25.19 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.191 -0.943 . . . . 0.0 109.97 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 N--CA 1.49 1.548 0 O-C-N 120.92 -1.112 . . . . 0.0 109.773 -179.455 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.557 ' C ' ' H ' ' C' ' 3' ' ' ALA . 37.4 mmtm . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.189 -0.671 . . . . 0.0 109.189 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 53.0 mtpt 60.14 -28.72 0.04 OUTLIER 'General case' 0 N--CA 1.502 2.13 0 O-C-N 121.979 -0.451 . . . . 0.0 111.377 179.745 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . 0.557 ' H ' ' C ' ' C' ' 1' ' ' LYS . . . -68.26 -42.62 79.35 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.596 -1.315 . . . . 0.0 109.833 -179.71 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -67.41 -39.98 83.72 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 121.205 -0.935 . . . . 0.0 109.077 179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.17 -37.91 81.59 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.529 -0.732 . . . . 0.0 109.951 -179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 84.1 t60 -60.0 -45.95 91.06 Favored 'General case' 0 C--N 1.301 -1.53 0 O-C-N 120.717 -1.24 . . . . 0.0 108.695 -179.039 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 33.3 ttpt -65.03 -42.19 94.55 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.22 -0.925 . . . . 0.0 109.797 178.71 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.2 tp -68.09 -53.11 27.89 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.426 -0.796 . . . . 0.0 111.245 -178.653 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 41.7 mt -69.85 -40.01 76.05 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.972 -1.08 . . . . 0.0 110.466 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 63.4 m -60.09 -46.5 89.37 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.817 -1.177 . . . . 0.0 110.193 -179.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 29.6 ttmt -69.53 -40.06 77.14 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.11 -0.994 . . . . 0.0 109.106 179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 67.4 tp60 . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 118.042 -0.98 . . . . 0.0 109.313 -179.975 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.564 ' C ' ' H ' ' D' ' 3' ' ' ALA . 39.6 mmtm . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.253 -0.647 . . . . 0.0 109.253 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 52.8 mtpt 60.06 -28.43 0.04 OUTLIER 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.97 -0.456 . . . . 0.0 111.445 179.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . 0.564 ' H ' ' C ' ' D' ' 1' ' ' LYS . . . -68.51 -42.67 78.21 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.659 -1.275 . . . . 0.0 109.813 -179.627 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.45 -39.99 83.64 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.669 0 O-C-N 121.306 -0.871 . . . . 0.0 108.809 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -60.12 -38.03 81.8 Favored 'General case' 0 C--N 1.303 -1.429 0 O-C-N 121.428 -0.795 . . . . 0.0 109.962 -179.632 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 83.9 t60 -59.75 -46.0 90.49 Favored 'General case' 0 C--N 1.302 -1.481 0 O-C-N 120.714 -1.241 . . . . 0.0 108.74 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 32.9 ttpt -64.9 -42.28 94.9 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.145 -0.972 . . . . 0.0 109.875 178.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 62.8 tp -68.28 -52.8 29.73 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.374 -0.829 . . . . 0.0 111.274 -178.651 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 44.5 mt -69.89 -40.07 75.86 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.826 -1.171 . . . . 0.0 110.454 -178.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 58.2 m -60.06 -46.51 89.32 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.841 -1.162 . . . . 0.0 110.248 -179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 29.7 ttmt -69.68 -39.88 76.72 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.036 -1.04 . . . . 0.0 109.079 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 67.5 tp60 . . . . . 0 N--CA 1.489 1.512 0 CA-C-O 118.03 -0.986 . . . . 0.0 109.343 179.864 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.44 ' O ' ' OE1' ' A' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.891 0 N-CA-C 119.591 2.596 . . . . 0.0 119.591 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.0 m -107.45 -79.25 0.58 Allowed 'General case' 0 N--CA 1.494 1.74 0 O-C-N 121.382 -1.069 . . . . 0.0 108.668 178.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.415 ' O ' ' OG1' ' A' ' 6' ' ' THR . 95.9 mt-10 -64.3 -51.02 65.53 Favored 'General case' 0 C--N 1.3 -1.58 0 CA-C-O 121.643 0.735 . . . . 0.0 110.041 -179.76 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 HD21 HD12 ' B' ' 41' ' ' LEU . 25.5 tp -60.16 -38.28 82.69 Favored 'General case' 0 N--CA 1.494 1.769 0 C-N-CA 120.088 -0.645 . . . . 0.0 109.725 -177.355 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . 0.44 ' OE1' ' O ' ' A' ' 1' ' ' GLY . 88.9 tt0 -56.78 -46.42 81.53 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 122.223 1.011 . . . . 0.0 108.828 178.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.415 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 37.2 p -67.41 -35.05 78.5 Favored 'General case' 0 C--N 1.3 -1.558 0 O-C-N 121.62 -0.675 . . . . 0.0 110.457 -179.569 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.589 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -52.29 -54.93 25.18 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 121.349 -0.844 . . . . 0.0 110.942 -177.492 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.431 ' C ' ' SD ' ' A' ' 8' ' ' MET . 3.7 ppp? -59.87 -33.51 71.92 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.322 -1.486 . . . . 0.0 109.138 -179.638 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.3 tt0 -65.27 -35.12 80.05 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.416 -0.803 . . . . 0.0 110.28 179.398 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.587 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 21.1 p -73.67 -47.36 40.36 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.185 -0.947 . . . . 0.0 111.131 -178.477 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.415 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 70.7 mt -57.71 -41.23 81.33 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.322 -0.861 . . . . 0.0 111.069 -178.155 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 38.3 mt -79.11 -26.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.106 -0.996 . . . . 0.0 111.48 -177.189 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -61.99 -40.04 94.28 Favored 'General case' 0 C--N 1.298 -1.672 0 O-C-N 120.35 -1.469 . . . . 0.0 109.28 179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 m -79.8 -34.21 15.37 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.733 0 O-C-N 121.875 -0.516 . . . . 0.0 110.939 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' O ' ' OG ' ' A' ' 19' ' ' SER . 16.3 m-30 -60.06 -49.82 76.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.112 -0.992 . . . . 0.0 111.057 -179.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . 0.5 ' C ' ' ND1' ' A' ' 16' ' ' HIS . 1.5 p80 -81.03 -20.11 42.42 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 120.908 -1.12 . . . . 0.0 112.093 -177.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . 0.479 ' N ' ' ND1' ' A' ' 16' ' ' HIS . . . -74.04 -60.26 2.34 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.398 -1.439 . . . . 0.0 111.966 -177.561 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.53 ' NE2' ' O ' ' A' ' 32' ' ' GLU . 2.0 p-80 -74.97 -38.86 61.57 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.152 -1.593 . . . . 0.0 110.676 -178.363 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.495 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 7.3 m -61.13 -12.64 13.07 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.095 -1.003 . . . . 0.0 110.208 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.58 15.63 62.9 Favored Glycine 0 N--CA 1.489 2.222 0 N-CA-C 109.737 -1.345 . . . . 0.0 109.737 -178.776 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -93.14 -71.11 0.67 Allowed 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.064 -1.257 . . . . 0.0 108.531 178.536 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 28.8 mt-10 -114.29 83.42 1.87 Allowed 'General case' 0 N--CA 1.498 1.947 0 CA-C-O 121.338 0.59 . . . . 0.0 109.638 -178.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 170.44 -154.79 23.75 Favored Glycine 0 N--CA 1.491 2.318 0 N-CA-C 109.711 -1.356 . . . . 0.0 109.711 179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -91.83 163.23 14.12 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.242 -1.152 . . . . 0.0 108.865 179.435 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -48.69 -27.56 2.97 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.291 -0.881 . . . . 0.0 110.627 -178.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.567 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 17.4 p90 -156.05 59.75 0.59 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.456 -1.402 . . . . 0.0 111.938 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.2 tppt? -141.0 142.28 34.27 Favored 'General case' 0 N--CA 1.5 2.065 0 N-CA-C 106.227 -1.768 . . . . 0.0 106.227 175.758 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.495 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 5.3 tp -98.92 150.92 21.43 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.788 -1.195 . . . . 0.0 110.149 -177.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 67.5 m -130.92 165.09 23.86 Favored 'General case' 0 N--CA 1.498 1.936 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 -179.14 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 66.6 tttt -53.22 -44.46 68.08 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.149 -0.97 . . . . 0.0 111.574 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.8 tttt -71.68 -27.29 62.94 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.621 -1.299 . . . . 0.0 110.834 -178.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.53 ' O ' ' NE2' ' A' ' 18' ' ' HIS . 99.1 mt-10 -75.83 -40.05 55.57 Favored 'General case' 0 C--N 1.299 -1.59 0 N-CA-C 108.198 -1.038 . . . . 0.0 108.198 178.585 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.699 ' C ' HD23 ' A' ' 33' ' ' LEU . 1.9 tt -60.03 -45.85 91.45 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.495 0.664 . . . . 0.0 111.33 179.429 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.656 ' N ' HD23 ' A' ' 33' ' ' LEU . 80.1 tttt -63.1 -40.0 96.36 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.406 -0.809 . . . . 0.0 112.301 -177.186 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 90.5 m-20 -75.74 -27.45 58.12 Favored 'General case' 0 N--CA 1.496 1.846 0 O-C-N 120.673 -1.267 . . . . 0.0 109.893 -179.626 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.562 HD23 ' CZ ' ' A' ' 74' ' ' PHE . 48.5 tp -68.11 -39.87 82.7 Favored 'General case' 0 C--N 1.291 -1.963 0 O-C-N 121.149 -0.969 . . . . 0.0 111.852 -178.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.467 HD21 ' CZ ' ' A' ' 74' ' ' PHE . 26.1 mt -83.53 -37.28 23.24 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.624 -1.297 . . . . 0.0 112.467 -177.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.497 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.1 pp0? -69.81 -33.22 72.05 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.78 -1.2 . . . . 0.0 109.832 -178.487 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.497 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 53.4 m -86.35 -65.07 1.05 Allowed 'General case' 0 N--CA 1.487 1.394 0 C-N-CA 119.825 -0.75 . . . . 0.0 112.058 -177.399 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.519 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 57.2 mp0 -69.66 -55.4 10.11 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.263 -0.898 . . . . 0.0 111.875 -177.373 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.633 HD13 HD22 ' A' ' 45' ' ' LEU . 1.8 mt -96.07 48.84 1.12 Allowed 'General case' 0 N--CA 1.502 2.172 0 CA-C-O 122.598 1.19 . . . . 0.0 108.105 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 78.3 p -65.77 -17.96 65.0 Favored 'General case' 0 N--CA 1.493 1.706 0 CA-C-N 115.297 -0.865 . . . . 0.0 112.209 -179.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.4 p -89.2 -8.47 53.51 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.795 -1.191 . . . . 0.0 113.382 -176.716 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -140.85 -59.81 0.5 Allowed 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.363 -1.461 . . . . 0.0 111.129 -178.521 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.633 HD22 HD13 ' A' ' 41' ' ' LEU . 2.6 mp -71.38 134.76 46.9 Favored 'General case' 0 C--N 1.302 -1.473 0 O-C-N 120.801 -1.187 . . . . 0.0 108.885 -179.057 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 80.8 m-20 -122.24 156.03 34.63 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 179.353 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.51 HG23 ' N ' ' A' ' 48' ' ' GLN . 27.3 m -158.37 -35.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.682 0 N-CA-C 108.298 -1.001 . . . . 0.0 108.298 -179.157 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.51 ' N ' HG23 ' A' ' 47' ' ' VAL . 13.1 pt20 -73.58 -45.57 52.44 Favored 'General case' 0 C--N 1.302 -1.497 0 C-N-CA 120.342 -0.543 . . . . 0.0 111.97 -177.595 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -70.06 -34.58 73.39 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.658 -1.276 . . . . 0.0 109.85 -179.249 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -108.83 97.78 7.37 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 121.494 -0.754 . . . . 0.0 110.233 -178.768 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.59 -33.29 70.91 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.219 -0.925 . . . . 0.0 108.999 178.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -60.5 -40.07 90.02 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.412 -0.805 . . . . 0.0 109.051 179.369 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.49 -40.09 93.3 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.622 -0.674 . . . . 0.0 110.852 179.338 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.406 HG22 ' HB ' ' A' ' 47' ' ' VAL . 46.9 t -67.47 -52.86 37.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.673 0 O-C-N 121.277 -0.889 . . . . 0.0 112.011 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 -60.27 -39.71 87.81 Favored 'General case' 0 C--N 1.289 -2.027 0 O-C-N 120.761 -1.212 . . . . 0.0 110.236 -178.288 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -69.25 -38.95 78.69 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.137 -0.977 . . . . 0.0 112.367 -177.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.553 ' O ' ' N ' ' A' ' 61' ' ' LEU . 0.9 OUTLIER -82.09 -51.64 14.7 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.086 0 O-C-N 120.167 -1.583 . . . . 0.0 109.929 -179.44 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.495 ' SD ' ' OD2' ' A' ' 62' ' ' ASP . 7.0 tpt -60.04 -49.74 76.47 Favored 'General case' 0 C--N 1.29 -1.98 0 O-C-N 121.194 -0.941 . . . . 0.0 112.071 -177.644 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 45.8 tptt -70.8 -36.39 72.97 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 120.544 -1.348 . . . . 0.0 109.932 -178.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -87.61 -15.92 35.96 Favored 'General case' 0 C--N 1.3 -1.585 0 O-C-N 121.502 -0.749 . . . . 0.0 110.007 -178.17 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.553 ' N ' ' O ' ' A' ' 57' ' ' ILE . 62.4 tp -83.45 -14.12 53.22 Favored 'General case' 0 N--CA 1.502 2.161 0 N-CA-C 105.79 -1.93 . . . . 0.0 105.79 178.691 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' A' ' 65' ' ' GLY . 14.9 m-20 -92.59 41.94 1.09 Allowed 'General case' 0 N--CA 1.487 1.394 0 N-CA-C 103.75 -2.685 . . . . 0.0 103.75 174.479 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.514 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.0 tp10 -42.2 -23.16 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.095 0 CA-C-N 111.817 -2.447 . . . . 0.0 110.194 -179.423 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 36.3 t30 -86.14 -11.12 53.45 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.725 -1.234 . . . . 0.0 108.153 179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.55 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 90.13 32.22 9.98 Favored Glycine 0 N--CA 1.485 1.938 0 N-CA-C 110.118 -1.193 . . . . 0.0 110.118 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.626 ' C ' ' H ' ' A' ' 68' ' ' GLU . 17.4 p-10 -110.46 113.76 26.65 Favored 'General case' 0 N--CA 1.486 1.344 0 N-CA-C 105.382 -2.081 . . . . 0.0 105.382 178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.69 9.54 0.06 OUTLIER Glycine 0 N--CA 1.494 2.546 0 O-C-N 119.438 -2.039 . . . . 0.0 110.599 -178.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.626 ' H ' ' C ' ' A' ' 66' ' ' ASP . 95.6 mt-10 -118.28 138.23 52.51 Favored 'General case' 0 C--N 1.313 -1.004 0 N-CA-C 106.967 -1.494 . . . . 0.0 106.967 178.704 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.6 t -108.53 130.07 61.88 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.747 0 N-CA-C 108.862 -0.792 . . . . 0.0 108.862 -178.143 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.594 ' O ' ' N ' ' A' ' 72' ' ' GLN . 66.1 t0 -87.77 126.41 34.99 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 120.939 -1.1 . . . . 0.0 109.107 -179.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.488 ' C ' ' O ' ' A' ' 70' ' ' ASP . 45.6 m-85 -23.59 -38.5 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.463 0 N-CA-C 112.39 0.515 . . . . 0.0 112.39 -179.725 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.594 ' N ' ' O ' ' A' ' 70' ' ' ASP . 0.6 OUTLIER -60.74 -41.38 95.27 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 120.364 -1.46 . . . . 0.0 110.094 179.65 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.484 ' N ' ' O ' ' A' ' 70' ' ' ASP . 98.6 mt-10 -70.98 -43.15 68.65 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.813 -1.179 . . . . 0.0 110.82 179.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.769 ' O ' HG22 ' A' ' 78' ' ' VAL . 17.4 t80 -61.03 -50.4 73.47 Favored 'General case' 0 N--CA 1.498 1.965 0 N-CA-C 112.515 0.561 . . . . 0.0 112.515 -178.308 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.474 HG13 ' N ' ' A' ' 76' ' ' VAL . 10.0 p -59.97 -40.03 81.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.85 0 CA-C-O 121.086 0.47 . . . . 0.0 111.615 -177.654 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.474 ' N ' HG13 ' A' ' 75' ' ' VAL . 26.4 t -61.44 -59.46 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.632 0 O-C-N 120.999 -1.063 . . . . 0.0 111.421 -178.442 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.4 tp -66.6 -50.74 62.05 Favored 'General case' 0 N--CA 1.499 1.997 0 O-C-N 120.573 -1.33 . . . . 0.0 112.665 -176.28 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.769 HG22 ' O ' ' A' ' 74' ' ' PHE . 16.6 m -59.98 -39.16 79.43 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.006 0 O-C-N 121.167 -0.958 . . . . 0.0 112.452 -177.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.553 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -70.36 -25.96 63.51 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.304 -0.873 . . . . 0.0 110.193 -178.207 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.29 -41.03 94.53 Favored 'General case' 0 C--N 1.298 -1.662 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 177.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 6.8 mp -65.02 -37.25 87.0 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.865 -0.522 . . . . 0.0 110.113 179.135 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -60.11 -52.64 64.47 Favored 'General case' 0 N--CA 1.499 1.978 0 O-C-N 120.971 -1.08 . . . . 0.0 110.738 -177.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.7 t -68.07 -39.36 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.88 0 O-C-N 121.222 -0.924 . . . . 0.0 110.651 -179.404 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -40.04 87.93 Favored 'General case' 0 C--N 1.291 -1.942 0 CA-C-O 121.454 0.645 . . . . 0.0 110.462 -177.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 68.2 m -60.06 -40.03 88.07 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 121.296 -0.878 . . . . 0.0 109.37 179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.12 -39.94 87.98 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.34 -0.85 . . . . 0.0 110.552 -179.309 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.36 -40.79 92.02 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.785 -1.197 . . . . 0.0 110.847 -179.379 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 82.7 m-85 -80.02 -17.15 53.55 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.965 -1.084 . . . . 0.0 109.37 -179.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -60.04 -44.74 94.46 Favored 'General case' 0 N--CA 1.488 1.47 0 O-C-N 121.205 -0.934 . . . . 0.0 109.326 -179.844 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.82 -41.93 96.7 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.31 -0.868 . . . . 0.0 109.593 -179.858 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 75.9 mm-40 -64.68 -19.89 66.0 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.395 -0.816 . . . . 0.0 109.247 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -95.04 20.2 9.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.294 -0.879 . . . . 0.0 108.775 -179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 C--N 1.302 -1.492 0 CA-C-O 118.088 -0.958 . . . . 0.0 109.734 -179.749 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.431 ' O ' ' OE1' ' B' ' 5' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.957 0 N-CA-C 119.753 2.661 . . . . 0.0 119.753 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -107.48 -79.58 0.57 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.412 -1.052 . . . . 0.0 108.78 178.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.474 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.5 mt-10 -64.3 -51.07 65.3 Favored 'General case' 0 C--N 1.301 -1.533 0 CA-C-O 121.555 0.693 . . . . 0.0 110.126 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.507 HD21 HD12 ' A' ' 41' ' ' LEU . 25.6 tp -60.08 -38.37 82.69 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 121.684 -0.635 . . . . 0.0 109.85 -177.452 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . 0.431 ' OE1' ' O ' ' B' ' 1' ' ' GLY . 88.9 tt0 -56.74 -46.32 81.45 Favored 'General case' 0 N--CA 1.494 1.729 0 CA-C-O 122.211 1.005 . . . . 0.0 108.801 178.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.474 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 36.8 p -67.47 -33.87 76.01 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.638 -0.663 . . . . 0.0 110.517 -179.68 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.587 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -53.94 -53.76 48.33 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.339 -0.851 . . . . 0.0 110.776 -175.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.43 ' C ' ' SD ' ' B' ' 8' ' ' MET . 3.6 ppp? -60.07 -33.73 72.47 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 120.601 -1.312 . . . . 0.0 109.006 -179.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 84.6 tt0 -65.03 -35.4 81.05 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.548 -0.72 . . . . 0.0 110.242 179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.589 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 21.7 p -73.52 -47.19 42.93 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.262 -0.899 . . . . 0.0 111.161 -178.509 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.43 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 68.5 mt -58.32 -40.38 81.9 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.343 -0.848 . . . . 0.0 111.117 -178.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.5 mt -78.91 -28.64 13.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.078 -1.014 . . . . 0.0 111.134 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -60.3 -39.96 88.79 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.586 -1.321 . . . . 0.0 109.496 -179.64 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.455 ' H ' HG22 ' B' ' 14' ' ' VAL . 7.8 m -80.27 -34.01 14.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.871 -0.518 . . . . 0.0 111.029 -179.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.43 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 16.0 m-30 -60.0 -49.87 75.98 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.104 -0.997 . . . . 0.0 111.111 -179.526 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.493 ' C ' ' ND1' ' B' ' 16' ' ' HIS . 1.6 p80 -80.89 -20.35 42.38 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 120.956 -1.09 . . . . 0.0 112.131 -177.658 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . 0.474 ' N ' ' ND1' ' B' ' 16' ' ' HIS . . . -73.77 -60.25 2.34 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.441 -1.412 . . . . 0.0 112.053 -177.681 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.534 ' NE2' ' O ' ' B' ' 32' ' ' GLU . 2.0 p-80 -75.04 -38.6 61.38 Favored 'General case' 0 N--CA 1.498 1.947 0 O-C-N 120.139 -1.601 . . . . 0.0 110.781 -178.382 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.502 ' OG ' ' CD1' ' B' ' 28' ' ' LEU . 8.2 m -61.39 -12.8 15.7 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.168 -0.958 . . . . 0.0 110.222 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -94.45 15.73 62.63 Favored Glycine 0 N--CA 1.49 2.28 0 N-CA-C 109.744 -1.342 . . . . 0.0 109.744 -178.791 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.0 mttm -93.24 -71.25 0.66 Allowed 'General case' 0 N--CA 1.489 1.476 0 O-C-N 121.113 -1.228 . . . . 0.0 108.509 178.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.4 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 28.8 mt-10 -114.0 83.81 1.93 Allowed 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.808 -0.558 . . . . 0.0 109.66 -178.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 169.81 -155.14 24.82 Favored Glycine 0 N--CA 1.492 2.432 0 N-CA-C 109.748 -1.341 . . . . 0.0 109.748 179.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 64.7 m-20 -91.72 163.04 14.23 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.302 -1.116 . . . . 0.0 108.969 179.563 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -48.36 -27.28 2.48 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.26 -0.9 . . . . 0.0 110.711 -178.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.555 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 16.9 p90 -156.38 59.66 0.56 Allowed 'General case' 0 N--CA 1.497 1.893 0 O-C-N 120.341 -1.475 . . . . 0.0 111.976 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 8.8 tppt? -140.91 142.46 34.43 Favored 'General case' 0 N--CA 1.499 1.985 0 N-CA-C 106.291 -1.744 . . . . 0.0 106.291 175.718 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.502 ' CD1' ' OG ' ' B' ' 19' ' ' SER . 5.4 tp -99.02 151.14 21.26 Favored 'General case' 0 N--CA 1.488 1.469 0 O-C-N 120.81 -1.182 . . . . 0.0 110.158 -177.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 69.6 m -131.94 163.36 28.53 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.638 -0.664 . . . . 0.0 109.435 -178.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 65.6 tttt -51.61 -44.58 62.93 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 121.055 -1.028 . . . . 0.0 111.683 -179.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -72.31 -26.73 62.06 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.464 -1.398 . . . . 0.0 110.705 -178.46 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.534 ' O ' ' NE2' ' B' ' 18' ' ' HIS . 99.1 mt-10 -75.82 -39.97 55.8 Favored 'General case' 0 C--N 1.3 -1.561 0 N-CA-C 108.236 -1.024 . . . . 0.0 108.236 178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.697 HD23 ' C ' ' B' ' 33' ' ' LEU . 1.7 tt -60.39 -45.17 94.5 Favored 'General case' 0 N--CA 1.496 1.863 0 CA-C-O 121.305 0.574 . . . . 0.0 111.246 179.579 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.656 ' N ' HD23 ' B' ' 33' ' ' LEU . 80.3 tttt -63.75 -40.01 95.67 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.465 -0.772 . . . . 0.0 112.25 -177.193 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 89.9 m-20 -75.49 -27.67 58.9 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.75 -1.218 . . . . 0.0 109.928 -179.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.572 HD23 ' CZ ' ' B' ' 74' ' ' PHE . 50.5 tp -67.99 -39.7 83.21 Favored 'General case' 0 C--N 1.292 -1.91 0 O-C-N 121.184 -0.947 . . . . 0.0 111.839 -178.62 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.477 HD22 HD23 ' B' ' 45' ' ' LEU . 27.4 mt -83.63 -37.27 23.08 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.633 -1.292 . . . . 0.0 112.422 -177.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.504 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.1 pp0? -69.99 -33.02 71.51 Favored 'General case' 0 C--N 1.293 -1.867 0 O-C-N 120.687 -1.258 . . . . 0.0 109.774 -178.248 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.504 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 52.7 m -86.55 -65.38 1.02 Allowed 'General case' 0 N--CA 1.486 1.373 0 O-C-N 121.423 -0.798 . . . . 0.0 112.013 -177.469 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.504 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 57.1 mp0 -69.33 -55.63 9.88 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.341 -0.849 . . . . 0.0 111.785 -177.329 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.619 HD13 HD22 ' B' ' 45' ' ' LEU . 1.8 mt -95.91 49.03 1.14 Allowed 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.776 -1.203 . . . . 0.0 108.025 -179.924 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 77.4 p -65.95 -17.82 64.92 Favored 'General case' 0 N--CA 1.493 1.686 0 CA-C-N 115.377 -0.828 . . . . 0.0 112.233 -179.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 92.8 p -89.35 -8.23 53.65 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 120.797 -1.189 . . . . 0.0 113.279 -176.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 -141.08 -59.54 0.5 Allowed 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.317 -1.489 . . . . 0.0 111.185 -178.429 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.619 HD22 HD13 ' B' ' 41' ' ' LEU . 2.6 mp -71.7 135.38 46.8 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 120.694 -1.253 . . . . 0.0 108.781 -179.12 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 80.5 m-20 -122.76 156.31 34.72 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 179.389 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.506 HG23 ' N ' ' B' ' 48' ' ' GLN . 27.5 m -158.87 -34.81 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.633 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 -179.269 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.506 ' N ' HG23 ' B' ' 47' ' ' VAL . 13.2 pt20 -73.91 -45.02 53.27 Favored 'General case' 0 C--N 1.301 -1.513 0 C-N-CA 120.309 -0.556 . . . . 0.0 111.827 -177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 51.8 pttt -70.66 -34.81 72.44 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.658 -1.276 . . . . 0.0 109.686 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 95.3 m-20 -108.57 97.82 7.43 Favored 'General case' 0 N--CA 1.5 2.036 0 O-C-N 121.463 -0.773 . . . . 0.0 110.262 -178.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.43 -33.16 71.0 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.233 -0.917 . . . . 0.0 108.985 178.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 96.6 m-20 -60.64 -40.03 90.48 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.37 -0.831 . . . . 0.0 108.962 179.911 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.38 88.06 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.693 -0.629 . . . . 0.0 111.245 179.349 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.41 HG22 ' HB ' ' B' ' 47' ' ' VAL . 44.3 t -69.15 -52.7 31.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.618 0 O-C-N 121.178 -0.951 . . . . 0.0 111.927 -178.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.6 m-20 -59.96 -40.02 87.62 Favored 'General case' 0 C--N 1.289 -2.063 0 O-C-N 120.805 -1.184 . . . . 0.0 110.273 -178.494 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 63.2 mttp -69.11 -39.16 79.11 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.03 -1.044 . . . . 0.0 112.388 -177.146 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' B' ' 61' ' ' LEU . 0.9 OUTLIER -81.93 -52.11 14.14 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.062 0 O-C-N 120.184 -1.572 . . . . 0.0 109.775 -179.43 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD2' ' B' ' 62' ' ' ASP . 7.2 tpt -59.9 -49.54 77.31 Favored 'General case' 0 C--N 1.292 -1.912 0 O-C-N 121.087 -1.008 . . . . 0.0 112.033 -177.552 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 46.4 tptt -70.66 -36.63 73.45 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 120.482 -1.386 . . . . 0.0 109.901 -178.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 -87.45 -16.03 35.99 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 121.462 -0.774 . . . . 0.0 110.055 -178.117 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' B' ' 57' ' ' ILE . 63.7 tp -83.23 -14.14 53.86 Favored 'General case' 0 N--CA 1.503 2.18 0 N-CA-C 105.649 -1.982 . . . . 0.0 105.649 178.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.599 ' O ' ' N ' ' B' ' 65' ' ' GLY . 14.5 m-20 -92.6 41.88 1.09 Allowed 'General case' 0 N--CA 1.487 1.405 0 N-CA-C 103.836 -2.653 . . . . 0.0 103.836 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.511 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.0 tp10 -42.16 -23.21 0.03 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 111.934 -2.394 . . . . 0.0 110.273 -179.401 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 37.3 t30 -86.03 -11.25 53.38 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.793 -1.192 . . . . 0.0 108.131 179.576 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.599 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 90.25 31.61 10.51 Favored Glycine 0 N--CA 1.485 1.914 0 N-CA-C 110.256 -1.138 . . . . 0.0 110.256 178.295 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.613 ' C ' ' H ' ' B' ' 68' ' ' GLU . 16.8 p-10 -109.87 114.02 27.23 Favored 'General case' 0 N--CA 1.486 1.332 0 N-CA-C 105.158 -2.164 . . . . 0.0 105.158 178.617 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -60.76 9.47 0.06 OUTLIER Glycine 0 N--CA 1.491 2.302 0 O-C-N 119.449 -2.032 . . . . 0.0 110.448 -179.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.613 ' H ' ' C ' ' B' ' 66' ' ' ASP . 94.9 mt-10 -117.9 139.16 51.52 Favored 'General case' 0 N--CA 1.478 0.951 0 N-CA-C 106.715 -1.587 . . . . 0.0 106.715 178.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 94.6 t -108.68 130.35 61.61 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.932 0 N-CA-C 108.8 -0.815 . . . . 0.0 108.8 -178.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.593 ' O ' ' N ' ' B' ' 72' ' ' GLN . 66.2 t0 -87.69 126.62 35.08 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.829 -1.169 . . . . 0.0 108.973 -179.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.491 ' C ' ' O ' ' B' ' 70' ' ' ASP . 44.4 m-85 -23.86 -38.65 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.466 0 N-CA-C 112.386 0.513 . . . . 0.0 112.386 -179.809 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.593 ' N ' ' O ' ' B' ' 70' ' ' ASP . 0.7 OUTLIER -60.28 -41.86 94.23 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.344 -1.472 . . . . 0.0 110.016 179.572 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.507 ' N ' ' O ' ' B' ' 70' ' ' ASP . 98.7 mt-10 -70.84 -43.35 68.71 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.801 -1.187 . . . . 0.0 110.797 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.783 ' O ' HG22 ' B' ' 78' ' ' VAL . 19.6 t80 -60.32 -50.7 72.6 Favored 'General case' 0 N--CA 1.5 2.031 0 N-CA-C 112.606 0.595 . . . . 0.0 112.606 -178.457 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.475 HG13 ' N ' ' B' ' 76' ' ' VAL . 9.8 p -59.97 -39.98 81.71 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.918 0 CA-C-O 121.033 0.444 . . . . 0.0 111.676 -177.586 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.475 ' N ' HG13 ' B' ' 75' ' ' VAL . 25.1 t -61.53 -59.21 4.66 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.029 -1.044 . . . . 0.0 111.395 -178.447 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -66.71 -50.76 61.77 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.655 -1.278 . . . . 0.0 112.691 -176.424 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.783 HG22 ' O ' ' B' ' 74' ' ' PHE . 17.6 m -60.08 -39.34 80.13 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.02 0 O-C-N 121.141 -0.974 . . . . 0.0 112.428 -177.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.558 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -70.06 -26.13 63.87 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.339 -0.851 . . . . 0.0 110.519 -178.34 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.07 -46.53 87.02 Favored 'General case' 0 C--N 1.301 -1.54 0 N-CA-C 106.305 -1.739 . . . . 0.0 106.305 177.285 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 6.7 mp -59.97 -38.82 83.62 Favored 'General case' 0 N--CA 1.497 1.92 0 CA-C-N 115.513 -0.767 . . . . 0.0 110.325 -179.842 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 98.8 m -60.16 -52.73 64.09 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.84 -1.163 . . . . 0.0 110.881 -177.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 92.8 t -67.64 -39.25 81.87 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 121.14 -0.975 . . . . 0.0 110.761 -179.392 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.17 -40.02 88.48 Favored 'General case' 0 C--N 1.29 -1.999 0 CA-C-O 121.471 0.653 . . . . 0.0 110.497 -177.793 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 74.9 m -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.4 -0.813 . . . . 0.0 109.291 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.3 t30 -60.19 -39.94 88.28 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.388 -0.82 . . . . 0.0 110.451 -179.112 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -60.2 -40.95 91.86 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.934 -1.104 . . . . 0.0 110.757 -179.306 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 81.9 m-85 -79.96 -16.94 54.2 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.993 -1.067 . . . . 0.0 109.487 -179.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 58.2 t80 -60.08 -45.11 94.03 Favored 'General case' 0 N--CA 1.487 1.405 0 O-C-N 121.352 -0.843 . . . . 0.0 109.278 -179.778 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 82.6 t90 -60.4 -41.89 94.83 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 121.288 -0.882 . . . . 0.0 109.709 -179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 75.5 mm-40 -64.94 -19.78 66.13 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.359 -0.838 . . . . 0.0 109.182 -179.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -95.14 20.19 9.48 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 -179.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 83.5 p . . . . . 0 C--N 1.301 -1.521 0 CA-C-O 118.047 -0.977 . . . . 0.0 109.707 -179.722 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.44 ' HD2' ' H1 ' ' C' ' 1' ' ' LYS . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.3 ptpt -60.92 -38.34 85.42 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.281 -0.887 . . . . 0.0 109.65 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.09 -40.37 89.36 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.205 -0.934 . . . . 0.0 109.344 -179.796 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t -63.84 -40.0 87.46 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 O-C-N 121.039 -1.038 . . . . 0.0 108.822 179.105 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.594 ' HE1' HD12 ' A' ' 77' ' ' LEU . 37.7 m0 -62.48 -34.07 76.12 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.501 -0.749 . . . . 0.0 110.372 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -49.97 -42.48 48.9 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 120.743 -1.223 . . . . 0.0 108.941 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 6.3 ttpm? -60.01 -49.05 79.18 Favored 'General case' 0 N--CA 1.489 1.514 0 N-CA-C 107.986 -1.116 . . . . 0.0 107.986 178.338 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.508 HD11 ' NE2' ' C' ' 12' ' ' GLN . 52.3 tp -63.98 -48.66 75.55 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.727 -0.608 . . . . 0.0 110.614 -179.655 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.417 ' N ' HD23 ' C' ' 9' ' ' LEU . 5.8 mt -69.39 -38.81 78.15 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 120.884 -1.135 . . . . 0.0 109.545 -178.523 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 19.5 p -59.94 -47.4 85.93 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.195 -0.941 . . . . 0.0 110.466 -179.309 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 47.1 mtpt -69.4 -39.96 77.63 Favored 'General case' 0 N--CA 1.488 1.437 0 O-C-N 121.126 -0.984 . . . . 0.0 109.761 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.508 ' NE2' HD11 ' C' ' 8' ' ' LEU . 78.2 mt-30 . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.37 179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.489 1.502 0 N-CA-C 109.173 -0.677 . . . . 0.0 109.173 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 14.2 ptpt -61.0 -38.38 85.83 Favored 'General case' 0 N--CA 1.488 1.468 0 O-C-N 121.332 -0.855 . . . . 0.0 109.663 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -40.37 88.94 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.141 -0.974 . . . . 0.0 109.414 -179.831 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.7 t -63.85 -40.02 87.54 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.563 0 O-C-N 121.067 -1.02 . . . . 0.0 108.962 179.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . 0.606 ' HE1' HD12 ' B' ' 77' ' ' LEU . 38.2 m0 -62.45 -34.27 76.47 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.596 -0.69 . . . . 0.0 110.424 -179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 56.8 m80 -49.77 -42.68 47.1 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.735 -1.228 . . . . 0.0 108.938 -179.577 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 6.5 ttpm? -60.0 -48.93 79.7 Favored 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 107.93 -1.137 . . . . 0.0 107.93 178.334 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.517 HD11 ' NE2' ' D' ' 12' ' ' GLN . 53.4 tp -63.84 -48.86 75.08 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.634 -0.667 . . . . 0.0 110.631 -179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.404 ' N ' HD23 ' D' ' 9' ' ' LEU . 6.0 mt -69.28 -38.84 78.56 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 120.896 -1.127 . . . . 0.0 109.568 -178.547 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 20.5 p -59.93 -47.52 85.46 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.127 -0.983 . . . . 0.0 110.491 -179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 47.4 mtpt -69.19 -39.89 78.41 Favored 'General case' 0 N--CA 1.489 1.495 0 O-C-N 121.178 -0.951 . . . . 0.0 109.773 -179.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.517 ' NE2' HD11 ' D' ' 8' ' ' LEU . 78.2 mt-30 . . . . . 0 N--CA 1.494 1.745 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.378 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.451 ' N ' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.878 0 N-CA-C 119.531 2.572 . . . . 0.0 119.531 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -106.62 -8.79 16.8 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.464 -1.021 . . . . 0.0 109.206 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.452 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 52.2 mp0 -59.87 -52.32 65.96 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.305 -0.872 . . . . 0.0 109.455 179.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . . . . . . . . . 13.5 tp -60.12 -36.64 77.91 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.425 -0.797 . . . . 0.0 110.176 -177.489 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -56.43 -49.13 75.43 Favored 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.046 -1.034 . . . . 0.0 108.847 179.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.419 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.4 p -64.02 -32.96 74.7 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.71 -0.619 . . . . 0.0 110.865 -179.6 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.535 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -56.98 -49.19 76.5 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.249 -0.907 . . . . 0.0 110.719 -177.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ttt -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.3 -1.578 0 O-C-N 120.715 -1.24 . . . . 0.0 109.225 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' O ' ' OD1' ' A' ' 13' ' ' ASN . 75.2 mm-40 -61.09 -39.8 91.31 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.557 -0.715 . . . . 0.0 110.314 -179.722 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.536 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 11.4 p -69.2 -45.86 68.88 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.658 -0.651 . . . . 0.0 111.355 -177.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 70.8 mt -60.07 -40.89 91.08 Favored 'General case' 0 N--CA 1.488 1.455 0 O-C-N 121.311 -0.868 . . . . 0.0 111.215 -178.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 43.7 mt -81.97 -36.57 14.23 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 O-C-N 121.359 -0.838 . . . . 0.0 112.487 -176.823 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 9' ' ' GLU . 16.0 m120 -60.13 -39.92 87.97 Favored 'General case' 0 C--N 1.293 -1.888 0 O-C-N 120.362 -1.461 . . . . 0.0 109.189 -179.438 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.5 p -80.03 -32.75 14.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.654 0 O-C-N 121.81 -0.556 . . . . 0.0 110.571 -179.319 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.452 ' CD1' ' CE2' ' A' ' 71' ' ' PHE . 0.1 OUTLIER -60.04 -56.25 23.99 Favored 'General case' 0 N--CA 1.501 2.085 0 O-C-N 121.093 -1.004 . . . . 0.0 111.232 -179.289 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 83.5 t60 -70.01 -23.51 63.14 Favored 'General case' 0 N--CA 1.488 1.452 0 O-C-N 121.818 -0.551 . . . . 0.0 111.1 -177.509 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.24 -60.28 2.32 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 120.77 -1.206 . . . . 0.0 110.834 -178.807 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.524 ' NE2' ' OE2' ' A' ' 40' ' ' GLU . 56.4 m-70 -70.56 -40.08 73.56 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.403 -1.435 . . . . 0.0 111.521 -178.273 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.613 ' OG ' HD11 ' A' ' 28' ' ' LEU . 51.2 m -64.88 -12.04 44.41 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 120.993 -1.067 . . . . 0.0 110.256 -179.693 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.27 12.96 60.25 Favored Glycine 0 N--CA 1.493 2.494 0 N-CA-C 109.664 -1.374 . . . . 0.0 109.664 -178.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -93.63 -74.93 0.51 Allowed 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.252 -1.146 . . . . 0.0 108.973 178.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 25.6 mt-10 -106.99 88.06 2.65 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 -179.231 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 162.74 -151.17 20.87 Favored Glycine 0 N--CA 1.492 2.369 0 C-N-CA 119.598 -1.287 . . . . 0.0 110.109 179.397 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 98.8 m-20 -97.85 169.98 9.29 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.413 -1.051 . . . . 0.0 109.094 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -53.01 -39.99 63.51 Favored 'General case' 0 N--CA 1.489 1.524 0 O-C-N 121.266 -0.896 . . . . 0.0 111.586 -177.614 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.603 ' CE1' ' CZ ' ' A' ' 71' ' ' PHE . 26.4 t80 -147.91 49.94 1.05 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.192 -1.567 . . . . 0.0 112.363 -178.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.05 140.44 36.16 Favored 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 105.897 -1.89 . . . . 0.0 105.897 175.373 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.613 HD11 ' OG ' ' A' ' 19' ' ' SER . 3.6 mm? -98.41 152.4 19.53 Favored 'General case' 0 N--CA 1.497 1.905 0 O-C-N 120.68 -1.263 . . . . 0.0 110.779 -178.472 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.1 p -126.41 161.66 27.36 Favored 'General case' 0 C--N 1.299 -1.591 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -46.57 -44.09 17.72 Favored 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.001 -1.062 . . . . 0.0 110.57 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 60.7 tttp -69.95 -29.56 66.72 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.009 -1.057 . . . . 0.0 111.749 -178.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' A' ' 29' ' ' SER . 47.6 mt-10 -76.59 -35.51 58.1 Favored 'General case' 0 N--CA 1.488 1.473 0 O-C-N 120.629 -1.294 . . . . 0.0 107.678 178.525 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.461 ' O ' ' CD2' ' A' ' 37' ' ' LEU . 47.1 tp -59.95 -49.55 77.24 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.671 -0.643 . . . . 0.0 110.793 -179.231 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.26 -35.68 72.1 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.121 -0.987 . . . . 0.0 110.253 -178.453 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 48.4 t0 -70.0 -28.8 65.81 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.266 -0.896 . . . . 0.0 110.328 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.427 HD23 ' O ' ' A' ' 32' ' ' GLU . 1.1 mm? -66.93 -43.11 84.11 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.118 -0.989 . . . . 0.0 112.675 -177.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.915 ' H ' HD22 ' A' ' 37' ' ' LEU . 0.3 OUTLIER -87.56 -32.01 19.58 Favored 'General case' 0 N--CA 1.51 2.527 0 O-C-N 120.519 -1.363 . . . . 0.0 113.293 -177.839 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.456 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.2 pt20 -77.65 -39.98 43.23 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.643 -1.286 . . . . 0.0 111.693 -177.157 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.456 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 27.1 m -85.54 -50.53 7.18 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.302 -0.874 . . . . 0.0 112.375 -176.617 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.524 ' OE2' ' NE2' ' A' ' 18' ' ' HIS . 71.3 mm-40 -87.18 -49.73 7.09 Favored 'General case' 0 C--N 1.302 -1.498 0 N-CA-C 113.557 0.947 . . . . 0.0 113.557 -175.417 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.17 35.74 0.99 Allowed 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.726 -1.234 . . . . 0.0 111.394 -176.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' A' ' 43' ' ' SER . 47.5 t -50.02 132.24 23.12 Favored 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 107.176 -1.416 . . . . 0.0 107.176 176.303 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.6 t 154.33 -41.89 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.384 0 CA-C-N 118.89 0.768 . . . . 0.0 110.608 178.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 55.8 t80 -164.0 -40.77 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.777 -1.202 . . . . 0.0 110.849 -178.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' N ' HD22 ' A' ' 45' ' ' LEU . 4.0 mm? -56.9 129.51 41.84 Favored 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 118.534 -1.266 . . . . 0.0 107.716 -179.233 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 94.1 m-20 -118.09 146.87 43.81 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.844 -1.16 . . . . 0.0 108.622 -179.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.448 HG23 ' N ' ' A' ' 48' ' ' GLN . 4.7 m -152.47 -37.8 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 N-CA-C 107.972 -1.121 . . . . 0.0 107.972 179.57 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.448 ' N ' HG23 ' A' ' 47' ' ' VAL . 26.8 mt-30 -70.05 -60.26 2.4 Favored 'General case' 0 N--CA 1.491 1.615 0 CA-C-N 115.956 -0.565 . . . . 0.0 112.04 -177.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 49.2 pttt -70.37 -32.7 70.49 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.846 -1.159 . . . . 0.0 110.454 -179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.56 ' OD1' ' N ' ' A' ' 50' ' ' ASP . 12.1 p-10 -88.41 84.28 6.82 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 121.122 -0.986 . . . . 0.0 109.457 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.17 -40.06 94.73 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.661 -0.649 . . . . 0.0 109.862 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -60.01 -39.99 87.74 Favored 'General case' 0 C--N 1.302 -1.461 0 O-C-N 121.206 -0.934 . . . . 0.0 109.09 -179.611 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.14 -39.22 91.86 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 121.419 -0.8 . . . . 0.0 111.453 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 24.3 t -69.68 -56.25 12.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.67 0 O-C-N 120.956 -1.09 . . . . 0.0 111.529 -177.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.2 m-20 -63.41 -43.59 97.06 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 120.313 -1.492 . . . . 0.0 111.401 -176.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.4 mmmt -70.04 -39.92 75.44 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 121.396 -0.815 . . . . 0.0 112.468 -178.167 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.581 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -78.23 -50.04 20.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.479 0 O-C-N 120.862 -1.149 . . . . 0.0 110.396 -177.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.6 tpt -61.84 -43.43 98.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.436 -0.79 . . . . 0.0 111.524 -178.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.78 -35.22 72.49 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.949 -1.094 . . . . 0.0 110.341 -179.035 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 74.7 mm-40 -93.01 -27.05 17.24 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.226 -0.921 . . . . 0.0 109.97 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.581 ' N ' ' O ' ' A' ' 57' ' ' ILE . 39.4 tp -71.11 -35.08 71.66 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 105.145 -2.168 . . . . 0.0 105.145 -179.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.547 ' OD2' ' N ' ' A' ' 67' ' ' GLY . 18.7 t0 -76.91 57.05 1.27 Allowed 'General case' 0 N--CA 1.488 1.437 0 N-CA-C 103.617 -2.734 . . . . 0.0 103.617 174.541 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' A' ' 61' ' ' LEU . 21.9 pt-20 -50.03 -19.91 0.83 Allowed 'General case' 0 C--N 1.284 -2.282 0 CA-C-N 111.241 -2.709 . . . . 0.0 110.438 -176.779 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -85.49 2.32 45.17 Favored 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 107.052 -1.462 . . . . 0.0 107.052 177.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.516 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.37 37.08 86.64 Favored Glycine 0 N--CA 1.497 2.703 0 CA-C-N 115.806 -0.633 . . . . 0.0 112.22 178.196 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.456 ' OD1' ' OD1' ' A' ' 62' ' ' ASP . 4.0 p-10 -100.89 -10.61 20.5 Favored 'General case' 0 N--CA 1.503 2.194 0 O-C-N 120.756 -1.438 . . . . 0.0 110.425 179.297 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.77 -5.68 73.81 Favored Glycine 0 N--CA 1.499 2.866 0 O-C-N 120.576 -1.328 . . . . 0.0 110.25 178.724 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 97.9 mt-10 -119.99 143.99 47.74 Favored 'General case' 0 C--N 1.311 -1.1 0 N-CA-C 107.072 -1.455 . . . . 0.0 107.072 179.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -103.15 133.13 47.82 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.813 0 O-C-N 121.107 -0.995 . . . . 0.0 111.211 -177.125 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.545 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 48.8 t0 -78.73 154.38 30.09 Favored 'General case' 0 C--N 1.3 -1.574 0 N-CA-C 107.327 -1.36 . . . . 0.0 107.327 178.354 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.603 ' CZ ' ' CE1' ' A' ' 26' ' ' TYR . 13.0 m-85 -59.6 -39.22 83.49 Favored 'General case' 0 C--N 1.293 -1.856 0 O-C-N 120.972 -1.08 . . . . 0.0 108.673 -179.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -60.03 -40.05 87.98 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.16 -0.963 . . . . 0.0 111.136 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 84.0 mt-10 -68.21 -40.05 82.23 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 120.512 -1.368 . . . . 0.0 110.554 -178.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.739 ' O ' HG22 ' A' ' 78' ' ' VAL . 44.2 t80 -64.41 -53.3 50.63 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.593 -0.692 . . . . 0.0 112.432 -178.161 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.32 -32.01 47.55 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.869 0 O-C-N 121.87 -0.518 . . . . 0.0 111.65 -177.148 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.9 t -70.03 -58.15 6.24 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.662 0 O-C-N 121.145 -0.972 . . . . 0.0 111.749 -178.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.594 HD12 ' HE1' ' C' ' 5' ' ' TRP . 8.8 tt -67.39 -43.3 81.66 Favored 'General case' 0 N--CA 1.501 2.121 0 O-C-N 120.915 -1.116 . . . . 0.0 112.551 -176.495 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.739 HG22 ' O ' ' A' ' 74' ' ' PHE . 29.7 m -64.21 -38.72 83.21 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.929 0 O-C-N 120.954 -1.091 . . . . 0.0 111.367 -178.199 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.546 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -78.57 -27.14 45.72 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.402 -0.811 . . . . 0.0 110.154 -179.145 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.12 -24.97 65.08 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.018 -1.051 . . . . 0.0 109.665 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.0 mt -92.31 -38.67 11.93 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.239 -0.913 . . . . 0.0 109.775 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.458 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.5 t -61.6 -47.04 87.25 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 121.02 -1.05 . . . . 0.0 110.095 -178.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.471 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.5 p -76.91 -40.71 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.655 0 O-C-N 121.036 -1.04 . . . . 0.0 110.563 -179.743 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.471 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -60.06 -33.25 71.8 Favored 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.314 -0.866 . . . . 0.0 109.975 -179.293 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 48.4 t -67.55 -39.93 84.97 Favored 'General case' 0 C--N 1.299 -1.59 0 O-C-N 121.4 -0.812 . . . . 0.0 109.671 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.478 ' ND2' ' OD1' ' A' ' 92' ' ' ASN . 4.1 m120 -61.04 -40.15 92.52 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.17 -0.957 . . . . 0.0 110.648 -179.26 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.9 t30 -60.43 -46.95 88.18 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.073 -1.017 . . . . 0.0 111.074 -179.185 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 55.0 m-85 -64.07 -40.02 95.35 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.005 -1.06 . . . . 0.0 110.833 -178.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.11 105.55 15.88 Favored 'General case' 0 N--CA 1.498 1.974 0 O-C-N 121.13 -0.982 . . . . 0.0 109.224 -179.413 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 45.8 p-90 -69.94 -29.62 66.8 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.315 -0.866 . . . . 0.0 110.461 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -69.63 -21.7 63.54 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.148 -0.97 . . . . 0.0 109.74 -179.615 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.478 ' OD1' ' ND2' ' A' ' 86' ' ' ASN . 27.3 t-20 -77.1 -1.42 29.03 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.212 -0.93 . . . . 0.0 109.427 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.4 t . . . . . 0 C--N 1.302 -1.489 0 CA-C-O 118.02 -0.991 . . . . 0.0 109.424 -179.792 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.408 ' N ' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.844 0 N-CA-C 119.602 2.601 . . . . 0.0 119.602 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.1 p -106.26 -8.82 17.12 Favored 'General case' 0 N--CA 1.498 1.967 0 O-C-N 121.438 -1.036 . . . . 0.0 109.224 179.171 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.469 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 51.7 mp0 -60.01 -52.24 66.21 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.264 -0.898 . . . . 0.0 109.352 179.292 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 12.4 tp -60.05 -36.85 78.23 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 121.536 -0.727 . . . . 0.0 110.238 -177.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.5 tt0 -56.35 -48.91 75.82 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.038 -1.039 . . . . 0.0 108.954 179.031 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 22.8 p -64.3 -31.74 73.06 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.577 -0.702 . . . . 0.0 110.736 -179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.536 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -58.35 -48.38 80.75 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.211 -0.931 . . . . 0.0 110.568 -176.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 26.1 ttt -59.94 -40.04 87.59 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.045 -1.034 . . . . 0.0 109.119 179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.406 ' O ' ' OD1' ' B' ' 13' ' ' ASN . 75.0 mm-40 -61.09 -39.96 91.89 Favored 'General case' 0 N--CA 1.492 1.663 0 CA-C-O 121.595 0.712 . . . . 0.0 110.275 -179.816 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.535 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 10.8 p -68.94 -45.99 69.38 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.599 -0.688 . . . . 0.0 111.341 -177.767 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 69.9 mt -60.03 -41.12 91.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.387 -0.821 . . . . 0.0 111.318 -178.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 42.6 mt -81.28 -37.39 15.65 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.093 0 O-C-N 121.303 -0.873 . . . . 0.0 112.353 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.406 ' OD1' ' O ' ' B' ' 9' ' ' GLU . 15.8 m120 -59.93 -40.08 87.72 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.324 -1.485 . . . . 0.0 109.178 -178.875 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -79.69 -32.88 14.62 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.793 -0.567 . . . . 0.0 110.565 -179.683 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.457 ' CD1' ' CE2' ' B' ' 71' ' ' PHE . 0.1 OUTLIER -59.88 -56.28 23.66 Favored 'General case' 0 N--CA 1.5 2.034 0 O-C-N 121.016 -1.053 . . . . 0.0 111.345 -179.381 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 83.6 t60 -69.94 -23.34 63.18 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.818 -0.551 . . . . 0.0 111.174 -177.555 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.62 -60.11 2.4 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 120.732 -1.23 . . . . 0.0 110.802 -178.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.517 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 55.8 m-70 -70.59 -40.04 73.47 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.429 -1.419 . . . . 0.0 111.56 -178.308 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.604 ' OG ' HD11 ' B' ' 28' ' ' LEU . 51.6 m -64.98 -11.87 43.65 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.068 -1.02 . . . . 0.0 110.283 -179.787 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.4 12.55 59.99 Favored Glycine 0 N--CA 1.494 2.549 0 N-CA-C 109.596 -1.401 . . . . 0.0 109.596 -178.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 37.4 mttp -93.26 -74.9 0.51 Allowed 'General case' 0 N--CA 1.488 1.467 0 O-C-N 121.211 -1.17 . . . . 0.0 109.047 179.116 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -107.03 87.94 2.62 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.458 -0.571 . . . . 0.0 109.458 -179.318 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 163.21 -150.97 20.38 Favored Glycine 0 N--CA 1.492 2.371 0 C-N-CA 119.582 -1.294 . . . . 0.0 110.18 179.548 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 98.9 m-20 -97.98 170.0 9.25 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.419 -1.048 . . . . 0.0 109.144 179.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -53.13 -40.07 63.95 Favored 'General case' 0 C--N 1.301 -1.534 0 O-C-N 121.329 -0.857 . . . . 0.0 111.583 -177.629 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.609 ' CE1' ' CZ ' ' B' ' 71' ' ' PHE . 26.8 t80 -147.92 49.98 1.05 Allowed 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.159 -1.588 . . . . 0.0 112.229 -178.706 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.96 140.58 36.37 Favored 'General case' 0 N--CA 1.495 1.787 0 N-CA-C 105.963 -1.865 . . . . 0.0 105.963 175.346 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.604 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.6 mm? -98.61 152.22 19.84 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.764 -1.21 . . . . 0.0 110.863 -178.556 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.481 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 78.6 p -126.23 161.31 28.03 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.564 -1.272 . . . . 0.0 107.564 179.255 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.4 tttt -46.16 -44.48 15.94 Favored 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.973 -1.079 . . . . 0.0 110.513 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.8 tttp -70.03 -28.94 65.89 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.935 -1.103 . . . . 0.0 111.659 -178.559 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.481 ' HB2' ' H ' ' B' ' 29' ' ' SER . 47.1 mt-10 -76.85 -35.44 57.49 Favored 'General case' 0 N--CA 1.488 1.438 0 C-N-CA 118.339 -1.344 . . . . 0.0 107.666 178.403 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.452 ' O ' ' CD2' ' B' ' 37' ' ' LEU . 50.6 tp -59.93 -49.69 76.71 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.731 -0.606 . . . . 0.0 110.885 -179.272 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.8 mtpm? -58.18 -35.62 71.87 Favored 'General case' 0 C--N 1.298 -1.65 0 O-C-N 121.024 -1.047 . . . . 0.0 110.182 -178.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.441 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 48.6 t0 -70.03 -28.78 65.75 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.17 -0.956 . . . . 0.0 110.39 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.43 HD23 ' O ' ' B' ' 32' ' ' GLU . 1.1 mm? -66.89 -43.22 83.99 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.054 -1.029 . . . . 0.0 112.727 -177.24 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.941 HD22 ' H ' ' B' ' 37' ' ' LEU . 0.3 OUTLIER -87.69 -30.85 20.07 Favored 'General case' 0 N--CA 1.509 2.517 0 O-C-N 120.646 -1.284 . . . . 0.0 113.405 -177.933 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.452 ' CG ' ' N ' ' B' ' 39' ' ' THR . 13.4 pt20 -78.61 -39.94 35.86 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 120.486 -1.384 . . . . 0.0 111.678 -177.352 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 30.0 m -85.38 -50.45 7.3 Favored 'General case' 0 C--N 1.303 -1.441 0 O-C-N 121.366 -0.834 . . . . 0.0 112.241 -176.537 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.517 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 71.1 mm-40 -87.47 -49.53 7.15 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -175.365 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -92.37 35.78 1.01 Allowed 'General case' 0 N--CA 1.506 2.329 0 O-C-N 120.708 -1.245 . . . . 0.0 111.295 -176.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 47.6 t -50.0 132.3 23.06 Favored 'General case' 0 N--CA 1.487 1.39 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 176.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.6 t 154.21 -41.73 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.376 0 CA-C-N 118.899 0.772 . . . . 0.0 110.561 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 55.6 t80 -164.21 -40.63 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.85 -1.156 . . . . 0.0 110.918 -178.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.507 HD22 ' N ' ' B' ' 45' ' ' LEU . 4.0 mm? -57.19 129.57 42.33 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.635 -1.291 . . . . 0.0 107.679 -179.175 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -118.27 146.84 43.99 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 120.79 -1.194 . . . . 0.0 108.62 -179.311 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.467 HG23 ' N ' ' B' ' 48' ' ' GLN . 4.9 m -152.53 -37.75 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.51 0 N-CA-C 107.879 -1.156 . . . . 0.0 107.879 179.65 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.467 ' N ' HG23 ' B' ' 47' ' ' VAL . 26.8 mt-30 -70.02 -60.27 2.39 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 120.2 -0.6 . . . . 0.0 112.019 -177.857 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 47.6 pttt -70.39 -32.7 70.45 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.812 -1.18 . . . . 0.0 110.541 -179.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.508 ' N ' ' OD1' ' B' ' 50' ' ' ASP . 11.3 p-10 -88.23 83.94 6.91 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.252 -0.905 . . . . 0.0 109.448 -179.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.97 -39.96 93.94 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.632 -0.667 . . . . 0.0 109.897 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -60.04 -40.0 87.89 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.256 -0.903 . . . . 0.0 109.026 -179.463 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.23 -36.47 83.74 Favored 'General case' 0 C--N 1.297 -1.702 0 O-C-N 121.425 -0.797 . . . . 0.0 111.955 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 25.1 t -71.59 -56.06 11.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.579 0 O-C-N 120.78 -1.2 . . . . 0.0 111.446 -178.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 75.3 m-20 -63.35 -43.69 96.98 Favored 'General case' 0 C--N 1.293 -1.862 0 O-C-N 120.491 -1.381 . . . . 0.0 111.351 -176.697 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 19.1 mmmt -70.02 -40.06 75.45 Favored 'General case' 0 C--N 1.295 -1.763 0 O-C-N 121.464 -0.772 . . . . 0.0 112.445 -178.242 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.557 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.1 mt -78.04 -50.12 20.22 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.488 0 O-C-N 120.806 -1.183 . . . . 0.0 110.411 -177.839 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 7.1 tpt -62.33 -42.97 99.82 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.319 -0.863 . . . . 0.0 111.43 -178.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.91 -34.82 71.91 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.932 -1.105 . . . . 0.0 110.383 -179.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 75.2 mm-40 -93.36 -27.14 16.94 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.15 -0.968 . . . . 0.0 109.912 -179.216 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.557 ' N ' ' O ' ' B' ' 57' ' ' ILE . 39.7 tp -70.97 -35.14 72.02 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 105.044 -2.206 . . . . 0.0 105.044 -179.73 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.548 ' OD2' ' N ' ' B' ' 67' ' ' GLY . 18.2 t0 -76.89 56.98 1.25 Allowed 'General case' 0 N--CA 1.489 1.495 0 N-CA-C 103.591 -2.744 . . . . 0.0 103.591 174.599 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.547 ' H ' ' C ' ' B' ' 61' ' ' LEU . 21.9 pt-20 -49.93 -20.03 0.83 Allowed 'General case' 0 C--N 1.284 -2.274 0 CA-C-N 111.229 -2.714 . . . . 0.0 110.45 -176.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 90.0 m-20 -85.22 1.8 46.59 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 107.049 -1.463 . . . . 0.0 107.049 177.576 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.496 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.69 34.78 83.56 Favored Glycine 0 N--CA 1.498 2.77 0 CA-C-N 115.806 -0.634 . . . . 0.0 112.287 178.058 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.447 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.1 p-10 -99.33 -10.83 21.82 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.779 -1.424 . . . . 0.0 110.507 179.726 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.85 -5.58 74.69 Favored Glycine 0 N--CA 1.497 2.753 0 O-C-N 120.703 -1.248 . . . . 0.0 110.251 178.695 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.541 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.02 143.43 48.08 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 179.462 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 66.5 t -101.95 133.16 46.29 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.895 0 O-C-N 121.048 -1.033 . . . . 0.0 111.408 -177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.551 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 49.3 t0 -78.86 154.27 29.92 Favored 'General case' 0 C--N 1.3 -1.566 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 178.38 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.609 ' CZ ' ' CE1' ' B' ' 26' ' ' TYR . 12.8 m-85 -59.58 -39.15 83.18 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.12 -0.987 . . . . 0.0 108.67 -179.12 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 62.5 tt0 -60.21 -40.0 88.59 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 121.115 -0.991 . . . . 0.0 111.071 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 84.5 mt-10 -68.32 -39.98 81.8 Favored 'General case' 0 N--CA 1.494 1.775 0 O-C-N 120.598 -1.314 . . . . 0.0 110.572 -178.841 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.73 ' O ' HG22 ' B' ' 78' ' ' VAL . 41.6 t80 -64.35 -53.67 45.08 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.576 -0.703 . . . . 0.0 112.236 -178.183 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 9.3 p -59.03 -32.06 46.98 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.858 -0.527 . . . . 0.0 111.741 -177.112 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 57.3 t -70.0 -58.19 6.15 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.652 0 O-C-N 121.081 -1.012 . . . . 0.0 111.784 -178.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.606 HD12 ' HE1' ' D' ' 5' ' ' TRP . 8.9 tt -67.1 -43.17 83.2 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.994 -1.066 . . . . 0.0 112.558 -176.404 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.73 HG22 ' O ' ' B' ' 74' ' ' PHE . 28.8 m -64.75 -38.16 81.98 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.94 0 O-C-N 120.858 -1.152 . . . . 0.0 111.402 -178.007 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.553 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -78.61 -27.39 45.52 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.452 -0.78 . . . . 0.0 110.141 -179.216 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.38 -21.15 63.81 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 120.96 -1.087 . . . . 0.0 110.107 -179.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 15.9 mt -95.15 -39.2 10.23 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.369 -0.832 . . . . 0.0 109.454 179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.459 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.5 t -61.47 -46.84 88.34 Favored 'General case' 0 C--N 1.296 -1.748 0 C-N-CA 119.222 -0.991 . . . . 0.0 110.062 -178.876 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.483 HG13 ' N ' ' B' ' 84' ' ' ALA . 7.7 p -77.04 -40.92 30.92 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.736 0 O-C-N 121.018 -1.051 . . . . 0.0 110.503 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.483 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -59.98 -33.36 71.85 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.248 -0.908 . . . . 0.0 110.048 -179.204 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.2 t -67.36 -40.02 85.74 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.403 -0.81 . . . . 0.0 109.721 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.472 ' ND2' ' OD1' ' B' ' 92' ' ' ASN . 4.0 m120 -60.85 -40.12 91.68 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.21 -0.931 . . . . 0.0 110.656 -179.366 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 40.0 t30 -60.6 -46.88 88.59 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.029 -1.045 . . . . 0.0 111.151 -179.184 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 55.1 m-85 -64.08 -40.07 95.44 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.053 -1.029 . . . . 0.0 110.856 -178.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 1.2 t80 -103.02 105.48 15.81 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.164 -0.96 . . . . 0.0 109.175 -179.372 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 45.5 p-90 -69.99 -29.3 66.35 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.368 -0.832 . . . . 0.0 110.454 -179.892 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -69.9 -21.54 63.3 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.098 -1.001 . . . . 0.0 109.74 -179.575 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.472 ' OD1' ' ND2' ' B' ' 86' ' ' ASN . 27.3 t-20 -77.27 -1.02 27.58 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.252 -0.905 . . . . 0.0 109.425 -179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.301 -1.513 0 CA-C-O 118.019 -0.991 . . . . 0.0 109.392 -179.751 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 53.3 tttp . . . . . 0 N--CA 1.489 1.479 0 CA-C-O 121.246 0.546 . . . . 0.0 109.618 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 69.1 mttt -60.02 -42.25 93.95 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 107.873 -1.158 . . . . 0.0 107.873 -179.655 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -80.85 -24.35 38.46 Favored 'General case' 0 C--N 1.3 -1.563 0 CA-C-N 115.795 -0.639 . . . . 0.0 109.913 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 81.8 t -61.06 -40.93 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.028 -1.045 . . . . 0.0 109.646 -179.046 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.472 ' CH2' ' CD1' ' A' ' 77' ' ' LEU . 39.6 m95 -62.12 -45.34 93.9 Favored 'General case' 0 N--CA 1.488 1.438 0 O-C-N 121.209 -0.932 . . . . 0.0 110.609 -179.09 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . 0.425 ' O ' ' OG ' ' C' ' 10' ' ' SER . 81.3 t60 -59.91 -46.35 89.64 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.157 -0.965 . . . . 0.0 111.227 -178.132 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 3.9 tmtm? -59.88 -49.91 75.86 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.61 -1.306 . . . . 0.0 111.262 -178.574 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 50.7 tp -73.27 -53.54 10.62 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 120.981 -1.075 . . . . 0.0 111.627 -178.271 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 2.6 mp -70.03 -40.02 75.42 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.993 -1.067 . . . . 0.0 111.774 -178.187 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . 0.425 ' OG ' ' O ' ' C' ' 6' ' ' HIS . 24.0 p -67.98 -39.98 83.19 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.402 -1.436 . . . . 0.0 109.662 -179.642 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 58.0 mmtt -67.81 -40.05 83.91 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.241 -0.912 . . . . 0.0 109.121 179.472 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 . . . . . 0 N--CA 1.495 1.805 0 CA-C-O 118.015 -0.993 . . . . 0.0 109.196 179.797 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 52.2 tttp . . . . . 0 N--CA 1.49 1.567 0 CA-C-O 121.245 0.545 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 71.5 mttt -59.98 -42.22 93.72 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -81.09 -24.1 37.98 Favored 'General case' 0 C--N 1.298 -1.631 0 CA-C-N 115.754 -0.657 . . . . 0.0 109.947 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 87.3 t -61.18 -40.78 87.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.636 0 O-C-N 120.837 -1.164 . . . . 0.0 109.713 -179.236 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . 0.424 ' CH2' ' CD1' ' B' ' 77' ' ' LEU . 37.7 m95 -62.23 -45.41 93.48 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 121.226 -0.921 . . . . 0.0 110.588 -179.023 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . 0.411 ' O ' ' CB ' ' D' ' 10' ' ' SER . 81.4 t60 -59.94 -46.31 89.81 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.179 -0.951 . . . . 0.0 111.222 -178.244 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 4.1 tmtm? -60.04 -49.6 77.03 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.611 -1.306 . . . . 0.0 111.265 -178.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 51.5 tp -73.39 -53.56 10.43 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.007 -1.058 . . . . 0.0 111.594 -178.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.544 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.7 mp -70.04 -40.0 75.39 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.946 -1.096 . . . . 0.0 111.781 -178.098 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . 0.411 ' CB ' ' O ' ' D' ' 6' ' ' HIS . 23.4 p -67.97 -40.0 83.23 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.33 -1.481 . . . . 0.0 109.579 -179.574 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 58.9 mmtt -67.94 -40.03 83.34 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.305 -0.872 . . . . 0.0 109.12 179.556 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 . . . . . 0 N--CA 1.495 1.798 0 CA-C-O 117.996 -1.002 . . . . 0.0 109.29 179.671 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.87 0 N-CA-C 119.669 2.628 . . . . 0.0 119.669 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 81.4 p -107.63 2.12 23.69 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.556 -0.967 . . . . 0.0 108.684 178.67 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 98.4 mt-10 -61.77 -54.86 36.59 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.471 -0.768 . . . . 0.0 110.383 -179.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.559 ' CG ' HG21 ' B' ' 14' ' ' VAL . 82.6 mt -59.39 -40.06 85.35 Favored 'General case' 0 N--CA 1.504 2.238 0 O-C-N 121.374 -0.829 . . . . 0.0 110.585 -178.517 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -53.22 -42.48 66.4 Favored 'General case' 0 C--N 1.294 -1.805 0 N-CA-C 107.581 -1.266 . . . . 0.0 107.581 179.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.707 HG22 HG21 ' B' ' 10' ' ' THR . 0.3 OUTLIER -71.54 -33.84 69.5 Favored 'General case' 0 C--N 1.299 -1.607 0 CA-C-N 115.959 -0.564 . . . . 0.0 109.646 179.084 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -54.09 -52.8 59.84 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.007 -1.058 . . . . 0.0 109.761 -178.139 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.442 ' CE ' HD21 ' B' ' 86' ' ' ASN . 27.4 ttt -59.97 -40.06 87.77 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.262 -0.899 . . . . 0.0 111.009 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.504 ' O ' ' ND2' ' A' ' 13' ' ' ASN . 74.8 mm-40 -62.18 -40.02 94.62 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 120.966 -1.084 . . . . 0.0 110.547 -179.276 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.691 HG21 HG22 ' B' ' 6' ' ' THR . 2.3 p -69.92 -44.63 69.23 Favored 'General case' 0 C--N 1.297 -1.713 0 CA-C-O 121.661 0.743 . . . . 0.0 110.479 -178.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.528 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 94.6 mt -60.03 -41.91 93.27 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.85 -0.531 . . . . 0.0 112.131 -178.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 36.5 mt -82.47 -26.48 8.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.791 0 O-C-N 120.904 -1.123 . . . . 0.0 111.289 -178.062 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.504 ' ND2' ' O ' ' A' ' 9' ' ' GLU . 95.6 m-20 -62.48 -40.01 95.28 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.453 -1.404 . . . . 0.0 109.938 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.56 HG22 ' O ' ' A' ' 10' ' ' THR . 2.1 m -83.57 -35.13 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.919 0 O-C-N 121.788 -0.57 . . . . 0.0 111.275 -179.434 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.528 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 7.1 m-30 -59.9 -52.62 64.66 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.883 -1.136 . . . . 0.0 110.73 -178.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 81.3 t60 -77.27 -24.95 50.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.392 -0.817 . . . . 0.0 111.539 -178.114 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.28 -60.46 2.22 Favored 'General case' 0 N--CA 1.487 1.416 0 O-C-N 120.49 -1.381 . . . . 0.0 110.816 -178.441 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 36.2 t-80 -70.41 -39.69 74.31 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.833 -1.167 . . . . 0.0 111.436 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' A' ' 27' ' ' LYS . 35.0 t -57.08 -18.36 14.21 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 121.071 -1.018 . . . . 0.0 110.833 -178.778 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -118.99 20.06 9.97 Favored Glycine 0 N--CA 1.504 3.169 0 N-CA-C 109.96 -1.256 . . . . 0.0 109.96 -179.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 12.3 tppt? -68.12 -23.43 64.9 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.066 -1.256 . . . . 0.0 109.712 -179.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 76.5 mm-40 -100.02 9.08 43.45 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.191 -0.943 . . . . 0.0 109.879 -179.296 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.25 31.84 50.38 Favored Glycine 0 N--CA 1.492 2.424 0 N-CA-C 109.633 -1.387 . . . . 0.0 109.633 179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -96.41 44.7 1.06 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.341 -1.094 . . . . 0.0 109.816 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 67.3 mttm 49.48 -128.0 2.12 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.885 -1.134 . . . . 0.0 108.79 -178.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.527 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 25.6 p90 -128.38 77.92 1.8 Allowed 'General case' 0 N--CA 1.5 2.033 0 CA-C-O 122.46 1.124 . . . . 0.0 109.775 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' A' ' 19' ' ' SER . 48.7 tptt -143.27 142.39 31.35 Favored 'General case' 0 C--N 1.301 -1.532 0 N-CA-C 106.126 -1.805 . . . . 0.0 106.126 178.042 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.416 HD12 ' HA ' ' A' ' 28' ' ' LEU . 34.0 tp -94.05 148.18 22.42 Favored 'General case' 0 C--N 1.301 -1.529 0 N-CA-C 108.034 -1.099 . . . . 0.0 108.034 179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 28.7 t -131.38 165.59 23.15 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.521 -0.737 . . . . 0.0 109.414 -178.369 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 69.5 tttt -57.19 -41.11 78.71 Favored 'General case' 0 N--CA 1.491 1.615 0 C-N-CA 119.024 -1.07 . . . . 0.0 110.726 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.9 tttt -74.46 -32.05 62.45 Favored 'General case' 0 N--CA 1.499 1.987 0 O-C-N 120.507 -1.371 . . . . 0.0 109.937 -179.586 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' A' ' 29' ' ' SER . 99.3 mt-10 -75.61 -40.78 55.87 Favored 'General case' 0 N--CA 1.493 1.684 0 N-CA-C 108.212 -1.033 . . . . 0.0 108.212 178.488 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.695 ' C ' HD23 ' A' ' 33' ' ' LEU . 2.4 tt -59.99 -45.81 91.5 Favored 'General case' 0 N--CA 1.496 1.835 0 CA-C-O 121.583 0.706 . . . . 0.0 111.364 179.062 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.611 ' N ' HD23 ' A' ' 33' ' ' LEU . 83.2 tttt -62.56 -44.41 96.41 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.546 -0.721 . . . . 0.0 112.266 -177.251 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.435 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 56.9 t0 -72.13 -28.77 63.48 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 120.984 -1.072 . . . . 0.0 109.358 -179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 58.9 tp -62.03 -39.98 94.16 Favored 'General case' 0 C--N 1.29 -2.005 0 O-C-N 121.548 -0.72 . . . . 0.0 111.513 -178.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 80.3 mt -84.89 -35.26 22.28 Favored 'General case' 0 N--CA 1.507 2.389 0 O-C-N 120.674 -1.266 . . . . 0.0 113.648 -178.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.487 ' CD ' ' NE2' ' A' ' 48' ' ' GLN . 3.5 pt20 -70.03 -40.05 75.4 Favored 'General case' 0 C--N 1.299 -1.614 0 O-C-N 120.394 -1.441 . . . . 0.0 110.998 -177.168 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.452 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 69.1 m -78.04 -58.07 3.46 Favored 'General case' 0 C--N 1.304 -1.395 0 C-N-CA 119.465 -0.894 . . . . 0.0 111.478 -177.185 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.59 ' CB ' HD12 ' B' ' 4' ' ' LEU . 57.4 mp0 -73.46 -51.24 17.88 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.295 -0.878 . . . . 0.0 111.089 -178.426 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.6 mt -101.8 66.22 1.04 Allowed 'General case' 0 N--CA 1.504 2.229 0 O-C-N 121.081 -1.012 . . . . 0.0 108.712 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 8.9 t -79.82 -20.85 45.13 Favored 'General case' 0 N--CA 1.492 1.663 0 N-CA-C 112.486 0.55 . . . . 0.0 112.486 -178.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 44.3 t -103.03 -5.22 23.58 Favored 'General case' 0 N--CA 1.506 2.356 0 O-C-N 120.699 -1.251 . . . . 0.0 112.845 -177.12 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.09 -93.41 0.47 Allowed 'General case' 0 N--CA 1.504 2.27 0 O-C-N 120.629 -1.294 . . . . 0.0 110.073 -179.172 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 5.3 mt -60.04 130.6 47.53 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.192 -0.943 . . . . 0.0 108.521 179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.83 166.88 14.85 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.523 -0.918 . . . . 0.0 108.523 -179.363 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 54' ' ' VAL . 7.5 m -154.82 -38.75 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.872 0 N-CA-C 106.186 -1.783 . . . . 0.0 106.186 179.528 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.487 ' NE2' ' CD ' ' A' ' 38' ' ' GLN . 97.9 mt-30 -70.13 -35.98 74.46 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 115.331 -0.85 . . . . 0.0 112.663 -179.206 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' NZ ' ' OD2' ' A' ' 50' ' ' ASP . 18.9 pttp -59.98 -39.97 87.51 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.533 -1.354 . . . . 0.0 110.724 -177.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.492 ' OD2' ' NZ ' ' A' ' 49' ' ' LYS . 86.5 m-20 -123.67 120.31 32.37 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.397 -0.814 . . . . 0.0 110.18 -179.681 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.89 -32.25 71.77 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 107.931 -1.137 . . . . 0.0 107.931 178.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.558 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 3.3 p30 -61.5 -34.85 76.2 Favored 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 108.716 -0.846 . . . . 0.0 108.716 179.389 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.558 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -64.96 -39.95 94.26 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.283 -0.886 . . . . 0.0 110.836 179.841 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 47' ' ' VAL . 54.6 t -69.99 -56.83 9.94 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 O-C-N 121.309 -0.87 . . . . 0.0 112.281 -177.567 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 65.8 t0 -64.74 -41.51 95.89 Favored 'General case' 0 C--N 1.294 -1.846 0 O-C-N 120.661 -1.274 . . . . 0.0 111.311 -176.613 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 95.4 mttt -70.01 -38.77 76.05 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.905 -1.122 . . . . 0.0 111.639 -177.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.446 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 88.7 mt -76.28 -53.04 16.2 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.532 0 O-C-N 121.181 -0.949 . . . . 0.0 110.288 -178.219 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.74 -44.46 96.85 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.645 -0.659 . . . . 0.0 112.665 -177.345 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 5.7 mptp? -70.03 -37.71 75.66 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.642 -1.286 . . . . 0.0 109.895 -179.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -86.94 -15.96 37.31 Favored 'General case' 0 N--CA 1.488 1.444 0 O-C-N 121.047 -1.033 . . . . 0.0 108.904 -179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.467 ' C ' ' H ' ' A' ' 63' ' ' GLU . 54.0 tp -89.88 -15.61 31.81 Favored 'General case' 0 N--CA 1.499 2.021 0 N-CA-C 106.512 -1.662 . . . . 0.0 106.512 178.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.579 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 10.2 t70 -92.13 51.14 1.75 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 102.695 -3.076 . . . . 0.0 102.695 174.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.467 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.2 tt0 -49.42 -26.03 2.98 Favored 'General case' 0 C--N 1.292 -1.928 0 CA-C-N 110.472 -3.058 . . . . 0.0 111.032 -177.255 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -82.44 -2.36 52.96 Favored 'General case' 0 N--CA 1.491 1.612 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.34 32.35 83.89 Favored Glycine 0 N--CA 1.492 2.425 0 C-N-CA 120.887 -0.673 . . . . 0.0 112.108 177.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 15.6 p-10 -99.02 -11.91 21.07 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.845 -1.385 . . . . 0.0 109.785 179.086 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.579 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.92 -11.63 46.87 Favored Glycine 0 N--CA 1.498 2.773 0 O-C-N 120.816 -1.177 . . . . 0.0 110.549 178.334 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.411 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 96.9 mt-10 -126.91 141.2 51.87 Favored 'General case' 0 C--N 1.314 -0.977 0 N-CA-C 108.125 -1.065 . . . . 0.0 108.125 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.939 HG12 ' H ' ' A' ' 71' ' ' PHE . 53.3 t -102.27 143.85 14.28 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.772 0 O-C-N 121.605 -0.684 . . . . 0.0 109.962 -178.222 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' A' ' 71' ' ' PHE . 48.7 t0 -90.68 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 121.046 -1.034 . . . . 0.0 109.921 -179.558 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.939 ' H ' HG12 ' A' ' 69' ' ' VAL . 38.3 m-85 101.92 -25.27 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.651 0 N-CA-C 109.032 -0.729 . . . . 0.0 109.032 -179.231 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.25 -40.14 74.61 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 120.576 -1.327 . . . . 0.0 108.526 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.493 ' HB2' HG13 ' A' ' 69' ' ' VAL . 96.0 mt-10 -72.09 -41.52 67.2 Favored 'General case' 0 N--CA 1.493 1.697 0 CA-C-O 121.703 0.763 . . . . 0.0 110.703 -179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.692 ' O ' HG22 ' A' ' 78' ' ' VAL . 35.6 t80 -65.74 -51.6 57.92 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 121.581 -0.7 . . . . 0.0 112.442 -178.178 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.485 HG13 ' N ' ' A' ' 76' ' ' VAL . 7.9 p -60.22 -39.92 82.11 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.821 -0.549 . . . . 0.0 112.203 -178.04 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.485 ' N ' HG13 ' A' ' 75' ' ' VAL . 42.5 t -66.18 -59.16 4.32 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.33 -0.857 . . . . 0.0 111.849 -177.711 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.472 ' CD1' ' CH2' ' C' ' 5' ' ' TRP . 5.4 tp -66.51 -42.69 86.95 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.037 -1.039 . . . . 0.0 113.172 -175.552 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.692 HG22 ' O ' ' A' ' 74' ' ' PHE . 17.4 m -64.24 -39.96 87.36 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.797 0 O-C-N 121.16 -0.962 . . . . 0.0 111.663 -177.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.581 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -71.8 -28.94 63.94 Favored 'General case' 0 C--N 1.296 -1.744 0 O-C-N 121.467 -0.771 . . . . 0.0 109.317 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -60.23 -26.81 66.71 Favored 'General case' 0 N--CA 1.489 1.489 0 N-CA-C 108.393 -0.966 . . . . 0.0 108.393 179.348 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.46 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 84.9 mt -87.86 -23.01 24.11 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 121.235 -0.915 . . . . 0.0 108.787 178.814 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 95.9 m -65.82 -53.89 34.1 Favored 'General case' 0 C--N 1.299 -1.589 0 C-N-CA 118.99 -1.084 . . . . 0.0 109.663 -178.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -79.35 -40.29 21.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.849 0 O-C-N 121.404 -0.81 . . . . 0.0 110.619 -179.615 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.0 -39.82 87.11 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.392 -0.817 . . . . 0.0 110.459 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.46 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 90.5 m -65.31 -39.99 93.2 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.339 -0.851 . . . . 0.0 109.574 -179.893 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.52 HD21 ' CE ' ' B' ' 8' ' ' MET . 98.5 m-20 -60.03 -40.0 87.8 Favored 'General case' 0 N--CA 1.488 1.429 0 O-C-N 121.258 -0.901 . . . . 0.0 109.827 179.781 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.21 -40.61 90.74 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.27 -0.894 . . . . 0.0 110.614 -179.044 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 89' ' ' PHE . 53.7 m-85 -74.86 -21.74 59.08 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.004 -1.06 . . . . 0.0 109.596 -179.877 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.452 ' CD1' ' O ' ' A' ' 86' ' ' ASN . 60.9 m-85 54.99 103.38 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.468 -0.77 . . . . 0.0 109.247 -179.73 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -59.99 -33.94 72.65 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.285 -0.884 . . . . 0.0 108.673 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 96.6 mt-10 -60.01 -38.61 83.15 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.562 -0.711 . . . . 0.0 110.0 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -67.34 -32.45 73.41 Favored 'General case' 0 C--N 1.305 -1.331 0 N-CA-C 108.19 -1.041 . . . . 0.0 108.19 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 N--CA 1.488 1.453 0 CA-C-O 117.968 -1.015 . . . . 0.0 109.601 -179.12 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.895 0 N-CA-C 119.457 2.543 . . . . 0.0 119.457 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -107.37 2.02 24.12 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 121.544 -0.974 . . . . 0.0 108.627 178.664 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 98.5 mt-10 -61.61 -54.74 38.83 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.416 -0.802 . . . . 0.0 110.4 -179.424 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.59 HD12 ' CB ' ' A' ' 40' ' ' GLU . 83.7 mt -59.83 -39.98 86.96 Favored 'General case' 0 N--CA 1.505 2.29 0 O-C-N 121.263 -0.898 . . . . 0.0 110.37 -178.322 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 89.3 tt0 -52.94 -43.06 66.02 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 107.576 -1.268 . . . . 0.0 107.576 179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.691 HG22 HG21 ' A' ' 10' ' ' THR . 0.3 OUTLIER -71.07 -32.63 69.36 Favored 'General case' 0 C--N 1.297 -1.688 0 CA-C-N 115.878 -0.601 . . . . 0.0 109.461 178.996 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.421 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -55.79 -51.82 66.13 Favored 'General case' 0 N--CA 1.488 1.456 0 O-C-N 120.841 -1.162 . . . . 0.0 109.532 -176.082 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.52 ' CE ' HD21 ' A' ' 86' ' ' ASN . 27.4 ttt -59.87 -40.1 87.5 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.58 -0.7 . . . . 0.0 110.928 -179.738 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.505 ' O ' ' ND2' ' B' ' 13' ' ' ASN . 74.8 mm-40 -62.24 -40.07 94.92 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.917 -1.115 . . . . 0.0 110.446 -179.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.707 HG21 HG22 ' A' ' 6' ' ' THR . 2.8 p -69.96 -44.61 69.16 Favored 'General case' 0 C--N 1.295 -1.777 0 CA-C-O 121.577 0.703 . . . . 0.0 110.407 -178.416 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 94.0 mt -60.03 -41.63 92.64 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.855 -0.528 . . . . 0.0 112.165 -178.02 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 37.5 mt -81.92 -28.92 9.73 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 120.746 -1.221 . . . . 0.0 110.963 -178.09 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.505 ' ND2' ' O ' ' B' ' 9' ' ' GLU . 96.2 m-20 -60.33 -40.05 89.24 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 120.66 -1.275 . . . . 0.0 109.904 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.568 HG22 ' O ' ' B' ' 10' ' ' THR . 2.1 m -84.14 -34.94 10.4 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.924 0 O-C-N 121.756 -0.59 . . . . 0.0 111.331 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 7.2 m-30 -59.94 -52.28 66.08 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.011 -1.055 . . . . 0.0 110.709 -178.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 81.1 t60 -77.56 -24.66 49.77 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 121.383 -0.823 . . . . 0.0 111.551 -178.097 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.59 -60.77 2.07 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.559 -1.338 . . . . 0.0 110.708 -178.532 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 35.8 t-80 -70.1 -39.78 75.33 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.746 -1.221 . . . . 0.0 111.412 -178.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.458 ' OG ' ' O ' ' B' ' 27' ' ' LYS . 34.8 t -56.88 -18.42 13.08 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 121.026 -1.046 . . . . 0.0 110.859 -178.757 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.01 19.79 10.04 Favored Glycine 0 N--CA 1.503 3.143 0 N-CA-C 109.912 -1.275 . . . . 0.0 109.912 -179.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 12.2 tppt? -67.84 -23.34 65.15 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.128 -1.219 . . . . 0.0 109.839 -179.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.6 mm-40 -100.06 9.17 43.28 Favored 'General case' 0 N--CA 1.499 1.975 0 O-C-N 121.179 -0.951 . . . . 0.0 109.812 -179.285 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 77.14 32.07 50.05 Favored Glycine 0 N--CA 1.493 2.499 0 N-CA-C 109.648 -1.381 . . . . 0.0 109.648 179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.2 m-20 -96.57 44.69 1.06 Allowed 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.428 -1.042 . . . . 0.0 109.915 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 67.5 mttm 49.35 -127.9 2.1 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.002 -1.061 . . . . 0.0 108.644 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.528 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 24.9 p90 -128.41 78.11 1.82 Allowed 'General case' 0 N--CA 1.501 2.091 0 CA-C-O 122.386 1.089 . . . . 0.0 109.727 179.88 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.458 ' O ' ' OG ' ' B' ' 19' ' ' SER . 49.2 tptt -143.34 142.41 31.29 Favored 'General case' 0 C--N 1.301 -1.539 0 N-CA-C 106.14 -1.8 . . . . 0.0 106.14 178.011 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.408 HD12 ' HA ' ' B' ' 28' ' ' LEU . 33.6 tp -93.99 148.2 22.39 Favored 'General case' 0 C--N 1.3 -1.581 0 N-CA-C 108.056 -1.09 . . . . 0.0 108.056 179.532 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.499 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 29.2 t -131.93 164.39 26.23 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 121.576 -0.702 . . . . 0.0 109.47 -178.346 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.4 tttt -56.1 -41.14 74.76 Favored 'General case' 0 N--CA 1.491 1.595 0 C-N-CA 119.015 -1.074 . . . . 0.0 110.704 -179.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -75.16 -31.24 60.95 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 120.431 -1.418 . . . . 0.0 109.763 -179.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.499 ' HB2' ' H ' ' B' ' 29' ' ' SER . 99.3 mt-10 -75.7 -40.66 55.37 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 108.253 -1.017 . . . . 0.0 108.253 178.081 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.696 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.4 tt -60.01 -46.2 90.28 Favored 'General case' 0 N--CA 1.497 1.887 0 CA-C-O 121.609 0.719 . . . . 0.0 111.272 179.065 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.621 ' N ' HD23 ' B' ' 33' ' ' LEU . 82.9 tttt -62.01 -44.67 96.24 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.498 -0.751 . . . . 0.0 112.282 -177.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.433 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.8 t0 -72.18 -28.55 63.29 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 120.983 -1.073 . . . . 0.0 109.38 -179.697 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.457 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 58.6 tp -62.13 -40.02 94.52 Favored 'General case' 0 C--N 1.291 -1.969 0 O-C-N 121.556 -0.715 . . . . 0.0 111.577 -179.119 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 80.0 mt -84.74 -35.89 22.15 Favored 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.676 -1.265 . . . . 0.0 113.53 -178.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.47 ' CD ' ' NE2' ' B' ' 48' ' ' GLN . 3.5 pt20 -69.54 -39.97 77.16 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 120.368 -1.458 . . . . 0.0 111.058 -177.107 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 63.4 m -78.06 -58.29 3.34 Favored 'General case' 0 C--N 1.303 -1.45 0 C-N-CA 119.468 -0.893 . . . . 0.0 111.409 -177.159 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.559 ' CB ' HD12 ' A' ' 4' ' ' LEU . 57.7 mp0 -73.43 -51.1 18.45 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.387 -0.821 . . . . 0.0 111.126 -178.41 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.5 mt -101.88 66.27 1.03 Allowed 'General case' 0 N--CA 1.503 2.223 0 O-C-N 121.083 -1.01 . . . . 0.0 108.66 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 9.2 t -79.98 -20.52 45.33 Favored 'General case' 0 N--CA 1.492 1.647 0 N-CA-C 112.526 0.565 . . . . 0.0 112.526 -178.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.0 t -103.36 -4.65 23.88 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.749 -1.219 . . . . 0.0 112.864 -177.224 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -127.47 -93.43 0.47 Allowed 'General case' 0 N--CA 1.505 2.313 0 O-C-N 120.803 -1.186 . . . . 0.0 110.012 -179.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 5.0 mt -60.1 130.81 48.54 Favored 'General case' 0 C--N 1.302 -1.499 0 N-CA-C 108.478 -0.934 . . . . 0.0 108.478 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -124.04 166.83 15.07 Favored 'General case' 0 N--CA 1.493 1.694 0 N-CA-C 108.46 -0.941 . . . . 0.0 108.46 -179.36 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.557 ' HB ' HG22 ' B' ' 54' ' ' VAL . 6.6 m -154.87 -38.9 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.293 -1.865 0 N-CA-C 106.107 -1.812 . . . . 0.0 106.107 179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.478 ' N ' HG23 ' B' ' 47' ' ' VAL . 97.8 mt-30 -70.07 -36.13 74.72 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.358 -0.837 . . . . 0.0 112.73 -179.177 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.495 ' NZ ' ' OD2' ' B' ' 50' ' ' ASP . 18.8 pttp -59.8 -39.95 86.69 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 120.558 -1.339 . . . . 0.0 110.707 -177.048 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.495 ' OD2' ' NZ ' ' B' ' 49' ' ' LYS . 86.7 m-20 -123.8 120.09 31.63 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 121.308 -0.87 . . . . 0.0 110.246 -179.597 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -68.78 -31.8 71.08 Favored 'General case' 0 C--N 1.302 -1.49 0 N-CA-C 107.904 -1.147 . . . . 0.0 107.904 178.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.546 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 3.3 p30 -62.22 -34.21 76.05 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 108.711 -0.848 . . . . 0.0 108.711 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.546 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.2 -37.11 84.79 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.458 -0.776 . . . . 0.0 111.156 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.557 HG22 ' HB ' ' B' ' 47' ' ' VAL . 56.7 t -72.25 -56.5 9.82 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.674 0 O-C-N 121.193 -0.942 . . . . 0.0 112.201 -178.268 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 65.7 t0 -64.75 -41.49 95.88 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 120.817 -1.177 . . . . 0.0 111.278 -176.736 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 96.1 mttt -70.05 -38.77 75.89 Favored 'General case' 0 C--N 1.291 -1.944 0 O-C-N 121.026 -1.046 . . . . 0.0 111.543 -177.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.435 ' O ' ' CB ' ' B' ' 61' ' ' LEU . 88.7 mt -76.35 -53.15 15.91 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.536 0 O-C-N 121.232 -0.917 . . . . 0.0 110.298 -178.175 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -61.1 -45.08 96.17 Favored 'General case' 0 C--N 1.295 -1.803 0 N-CA-C 112.815 0.672 . . . . 0.0 112.815 -177.607 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 5.8 mptp? -70.0 -37.64 75.74 Favored 'General case' 0 N--CA 1.5 2.06 0 O-C-N 120.728 -1.232 . . . . 0.0 109.968 -178.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.0 mt-10 -86.89 -16.0 37.33 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.112 -0.993 . . . . 0.0 108.908 -179.488 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.465 ' C ' ' H ' ' B' ' 63' ' ' GLU . 55.1 tp -89.91 -15.52 31.92 Favored 'General case' 0 N--CA 1.501 2.096 0 N-CA-C 106.604 -1.628 . . . . 0.0 106.604 178.645 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.59 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 10.2 t70 -92.16 51.19 1.75 Allowed 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 102.661 -3.089 . . . . 0.0 102.661 173.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.465 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.0 tt0 -49.29 -26.07 2.8 Favored 'General case' 0 C--N 1.29 -1.987 0 CA-C-N 110.393 -3.094 . . . . 0.0 111.04 -177.325 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -82.37 -2.63 53.55 Favored 'General case' 0 N--CA 1.492 1.626 0 N-CA-C 107.29 -1.374 . . . . 0.0 107.29 178.292 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.448 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.32 32.27 83.65 Favored Glycine 0 N--CA 1.492 2.402 0 C-N-CA 120.857 -0.687 . . . . 0.0 112.078 177.714 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.537 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 16.4 p-10 -98.72 -12.0 21.4 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.79 -1.418 . . . . 0.0 109.678 178.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.59 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.83 -11.54 46.73 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 119.839 -1.172 . . . . 0.0 110.406 178.406 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.409 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.5 mt-10 -126.44 142.47 51.52 Favored 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 179.824 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.95 HG12 ' H ' ' B' ' 71' ' ' PHE . 53.8 t -103.06 144.14 14.25 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.79 0 O-C-N 121.432 -0.793 . . . . 0.0 109.848 -178.568 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.537 ' O ' ' CD2' ' B' ' 71' ' ' PHE . 48.8 t0 -90.65 -1.19 57.88 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.071 -1.018 . . . . 0.0 109.912 -179.498 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.95 ' H ' HG12 ' B' ' 69' ' ' VAL . 38.0 m-85 101.81 -25.23 0.02 OUTLIER 'General case' 0 N--CA 1.512 2.667 0 N-CA-C 108.995 -0.743 . . . . 0.0 108.995 -179.183 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 -70.18 -40.15 74.82 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 120.601 -1.312 . . . . 0.0 108.682 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.508 ' HB2' HG13 ' B' ' 69' ' ' VAL . 96.3 mt-10 -72.08 -41.38 67.39 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.486 -0.759 . . . . 0.0 110.725 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.682 ' O ' HG22 ' B' ' 78' ' ' VAL . 36.6 t80 -65.89 -51.84 55.27 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.611 -0.681 . . . . 0.0 112.364 -178.095 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.492 HG13 ' N ' ' B' ' 76' ' ' VAL . 7.9 p -59.96 -40.09 82.0 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.859 0 O-C-N 121.888 -0.508 . . . . 0.0 112.137 -178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.492 ' N ' HG13 ' B' ' 75' ' ' VAL . 41.4 t -66.1 -59.33 4.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.219 -0.925 . . . . 0.0 111.834 -177.616 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.424 ' CD1' ' CH2' ' D' ' 5' ' ' TRP . 5.5 tp -66.23 -42.82 88.14 Favored 'General case' 0 N--CA 1.499 1.99 0 O-C-N 121.065 -1.022 . . . . 0.0 113.124 -175.747 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.682 HG22 ' O ' ' B' ' 74' ' ' PHE . 17.0 m -64.3 -39.67 86.35 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 O-C-N 121.033 -1.042 . . . . 0.0 111.596 -177.399 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.583 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -71.96 -29.14 63.96 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.492 -0.755 . . . . 0.0 109.372 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -62.1 -20.96 64.58 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.475 -0.766 . . . . 0.0 108.948 179.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.469 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 89.8 mt -92.72 -22.85 19.15 Favored 'General case' 0 N--CA 1.499 1.992 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.493 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.6 m -66.11 -53.48 37.42 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 118.918 -1.113 . . . . 0.0 109.604 -178.304 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.415 ' H ' HG23 ' B' ' 83' ' ' VAL . 2.1 t -79.69 -40.36 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.7 0 O-C-N 121.251 -0.905 . . . . 0.0 110.705 -179.667 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.03 -39.84 87.27 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.328 -0.858 . . . . 0.0 110.46 -178.313 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.469 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 93.8 m -65.26 -39.98 93.36 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.349 -0.844 . . . . 0.0 109.494 -179.847 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.46 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 98.6 m-20 -60.12 -39.96 88.07 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.292 -0.88 . . . . 0.0 109.723 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 94.1 m-20 -60.17 -40.81 91.23 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.142 -0.974 . . . . 0.0 110.664 -179.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' B' ' 89' ' ' PHE . 53.7 m-85 -74.54 -21.73 59.37 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.062 -1.024 . . . . 0.0 109.493 -179.813 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.46 ' CD1' ' O ' ' B' ' 86' ' ' ASN . 61.0 m-85 54.87 103.44 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.475 -0.765 . . . . 0.0 109.198 -179.686 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 2.2 t-105 -60.01 -34.0 72.76 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.227 -0.921 . . . . 0.0 108.66 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 96.5 mt-10 -60.02 -38.68 83.41 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.583 -0.698 . . . . 0.0 109.916 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 -67.12 -32.72 74.05 Favored 'General case' 0 N--CA 1.486 1.373 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 43.1 t . . . . . 0 N--CA 1.488 1.448 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.632 -179.068 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 2.3 mptm? . . . . . 0 N--CA 1.494 1.742 0 CA-C-O 121.526 0.679 . . . . 0.0 109.185 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.23 -39.72 86.25 Favored 'General case' 0 C--N 1.296 -1.741 0 O-C-N 121.154 -0.966 . . . . 0.0 109.64 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.85 -46.88 87.54 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.468 -0.77 . . . . 0.0 113.04 -177.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 6.2 p -59.97 -39.38 80.04 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.054 0 O-C-N 120.443 -1.411 . . . . 0.0 110.504 -178.016 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.652 ' HE1' HD21 ' A' ' 81' ' ' LEU . 0.0 OUTLIER -60.87 -28.88 69.19 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.088 -1.008 . . . . 0.0 109.981 -179.145 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 35.6 m170 -60.06 -39.54 86.34 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.069 -1.02 . . . . 0.0 108.863 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.09 -55.45 32.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.337 -0.852 . . . . 0.0 110.617 -179.212 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 60.0 tp -70.68 -41.89 71.45 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.675 -1.265 . . . . 0.0 110.786 -179.429 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.2 mm? -64.39 -40.85 96.6 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.171 -0.955 . . . . 0.0 109.146 -178.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 53.9 m -59.91 -40.15 87.82 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 108.968 -0.752 . . . . 0.0 108.968 179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 65.5 mttm -126.96 55.4 1.56 Allowed 'General case' 0 N--CA 1.499 1.983 0 O-C-N 121.646 -0.659 . . . . 0.0 110.233 -179.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 . . . . . 0 N--CA 1.492 1.662 0 CA-C-O 118.092 -0.956 . . . . 0.0 109.683 179.285 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 2.1 mptm? . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 108.863 -0.791 . . . . 0.0 108.863 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 14.6 ttmm -67.23 -40.1 86.29 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 121.199 -0.938 . . . . 0.0 109.693 179.733 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.64 -47.08 87.0 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.471 -0.768 . . . . 0.0 113.041 -177.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 7.6 p -59.95 -39.21 79.52 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.001 0 O-C-N 120.333 -1.479 . . . . 0.0 110.719 -177.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . 0.788 ' HE1' HD21 ' B' ' 81' ' ' LEU . 0.0 OUTLIER -60.75 -28.96 69.1 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.002 -1.061 . . . . 0.0 109.86 -179.303 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 35.3 m170 -59.98 -39.5 85.91 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.023 -1.048 . . . . 0.0 108.91 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.22 -54.91 39.65 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.41 -0.806 . . . . 0.0 110.697 -179.242 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.6 tp -71.21 -42.53 68.83 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.618 -1.301 . . . . 0.0 110.393 -179.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.49 -41.08 98.56 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.101 -0.999 . . . . 0.0 109.147 -179.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 56.5 m -59.99 -40.04 87.77 Favored 'General case' 0 C--N 1.302 -1.486 0 N-CA-C 109.02 -0.733 . . . . 0.0 109.02 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 65.0 mttm -127.12 54.93 1.61 Allowed 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.637 -0.665 . . . . 0.0 110.24 -179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 N--CA 1.491 1.607 0 CA-C-O 118.041 -0.981 . . . . 0.0 109.74 179.104 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.895 0 N-CA-C 119.87 2.708 . . . . 0.0 119.87 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 96.9 p -104.11 -14.17 15.99 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.563 -0.963 . . . . 0.0 109.417 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.443 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.4 mt-10 -70.12 -56.77 6.04 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.249 -0.907 . . . . 0.0 110.227 179.531 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.47 ' O ' ' HB3' ' A' ' 7' ' ' ALA . 5.3 tt -46.85 -34.04 5.02 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 120.123 -1.611 . . . . 0.0 110.346 -178.346 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.5 tt0 -47.26 -42.78 21.25 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 122.313 1.054 . . . . 0.0 108.191 178.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.453 ' O ' HG22 ' A' ' 10' ' ' THR . 68.2 p -60.06 -36.15 76.71 Favored 'General case' 0 C--O 1.199 -1.561 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 178.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.47 ' HB3' ' O ' ' A' ' 4' ' ' LEU . . . -50.42 -54.25 23.33 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.501 -0.75 . . . . 0.0 111.472 -178.834 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.1 -48.12 83.04 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.558 -1.339 . . . . 0.0 112.171 -177.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -71.0 -26.86 63.32 Favored 'General case' 0 N--CA 1.508 2.462 0 O-C-N 120.714 -1.241 . . . . 0.0 114.021 -177.367 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.52 HG23 ' N ' ' A' ' 11' ' ' LEU . 4.3 t -77.82 -49.16 14.85 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.082 -1.636 . . . . 0.0 111.395 -177.192 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.52 ' N ' HG23 ' A' ' 10' ' ' THR . 1.4 pp -69.4 -34.35 74.36 Favored 'General case' 0 N--CA 1.487 1.414 0 O-C-N 121.046 -1.034 . . . . 0.0 111.777 -177.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 61.3 mt -76.31 -30.89 20.26 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.962 0 O-C-N 120.419 -1.426 . . . . 0.0 110.632 -179.481 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 54.6 t-20 -62.48 -40.1 95.59 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 120.29 -1.506 . . . . 0.0 109.196 -179.663 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.453 ' CG2' ' OE2' ' A' ' 40' ' ' GLU . 19.7 m -76.47 -31.78 20.8 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.805 0 CA-C-O 121.617 0.723 . . . . 0.0 109.642 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 46.6 t80 -59.96 -49.83 76.15 Favored 'General case' 0 C--N 1.298 -1.655 0 CA-C-O 121.817 0.818 . . . . 0.0 110.463 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 52.7 t-80 -78.37 -22.66 47.57 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.762 -0.586 . . . . 0.0 111.277 -178.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.92 2.56 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.559 -1.338 . . . . 0.0 111.189 -178.492 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.561 ' HB2' HD21 ' A' ' 36' ' ' LEU . 77.1 m80 -67.96 -40.02 83.29 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.545 -1.347 . . . . 0.0 110.185 -178.718 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 80.1 p -64.74 -13.86 56.55 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.114 -0.991 . . . . 0.0 110.802 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 12.85 60.63 Favored Glycine 0 N--CA 1.494 2.51 0 N-CA-C 109.041 -1.624 . . . . 0.0 109.041 -179.619 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 14.5 ttmm -92.34 -77.03 0.44 Allowed 'General case' 0 C--N 1.306 -1.288 0 N-CA-C 107.43 -1.322 . . . . 0.0 107.43 178.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 88.9 tt0 -109.8 85.65 2.15 Favored 'General case' 0 C--N 1.303 -1.438 0 N-CA-C 108.628 -0.878 . . . . 0.0 108.628 179.495 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 165.26 -153.04 22.92 Favored Glycine 0 N--CA 1.491 2.351 0 N-CA-C 109.547 -1.421 . . . . 0.0 109.547 -179.842 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 68.2 m-20 -96.47 167.38 11.19 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.242 -1.152 . . . . 0.0 108.585 179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 87.3 mttt -55.96 -37.79 69.49 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.186 -0.946 . . . . 0.0 111.292 -178.071 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.417 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 40.7 p90 -143.07 47.09 1.53 Allowed 'General case' 0 N--CA 1.5 2.034 0 O-C-N 120.23 -1.544 . . . . 0.0 112.592 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.6 tppt? -141.19 140.14 33.96 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 106.157 -1.794 . . . . 0.0 106.157 175.371 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.26 157.27 16.04 Favored 'General case' 0 N--CA 1.502 2.159 0 O-C-N 120.593 -1.317 . . . . 0.0 111.151 -178.369 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.5 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 96.2 p -125.03 159.91 30.23 Favored 'General case' 0 C--N 1.299 -1.624 0 N-CA-C 106.526 -1.657 . . . . 0.0 106.526 178.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.477 ' NZ ' ' OD1' ' A' ' 55' ' ' ASP . 79.0 tttt -43.84 -39.59 3.95 Favored 'General case' 0 N--CA 1.497 1.906 0 O-C-N 120.952 -1.092 . . . . 0.0 111.734 -179.13 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 87.8 tttt -81.34 -25.17 36.61 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.775 -1.203 . . . . 0.0 112.776 -177.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.5 ' HB2' ' H ' ' A' ' 29' ' ' SER . 41.0 mt-10 -77.34 -39.98 45.75 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.47 -1.394 . . . . 0.0 110.681 -179.042 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.406 HD22 HG21 ' A' ' 69' ' ' VAL . 2.7 pp -75.19 -36.88 61.39 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.444 -0.785 . . . . 0.0 110.162 -179.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.5 tttt -59.94 -40.4 88.83 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.148 -0.97 . . . . 0.0 110.664 -178.807 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.0 m-20 -74.89 -25.58 59.04 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.88 -1.138 . . . . 0.0 110.319 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.561 HD21 ' HB2' ' A' ' 18' ' ' HIS . 14.4 mt -71.08 -38.46 72.43 Favored 'General case' 0 C--N 1.297 -1.697 0 O-C-N 120.924 -1.11 . . . . 0.0 112.251 -178.87 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.562 HD13 ' CD1' ' A' ' 45' ' ' LEU . 17.3 mt -78.11 -39.99 39.65 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.69 -1.256 . . . . 0.0 111.269 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.501 ' NE2' ' C ' ' A' ' 38' ' ' GLN . 0.0 OUTLIER -66.42 -37.55 85.46 Favored 'General case' 0 C--N 1.298 -1.671 0 O-C-N 120.823 -1.173 . . . . 0.0 109.339 -179.529 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 59.2 m -76.77 -52.83 8.84 Favored 'General case' 0 C--N 1.305 -1.353 0 C-N-CA 119.737 -0.785 . . . . 0.0 110.746 -177.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.453 ' OE2' ' CG2' ' A' ' 14' ' ' VAL . 97.3 mt-10 -69.78 -47.29 63.46 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.702 -0.624 . . . . 0.0 111.953 -178.194 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.4 mt -111.59 68.3 0.66 Allowed 'General case' 0 N--CA 1.505 2.276 0 O-C-N 121.118 -0.989 . . . . 0.0 110.144 -178.442 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.497 ' O ' ' CB ' ' A' ' 43' ' ' SER . 42.5 t -76.98 138.72 39.81 Favored 'General case' 0 C--N 1.303 -1.429 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 178.551 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.497 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.5 OUTLIER 78.61 -8.08 1.7 Allowed 'General case' 0 C--N 1.297 -1.677 0 O-C-N 121.503 -0.748 . . . . 0.0 110.716 178.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 88.2 m-85 -113.66 -85.58 0.59 Allowed 'General case' 0 N--CA 1.501 2.107 0 N-CA-C 108.029 -1.1 . . . . 0.0 108.029 178.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.782 HD12 HG13 ' A' ' 78' ' ' VAL . 0.1 OUTLIER -76.4 136.7 39.48 Favored 'General case' 0 N--CA 1.489 1.481 0 N-CA-C 107.064 -1.458 . . . . 0.0 107.064 178.207 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 82.4 m-20 -118.6 151.2 38.36 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.885 -1.134 . . . . 0.0 108.627 -179.716 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.457 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 3.2 m -152.61 -38.97 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.398 0 N-CA-C 107.262 -1.384 . . . . 0.0 107.262 179.108 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.416 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 25.5 mt-30 -74.11 -40.27 62.8 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.155 -179.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.6 mtmt -64.67 -45.7 85.58 Favored 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.163 -0.961 . . . . 0.0 110.771 -178.058 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -107.64 110.56 22.46 Favored 'General case' 0 N--CA 1.496 1.861 0 CA-C-O 121.716 0.769 . . . . 0.0 110.751 -178.647 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.4 -33.45 69.48 Favored 'General case' 0 C--N 1.302 -1.483 0 N-CA-C 108.397 -0.964 . . . . 0.0 108.397 178.337 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.47 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 17.2 p-10 -67.8 -23.9 65.24 Favored 'General case' 0 C--N 1.304 -1.401 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 179.436 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.91 -39.94 65.92 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.172 -0.955 . . . . 0.0 110.543 179.332 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.457 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 12.6 t -69.72 -52.62 30.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 O-C-N 121.446 -0.784 . . . . 0.0 111.479 -178.103 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.477 ' OD1' ' NZ ' ' A' ' 30' ' ' LYS . 98.0 m-20 -59.89 -39.89 86.88 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 120.669 -1.269 . . . . 0.0 110.42 -177.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.13 -39.33 75.5 Favored 'General case' 0 C--N 1.295 -1.773 0 O-C-N 121.054 -1.029 . . . . 0.0 112.101 -177.464 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.532 ' O ' ' N ' ' A' ' 61' ' ' LEU . 1.0 OUTLIER -81.54 -52.87 13.26 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.24 0 O-C-N 120.219 -1.55 . . . . 0.0 109.842 -179.474 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.452 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.8 tmt? -60.27 -47.92 83.93 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 121.482 -0.761 . . . . 0.0 112.349 -177.013 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 68.4 mttm -68.51 -36.59 79.11 Favored 'General case' 0 N--CA 1.496 1.851 0 O-C-N 120.43 -1.419 . . . . 0.0 109.831 -178.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -88.09 -16.65 32.97 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.201 -0.937 . . . . 0.0 110.021 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.532 ' N ' ' O ' ' A' ' 57' ' ' ILE . 60.2 tp -86.64 -12.98 46.92 Favored 'General case' 0 N--CA 1.506 2.35 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.646 ' O ' ' N ' ' A' ' 65' ' ' GLY . 41.6 t0 -98.59 43.62 1.06 Allowed 'General case' 0 N--CA 1.495 1.785 0 N-CA-C 102.421 -3.177 . . . . 0.0 102.421 173.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.48 ' H ' ' C ' ' A' ' 61' ' ' LEU . 48.3 tp10 -37.57 -19.41 0.01 OUTLIER 'General case' 0 C--N 1.29 -2.011 0 CA-C-N 110.512 -3.04 . . . . 0.0 110.817 -177.452 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.541 ' N ' ' O ' ' A' ' 62' ' ' ASP . 20.5 m120 -85.61 0.12 53.48 Favored 'General case' 0 N--CA 1.496 1.852 0 O-C-N 120.615 -1.303 . . . . 0.0 107.943 178.828 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.646 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.01 38.11 94.99 Favored Glycine 0 N--CA 1.493 2.456 0 C-N-CA 121.179 -0.534 . . . . 0.0 111.839 178.553 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.46 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.9 p30 -102.13 -9.74 20.26 Favored 'General case' 0 N--CA 1.506 2.35 0 O-C-N 120.818 -1.401 . . . . 0.0 110.719 179.64 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.541 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 83.06 -9.28 60.88 Favored Glycine 0 N--CA 1.5 2.96 0 O-C-N 120.581 -1.324 . . . . 0.0 110.761 178.449 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.572 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 65.1 mt-10 -118.91 144.4 46.44 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 107.623 -1.251 . . . . 0.0 107.623 179.494 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.406 HG21 HD22 ' A' ' 33' ' ' LEU . 53.0 t -106.97 134.16 49.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.767 0 O-C-N 121.058 -1.027 . . . . 0.0 111.12 -177.211 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.423 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 14.5 t70 -84.78 160.39 20.26 Favored 'General case' 0 N--CA 1.488 1.452 0 N-CA-C 108.294 -1.002 . . . . 0.0 108.294 178.81 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.48 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 50.6 p90 -60.43 -39.63 88.17 Favored 'General case' 0 C--N 1.298 -1.639 0 O-C-N 121.024 -1.048 . . . . 0.0 110.06 179.616 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.48 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.2 tt0 -61.15 -40.01 92.23 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.504 -1.372 . . . . 0.0 110.473 -179.024 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 96.2 mt-10 -69.87 -40.09 75.92 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.717 -1.24 . . . . 0.0 111.362 -178.761 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.604 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -67.1 -49.6 64.4 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 121.011 -1.056 . . . . 0.0 111.396 -178.419 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.604 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 8.4 p -59.91 -37.38 71.81 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.799 0 O-C-N 121.198 -0.939 . . . . 0.0 111.984 -177.543 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 38.4 t -66.89 -60.8 2.14 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.698 0 O-C-N 120.722 -1.236 . . . . 0.0 111.466 -178.025 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.549 HD12 ' CZ2' ' C' ' 5' ' ' TRP . 3.8 tp -65.65 -48.92 70.53 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.854 -1.154 . . . . 0.0 111.919 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.782 HG13 HD12 ' A' ' 45' ' ' LEU . 69.9 t -60.17 -39.81 81.67 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.8 0 O-C-N 121.306 -0.872 . . . . 0.0 111.542 -178.37 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.476 ' O ' HG12 ' A' ' 83' ' ' VAL . . . -69.69 -24.5 63.6 Favored 'General case' 0 C--N 1.292 -1.911 0 C-N-CA 119.808 -0.757 . . . . 0.0 109.282 -178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -74.1 -23.79 59.37 Favored 'General case' 0 N--CA 1.495 1.79 0 O-C-N 121.326 -0.859 . . . . 0.0 110.591 179.519 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.652 HD21 ' HE1' ' C' ' 5' ' ' TRP . 50.3 mt -90.93 -47.01 7.84 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 120.912 -1.117 . . . . 0.0 111.075 -178.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.554 HG23 ' N ' ' A' ' 83' ' ' VAL . 6.4 t -60.56 -47.84 84.41 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.103 -0.998 . . . . 0.0 110.186 -178.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.554 ' N ' HG23 ' A' ' 82' ' ' THR . 9.2 p -67.07 -39.93 84.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.92 0 O-C-N 121.093 -1.004 . . . . 0.0 109.541 179.742 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.475 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -65.59 -23.92 66.95 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.682 -0.636 . . . . 0.0 109.864 -179.399 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.4 m -70.05 -40.05 75.35 Favored 'General case' 0 C--N 1.304 -1.395 0 O-C-N 120.994 -1.066 . . . . 0.0 109.965 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.2 m120 -62.39 -40.24 95.84 Favored 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.111 -0.993 . . . . 0.0 110.371 -179.608 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.8 t-20 -59.85 -44.27 94.21 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.098 -1.001 . . . . 0.0 110.441 -179.263 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 67.1 t80 -71.17 -24.15 62.19 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.084 -1.01 . . . . 0.0 110.003 -179.639 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -90.09 6.0 44.34 Favored 'General case' 0 N--CA 1.496 1.874 0 O-C-N 121.124 -0.985 . . . . 0.0 109.626 -179.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 67.3 t90 -59.61 -45.49 91.79 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.048 -1.033 . . . . 0.0 109.337 -179.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.06 -39.97 87.85 Favored 'General case' 0 N--CA 1.492 1.628 0 O-C-N 121.243 -0.911 . . . . 0.0 108.873 178.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -88.43 35.91 0.78 Allowed 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.183 -0.948 . . . . 0.0 109.987 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 48.4 t . . . . . 0 N--CA 1.492 1.652 0 CA-C-O 117.992 -1.004 . . . . 0.0 109.028 179.582 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.856 0 N-CA-C 120.177 2.831 . . . . 0.0 120.177 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 96.0 p -104.02 -14.27 16.0 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 121.24 -1.153 . . . . 0.0 109.439 179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.422 ' O ' ' C ' ' B' ' 4' ' ' LEU . 98.5 mt-10 -70.07 -56.53 6.67 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.156 -0.965 . . . . 0.0 110.084 179.549 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.473 ' O ' ' N ' ' B' ' 7' ' ' ALA . 5.7 tt -47.36 -33.81 6.25 Favored 'General case' 0 N--CA 1.499 2.012 0 O-C-N 120.1 -1.625 . . . . 0.0 110.262 -178.35 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.3 tt0 -47.06 -42.9 19.49 Favored 'General case' 0 N--CA 1.497 1.888 0 CA-C-O 122.503 1.144 . . . . 0.0 108.196 178.284 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.466 ' O ' HG22 ' B' ' 10' ' ' THR . 66.5 p -60.03 -35.07 74.3 Favored 'General case' 0 C--O 1.199 -1.594 0 N-CA-C 108.641 -0.874 . . . . 0.0 108.641 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.473 ' N ' ' O ' ' B' ' 4' ' ' LEU . . . -51.28 -53.69 33.26 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.101 0.953 . . . . 0.0 111.464 -177.477 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 1.1 tpt -60.24 -48.82 80.1 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.879 -1.138 . . . . 0.0 111.958 -177.817 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -70.58 -27.26 63.98 Favored 'General case' 0 N--CA 1.51 2.531 0 O-C-N 120.772 -1.205 . . . . 0.0 114.079 -177.589 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.539 HG23 ' N ' ' B' ' 11' ' ' LEU . 4.4 t -77.53 -49.62 14.31 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 119.935 -1.728 . . . . 0.0 111.172 -177.225 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.539 ' N ' HG23 ' B' ' 10' ' ' THR . 1.7 pp -68.74 -34.74 76.12 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.049 -1.032 . . . . 0.0 111.858 -177.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.8 mt -75.03 -33.89 30.54 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.16 0 O-C-N 120.201 -1.562 . . . . 0.0 110.347 -179.534 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -60.02 -40.13 88.23 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.601 -1.312 . . . . 0.0 109.031 -178.359 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.435 ' CG2' ' OE2' ' B' ' 40' ' ' GLU . 16.9 m -76.92 -31.6 19.08 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.826 0 CA-C-O 121.739 0.781 . . . . 0.0 109.859 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 46.9 t80 -60.2 -49.71 76.53 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-O 121.715 0.769 . . . . 0.0 110.434 -179.696 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.41 ' HA ' ' HG ' ' B' ' 19' ' ' SER . 53.9 t-80 -78.54 -22.22 47.62 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.726 -0.608 . . . . 0.0 111.376 -178.629 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.51 -59.9 2.58 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.673 -1.267 . . . . 0.0 111.217 -178.598 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.575 ' HB2' HD21 ' B' ' 36' ' ' LEU . 76.9 m80 -68.27 -39.9 82.05 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.603 -1.311 . . . . 0.0 110.361 -178.778 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.41 ' HG ' ' HA ' ' B' ' 16' ' ' HIS . 74.2 p -64.92 -13.55 57.31 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.255 -0.903 . . . . 0.0 110.655 -179.419 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.88 12.35 60.84 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 108.917 -1.673 . . . . 0.0 108.917 -179.58 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 14.8 ttmm -92.46 -76.97 0.45 Allowed 'General case' 0 N--CA 1.485 1.313 0 N-CA-C 107.786 -1.19 . . . . 0.0 107.786 179.086 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 88.8 tt0 -109.37 86.13 2.23 Favored 'General case' 0 C--N 1.304 -1.381 0 N-CA-C 108.443 -0.947 . . . . 0.0 108.443 179.486 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 164.35 -152.69 22.59 Favored Glycine 0 N--CA 1.492 2.414 0 N-CA-C 109.716 -1.354 . . . . 0.0 109.716 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -96.33 167.42 11.19 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.262 -1.14 . . . . 0.0 108.851 179.671 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 85.8 mttt -56.48 -37.93 71.03 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.219 -0.926 . . . . 0.0 111.076 -178.022 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.425 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 39.0 p90 -142.92 47.97 1.52 Allowed 'General case' 0 N--CA 1.499 1.994 0 O-C-N 120.246 -1.534 . . . . 0.0 112.627 -179.145 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 7.0 tppt? -142.04 140.32 32.58 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 106.052 -1.833 . . . . 0.0 106.052 175.354 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.0 mm? -97.27 157.19 16.09 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.684 -1.26 . . . . 0.0 111.132 -178.312 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.496 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 88.6 p -125.05 159.76 30.61 Favored 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 106.517 -1.66 . . . . 0.0 106.517 178.007 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.423 ' NZ ' ' OD1' ' B' ' 55' ' ' ASP . 78.3 tttt -43.77 -39.75 3.95 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.907 -1.121 . . . . 0.0 111.74 -179.082 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -80.48 -25.38 38.84 Favored 'General case' 0 N--CA 1.504 2.251 0 O-C-N 120.805 -1.185 . . . . 0.0 112.666 -178.063 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.496 ' HB2' ' H ' ' B' ' 29' ' ' SER . 41.1 mt-10 -77.52 -40.01 44.14 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 120.512 -1.367 . . . . 0.0 110.871 -178.816 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.413 HD22 HG21 ' B' ' 69' ' ' VAL . 2.6 pp -75.28 -36.93 61.12 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.508 -0.745 . . . . 0.0 110.119 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 87.9 tttt -59.9 -40.23 88.07 Favored 'General case' 0 N--CA 1.489 1.479 0 O-C-N 121.065 -1.022 . . . . 0.0 110.752 -178.701 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -74.97 -25.29 58.75 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.814 -1.179 . . . . 0.0 110.286 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.575 HD21 ' HB2' ' B' ' 18' ' ' HIS . 14.3 mt -71.44 -38.12 71.37 Favored 'General case' 0 C--N 1.297 -1.707 0 O-C-N 120.918 -1.114 . . . . 0.0 112.31 -178.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.571 HD13 ' CD1' ' B' ' 45' ' ' LEU . 15.9 mt -78.26 -41.02 35.33 Favored 'General case' 0 N--CA 1.5 2.051 0 O-C-N 120.591 -1.318 . . . . 0.0 110.934 -177.688 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.496 ' NE2' ' C ' ' B' ' 38' ' ' GLN . 0.0 OUTLIER -64.85 -37.81 88.87 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.992 -1.067 . . . . 0.0 109.273 -179.188 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 68.4 m -76.92 -52.89 8.62 Favored 'General case' 0 C--N 1.305 -1.331 0 C-N-CA 119.629 -0.828 . . . . 0.0 110.692 -177.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.435 ' OE2' ' CG2' ' B' ' 14' ' ' VAL . 97.2 mt-10 -69.93 -47.02 64.02 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.689 -0.632 . . . . 0.0 111.992 -178.073 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 3.2 mt -111.64 68.02 0.66 Allowed 'General case' 0 N--CA 1.502 2.142 0 O-C-N 121.209 -0.932 . . . . 0.0 110.111 -178.399 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.499 ' O ' ' CB ' ' B' ' 43' ' ' SER . 44.9 t -76.7 138.39 39.97 Favored 'General case' 0 C--N 1.302 -1.482 0 N-CA-C 108.67 -0.863 . . . . 0.0 108.67 178.705 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.499 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 78.93 -7.78 1.73 Allowed 'General case' 0 C--N 1.297 -1.694 0 O-C-N 121.429 -0.794 . . . . 0.0 110.809 178.851 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 88.7 m-85 -113.99 -85.91 0.59 Allowed 'General case' 0 N--CA 1.501 2.098 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 178.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.768 HD12 HG13 ' B' ' 78' ' ' VAL . 0.1 OUTLIER -76.06 137.09 39.96 Favored 'General case' 0 N--CA 1.487 1.402 0 N-CA-C 106.959 -1.496 . . . . 0.0 106.959 178.16 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 84.4 m-20 -118.7 151.27 38.28 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.001 -1.062 . . . . 0.0 108.612 -179.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.441 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 3.1 m -152.41 -39.77 0.06 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 N-CA-C 107.361 -1.348 . . . . 0.0 107.361 179.168 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.431 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 26.1 mt-30 -73.94 -40.09 63.33 Favored 'General case' 0 N--CA 1.493 1.698 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.247 -179.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 45.6 mtmt -64.4 -46.03 85.03 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.052 -1.03 . . . . 0.0 110.759 -178.213 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -107.65 110.08 21.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.583 -0.698 . . . . 0.0 110.777 -178.438 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.05 -33.13 69.98 Favored 'General case' 0 C--N 1.303 -1.446 0 N-CA-C 108.503 -0.925 . . . . 0.0 108.503 178.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.455 ' N ' ' OD1' ' B' ' 52' ' ' ASP . 17.1 p-10 -67.62 -24.4 65.46 Favored 'General case' 0 C--N 1.304 -1.404 0 O-C-N 121.199 -0.938 . . . . 0.0 108.656 179.453 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.68 -39.68 66.87 Favored 'General case' 0 N--CA 1.486 1.372 0 O-C-N 121.305 -0.872 . . . . 0.0 110.735 179.285 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.441 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 17.1 t -70.07 -52.75 27.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.804 0 O-C-N 121.358 -0.839 . . . . 0.0 111.426 -178.44 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.423 ' OD1' ' NZ ' ' B' ' 30' ' ' LYS . 98.1 m-20 -59.98 -39.96 87.47 Favored 'General case' 0 C--N 1.289 -2.023 0 O-C-N 120.833 -1.167 . . . . 0.0 110.378 -177.39 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.01 -39.66 75.7 Favored 'General case' 0 C--N 1.295 -1.798 0 O-C-N 120.838 -1.164 . . . . 0.0 112.199 -177.713 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.541 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.1 pp -80.61 -53.39 12.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.139 0 O-C-N 120.012 -1.68 . . . . 0.0 109.765 -179.492 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.467 ' C ' ' SD ' ' B' ' 58' ' ' MET . 1.8 tmt? -60.21 -47.56 85.46 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.518 -0.739 . . . . 0.0 112.526 -176.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 68.5 mttm -68.48 -36.42 78.93 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.472 -1.393 . . . . 0.0 109.753 -178.385 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 97.8 mt-10 -88.62 -16.6 32.04 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.018 -1.051 . . . . 0.0 110.061 -179.784 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.541 ' N ' ' O ' ' B' ' 57' ' ' ILE . 64.3 tp -86.49 -12.86 47.72 Favored 'General case' 0 N--CA 1.505 2.308 0 N-CA-C 106.781 -1.562 . . . . 0.0 106.781 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.651 ' O ' ' N ' ' B' ' 65' ' ' GLY . 42.0 t0 -98.47 43.72 1.05 Allowed 'General case' 0 N--CA 1.494 1.757 0 N-CA-C 102.51 -3.144 . . . . 0.0 102.51 173.475 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.473 ' H ' ' C ' ' B' ' 61' ' ' LEU . 48.7 tp10 -37.21 -19.85 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.053 0 CA-C-N 110.478 -3.055 . . . . 0.0 110.839 -177.612 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.538 ' N ' ' O ' ' B' ' 62' ' ' ASP . 20.4 m120 -85.43 -0.02 53.62 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.562 -1.336 . . . . 0.0 108.012 178.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.651 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.88 37.78 94.29 Favored Glycine 0 N--CA 1.492 2.393 0 CA-C-N 115.88 -0.6 . . . . 0.0 111.858 178.508 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.473 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.9 p30 -101.27 -10.01 20.72 Favored 'General case' 0 N--CA 1.507 2.398 0 O-C-N 120.858 -1.378 . . . . 0.0 110.649 179.664 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.548 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 83.03 -8.67 62.59 Favored Glycine 0 N--CA 1.497 2.723 0 O-C-N 120.683 -1.26 . . . . 0.0 110.671 178.52 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.578 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 64.4 mt-10 -119.53 144.31 47.11 Favored 'General case' 0 N--CA 1.486 1.357 0 N-CA-C 107.519 -1.289 . . . . 0.0 107.519 179.438 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.413 HG21 HD22 ' B' ' 33' ' ' LEU . 54.8 t -106.32 133.79 49.77 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 121.019 -1.051 . . . . 0.0 111.396 -177.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.417 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 14.4 t70 -84.06 160.58 20.93 Favored 'General case' 0 N--CA 1.488 1.461 0 N-CA-C 108.389 -0.967 . . . . 0.0 108.389 178.632 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.471 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 50.7 p90 -60.64 -39.8 89.65 Favored 'General case' 0 C--N 1.299 -1.625 0 O-C-N 121.135 -0.978 . . . . 0.0 109.937 179.733 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.471 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 60.7 tt0 -61.12 -40.03 92.25 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.528 -1.357 . . . . 0.0 110.304 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 97.9 mt-10 -69.78 -40.03 76.3 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.738 -1.226 . . . . 0.0 111.381 -178.649 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.585 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -66.84 -50.03 63.85 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.166 -0.959 . . . . 0.0 111.376 -178.433 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.585 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 8.6 p -60.06 -36.93 70.54 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.896 0 O-C-N 121.271 -0.893 . . . . 0.0 112.077 -177.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.1 t -67.64 -60.6 2.36 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 O-C-N 120.669 -1.269 . . . . 0.0 111.502 -177.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.511 HD12 ' CZ2' ' D' ' 5' ' ' TRP . 4.3 tp -65.47 -48.91 71.03 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.728 -1.232 . . . . 0.0 111.769 -177.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.768 HG13 HD12 ' B' ' 45' ' ' LEU . 75.4 t -59.96 -39.85 81.34 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 121.305 -0.872 . . . . 0.0 111.805 -178.495 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.491 ' O ' HG12 ' B' ' 83' ' ' VAL . . . -69.82 -24.29 63.45 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 121.361 -0.837 . . . . 0.0 109.279 -178.734 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -75.21 -20.18 59.4 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.383 -0.823 . . . . 0.0 110.818 179.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.788 HD21 ' HE1' ' D' ' 5' ' ' TRP . 57.3 mt -93.96 -46.72 7.04 Favored 'General case' 0 N--CA 1.501 2.11 0 O-C-N 120.806 -1.184 . . . . 0.0 110.55 -179.231 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.522 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.7 t -60.6 -47.68 85.11 Favored 'General case' 0 C--N 1.294 -1.833 0 O-C-N 121.341 -0.849 . . . . 0.0 110.16 -178.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.522 ' N ' HG23 ' B' ' 82' ' ' THR . 8.5 p -67.59 -39.95 83.28 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.822 0 O-C-N 121.213 -0.929 . . . . 0.0 109.309 179.814 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.471 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -64.79 -24.5 67.57 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.685 -0.634 . . . . 0.0 110.012 -179.598 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.09 -39.92 75.27 Favored 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.082 -1.011 . . . . 0.0 109.861 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -62.47 -40.04 95.37 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.037 -1.04 . . . . 0.0 110.306 -179.667 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -60.13 -44.07 95.19 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.064 -1.022 . . . . 0.0 110.515 -179.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -71.29 -23.79 62.03 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.232 -0.918 . . . . 0.0 110.095 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -90.62 6.85 42.14 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.184 -0.947 . . . . 0.0 109.623 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 63.9 t90 -59.93 -45.66 91.88 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.148 -0.97 . . . . 0.0 109.172 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -60.35 -39.93 88.9 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.27 -0.894 . . . . 0.0 108.909 179.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 26.5 m120 -88.22 36.02 0.77 Allowed 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.362 -0.836 . . . . 0.0 109.992 -179.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 48.0 t . . . . . 0 N--CA 1.491 1.6 0 CA-C-O 118.01 -0.995 . . . . 0.0 108.91 179.496 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.393 -0.595 . . . . 0.0 109.393 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -60.06 -49.65 76.8 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.168 -0.957 . . . . 0.0 109.23 179.812 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.78 -42.06 91.26 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.289 -0.882 . . . . 0.0 109.1 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t -65.48 -41.67 91.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 N-CA-C 108.676 -0.861 . . . . 0.0 108.676 179.586 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 67.5 t-105 -60.07 -49.97 75.54 Favored 'General case' 0 N--CA 1.487 1.401 0 O-C-N 121.487 -0.758 . . . . 0.0 109.673 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -61.52 -39.91 92.72 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.024 -1.047 . . . . 0.0 110.005 179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 55.3 tttp -60.11 -50.44 73.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.33 -0.856 . . . . 0.0 111.438 -178.673 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 51.1 tp -62.09 -50.01 73.65 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.735 -1.228 . . . . 0.0 111.359 -178.09 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 26.6 mt -62.1 -39.04 91.13 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.032 -1.042 . . . . 0.0 109.886 -178.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -59.06 -39.95 83.65 Favored 'General case' 0 N--CA 1.489 1.519 0 O-C-N 121.22 -0.925 . . . . 0.0 109.079 -179.388 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 67.3 mttm -64.43 -40.0 94.91 Favored 'General case' 0 N--CA 1.488 1.44 0 O-C-N 121.244 -0.91 . . . . 0.0 109.961 179.545 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.896 -1.05 . . . . 0.0 109.406 -179.371 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.49 1.55 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 7.6 ttpm? -59.97 -49.87 75.99 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.193 -0.942 . . . . 0.0 109.204 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.35 -42.55 92.71 Favored 'General case' 0 N--CA 1.489 1.514 0 O-C-N 121.253 -0.904 . . . . 0.0 109.264 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -65.19 -41.58 92.01 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.406 0 N-CA-C 108.642 -0.873 . . . . 0.0 108.642 179.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 67.1 t-105 -60.09 -50.03 75.32 Favored 'General case' 0 N--CA 1.488 1.466 0 O-C-N 121.525 -0.734 . . . . 0.0 109.591 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 18.8 m170 -61.57 -40.08 93.45 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.118 -0.989 . . . . 0.0 109.908 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.9 tttp -59.98 -50.65 72.9 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.251 -0.906 . . . . 0.0 111.557 -178.637 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.07 -49.95 73.92 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.835 -1.166 . . . . 0.0 111.409 -178.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 30.5 mt -61.85 -39.18 90.96 Favored 'General case' 0 N--CA 1.493 1.687 0 O-C-N 121.128 -0.983 . . . . 0.0 109.801 -178.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 22.8 t -59.0 -39.93 83.36 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.145 -0.972 . . . . 0.0 109.202 -179.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -64.38 -40.07 95.1 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.347 -0.846 . . . . 0.0 109.793 179.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 78.1 mt-30 . . . . . 0 N--CA 1.496 1.856 0 CA-C-O 117.862 -1.066 . . . . 0.0 109.389 -179.371 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.457 ' HA3' ' O ' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.916 0 N-CA-C 119.625 2.61 . . . . 0.0 119.625 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 t -106.82 -78.27 0.58 Allowed 'General case' 0 N--CA 1.498 1.951 0 O-C-N 120.966 -1.314 . . . . 0.0 109.518 179.281 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.519 ' OE2' ' ND2' ' B' ' 13' ' ' ASN . 98.0 mt-10 -59.96 -55.48 33.52 Favored 'General case' 0 C--N 1.298 -1.648 0 O-C-N 121.162 -0.961 . . . . 0.0 110.386 -179.075 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.618 HD12 ' CB ' ' B' ' 40' ' ' GLU . 97.4 mt -60.03 -38.67 83.4 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.993 -1.067 . . . . 0.0 110.705 -177.059 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.7 tt0 -53.44 -43.52 68.1 Favored 'General case' 0 C--N 1.295 -1.785 0 O-C-N 120.723 -1.236 . . . . 0.0 108.519 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 36.5 p -70.36 -36.84 74.41 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.354 -0.841 . . . . 0.0 110.353 179.154 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -52.09 -56.17 16.13 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 121.432 -0.792 . . . . 0.0 110.763 -178.053 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 97.7 mmm -60.01 -34.2 73.03 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.981 -1.075 . . . . 0.0 110.105 -179.619 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.7 tp10 -64.34 -40.02 95.06 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.159 -0.963 . . . . 0.0 110.191 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.428 HG21 ' OG1' ' B' ' 6' ' ' THR . 19.8 p -69.11 -46.58 67.37 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.588 0.709 . . . . 0.0 110.916 -178.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.536 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 84.5 mt -60.9 -49.83 75.87 Favored 'General case' 0 N--CA 1.497 1.914 0 CA-C-O 121.514 0.673 . . . . 0.0 111.627 -178.622 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 76.8 mt -70.14 -39.84 77.53 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.364 -0.835 . . . . 0.0 112.048 -177.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.523 ' ND2' ' OE2' ' B' ' 3' ' ' GLU . 57.0 t-20 -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.27 -1.519 . . . . 0.0 110.798 -178.424 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.436 HG21 ' HG2' ' A' ' 40' ' ' GLU . 7.4 p -81.02 -29.85 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.154 0 O-C-N 121.3 -0.875 . . . . 0.0 110.823 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.536 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.5 m-30 -61.41 -55.72 28.31 Favored 'General case' 0 N--CA 1.504 2.236 0 O-C-N 120.832 -1.167 . . . . 0.0 111.307 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 59.7 t60 -75.7 -24.25 56.21 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.454 -0.779 . . . . 0.0 112.056 -177.044 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.95 -60.23 2.34 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 120.596 -1.315 . . . . 0.0 110.874 -178.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.44 -39.96 81.33 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.948 -1.095 . . . . 0.0 111.07 -178.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 79.8 p -63.62 -19.82 65.17 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.388 -0.82 . . . . 0.0 112.34 -178.186 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.76 19.52 33.14 Favored Glycine 0 N--CA 1.503 3.157 0 O-C-N 121.074 -1.016 . . . . 0.0 111.144 -178.333 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 70.3 mmtt -78.08 -48.83 15.16 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.678 -1.484 . . . . 0.0 109.402 179.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -142.68 65.2 1.35 Allowed 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.431 -0.793 . . . . 0.0 109.528 -179.334 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.05 -150.15 5.88 Favored Glycine 0 N--CA 1.493 2.445 0 C-N-CA 119.535 -1.317 . . . . 0.0 110.414 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 49.1 t0 -87.93 155.11 20.01 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.486 -1.008 . . . . 0.0 109.296 -179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.538 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 62.8 mttp -20.97 -83.02 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.37 0 C-N-CA 122.31 0.244 . . . . 0.0 111.403 -179.21 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.553 ' CD2' ' O ' ' A' ' 26' ' ' TYR . 21.5 p90 -131.08 79.67 1.9 Allowed 'General case' 0 N--CA 1.502 2.144 0 CA-C-O 122.234 1.016 . . . . 0.0 110.132 179.4 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.79 142.67 31.94 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.129 -1.434 . . . . 0.0 107.129 178.576 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.441 HD13 ' CE1' ' A' ' 71' ' ' PHE . 7.0 tp -95.47 147.4 23.58 Favored 'General case' 0 N--CA 1.484 1.238 0 O-C-N 120.688 -1.258 . . . . 0.0 108.327 -179.483 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.537 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 53.7 m -130.83 162.44 29.58 Favored 'General case' 0 N--CA 1.496 1.866 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 -178.749 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 3.8 ttmp? -50.33 -46.27 55.45 Favored 'General case' 0 N--CA 1.497 1.899 0 C-N-CA 118.579 -1.248 . . . . 0.0 110.663 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 88.7 tttt -69.06 -34.33 74.99 Favored 'General case' 0 N--CA 1.502 2.17 0 O-C-N 120.855 -1.153 . . . . 0.0 110.996 -178.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.537 ' HB2' ' H ' ' A' ' 29' ' ' SER . 97.7 mt-10 -73.96 -36.8 64.63 Favored 'General case' 0 C--N 1.299 -1.622 0 CA-C-O 121.982 0.896 . . . . 0.0 108.594 178.682 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 44.5 tp -60.07 -51.07 71.22 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 112.774 0.657 . . . . 0.0 112.774 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.8 ptmt -70.72 -36.48 73.24 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.93 -1.106 . . . . 0.0 112.575 -176.331 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 97.8 m-20 -68.26 -35.78 78.41 Favored 'General case' 0 C--N 1.292 -1.929 0 N-CA-C 107.681 -1.229 . . . . 0.0 107.681 179.573 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.42 HD11 HG22 ' A' ' 14' ' ' VAL . 42.9 tp -61.93 -38.69 89.4 Favored 'General case' 0 C--N 1.289 -2.035 0 O-C-N 121.7 -0.625 . . . . 0.0 111.801 -179.661 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.557 HD21 ' CE2' ' A' ' 74' ' ' PHE . 89.4 mt -83.93 -37.55 22.17 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.765 -1.209 . . . . 0.0 112.731 -177.737 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.533 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.8 pp0? -70.06 -33.14 71.55 Favored 'General case' 0 C--N 1.295 -1.79 0 O-C-N 120.71 -1.244 . . . . 0.0 110.403 -178.416 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.533 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 53.4 m -75.36 -48.56 22.45 Favored 'General case' 0 C--N 1.306 -1.297 0 O-C-N 121.521 -0.737 . . . . 0.0 111.686 -178.158 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.571 ' CB ' HD12 ' B' ' 4' ' ' LEU . 58.1 mp0 -97.88 -46.29 5.99 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.101 -0.999 . . . . 0.0 111.97 -178.034 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.478 HD12 HD13 ' B' ' 4' ' ' LEU . 1.7 mt -100.85 78.78 1.98 Allowed 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.783 -1.198 . . . . 0.0 109.221 -179.577 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.479 ' O ' ' CB ' ' A' ' 43' ' ' SER . 39.3 m -90.74 142.21 27.99 Favored 'General case' 0 C--N 1.305 -1.369 0 N-CA-C 109.425 -0.583 . . . . 0.0 109.425 179.189 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.479 ' CB ' ' O ' ' A' ' 42' ' ' SER . 1.3 p 78.44 -3.27 2.3 Favored 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.521 -0.737 . . . . 0.0 111.103 178.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 45.4 m-85 -104.06 -78.58 0.56 Allowed 'General case' 0 N--CA 1.499 2.002 0 N-CA-C 107.491 -1.3 . . . . 0.0 107.491 177.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.425 HD22 ' H ' ' A' ' 45' ' ' LEU . 0.6 OUTLIER -89.11 130.44 35.55 Favored 'General case' 0 C--N 1.301 -1.518 0 N-CA-C 106.148 -1.797 . . . . 0.0 106.148 177.638 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.437 ' CG ' ' NZ ' ' A' ' 49' ' ' LYS . 84.4 m-20 -121.59 77.19 1.32 Allowed 'General case' 0 N--CA 1.498 1.965 0 CA-C-O 121.971 0.891 . . . . 0.0 110.253 -177.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.601 ' HB ' HG22 ' A' ' 54' ' ' VAL . 4.2 m -78.31 -39.67 24.5 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.433 0 CA-C-O 121.827 0.822 . . . . 0.0 110.774 -179.506 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.559 ' N ' HG23 ' A' ' 47' ' ' VAL . 97.7 mt-30 -60.08 -50.07 75.17 Favored 'General case' 0 C--N 1.298 -1.674 0 N-CA-C 113.188 0.81 . . . . 0.0 113.188 -175.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.55 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -74.43 -37.12 63.4 Favored 'General case' 0 N--CA 1.498 1.936 0 O-C-N 120.661 -1.274 . . . . 0.0 110.134 -179.218 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.433 ' O ' HG23 ' A' ' 54' ' ' VAL . 87.8 m-20 -90.18 88.87 7.41 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.983 -1.073 . . . . 0.0 109.763 -179.445 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.4 -39.27 92.7 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.566 -0.709 . . . . 0.0 109.585 179.379 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.424 ' O ' ' CG ' ' A' ' 56' ' ' LYS . 90.4 m-20 -59.82 -39.38 84.88 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.336 -0.852 . . . . 0.0 109.326 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.426 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -64.63 -40.04 94.77 Favored 'General case' 0 C--N 1.298 -1.659 0 O-C-N 121.648 -0.658 . . . . 0.0 111.848 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.601 HG22 ' HB ' ' A' ' 47' ' ' VAL . 22.3 t -68.91 -56.9 10.4 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.789 0 O-C-N 120.849 -1.157 . . . . 0.0 112.19 -176.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -64.22 -40.97 97.14 Favored 'General case' 0 C--N 1.294 -1.839 0 O-C-N 120.843 -1.16 . . . . 0.0 111.17 -178.138 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.424 ' CG ' ' O ' ' A' ' 52' ' ' ASP . 36.2 mmtm -69.43 -40.03 77.48 Favored 'General case' 0 C--N 1.292 -1.901 0 O-C-N 121.536 -0.728 . . . . 0.0 111.91 -177.504 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.518 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.9 mt -78.99 -51.98 16.01 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.75 0 O-C-N 121.485 -0.759 . . . . 0.0 111.479 -177.193 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.536 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.5 OUTLIER -64.2 -43.36 95.28 Favored 'General case' 0 C--N 1.293 -1.864 0 C-N-CA 119.777 -0.769 . . . . 0.0 111.143 -177.766 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 29.0 mmtp -66.89 -36.26 81.88 Favored 'General case' 0 C--N 1.299 -1.602 0 O-C-N 120.914 -1.116 . . . . 0.0 108.845 -179.406 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.87 -17.33 31.67 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.164 -0.96 . . . . 0.0 109.426 179.592 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.543 ' C ' ' H ' ' A' ' 63' ' ' GLU . 49.8 tp -86.66 -19.86 28.65 Favored 'General case' 0 N--CA 1.506 2.342 0 N-CA-C 106.706 -1.59 . . . . 0.0 106.706 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.607 ' O ' ' N ' ' A' ' 65' ' ' GLY . 21.7 m-20 -89.26 48.0 1.56 Allowed 'General case' 0 N--CA 1.495 1.799 0 N-CA-C 102.909 -2.997 . . . . 0.0 102.909 173.539 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.543 ' H ' ' C ' ' A' ' 61' ' ' LEU . 49.4 tp10 -43.46 -20.17 0.02 OUTLIER 'General case' 0 C--N 1.288 -2.097 0 CA-C-N 111.352 -2.658 . . . . 0.0 109.776 -177.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.428 ' N ' ' O ' ' A' ' 62' ' ' ASP . 79.6 m-20 -87.95 -0.17 56.67 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 120.724 -1.235 . . . . 0.0 108.204 179.118 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.607 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.85 38.17 95.21 Favored Glycine 0 N--CA 1.493 2.454 0 N-CA-C 111.209 -0.756 . . . . 0.0 111.209 178.775 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.436 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 27.3 p-10 -101.0 -17.45 16.74 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.887 -1.36 . . . . 0.0 110.817 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.76 -10.34 62.7 Favored Glycine 0 N--CA 1.501 3.004 0 N-CA-C 109.176 -1.57 . . . . 0.0 109.176 179.76 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.454 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 49.5 mt-10 -119.18 139.13 52.35 Favored 'General case' 0 C--N 1.311 -1.095 0 N-CA-C 107.616 -1.253 . . . . 0.0 107.616 179.685 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.445 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 68.4 t -103.99 132.04 51.37 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.146 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 -177.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.557 ' O ' ' N ' ' A' ' 72' ' ' GLN . 97.7 m-20 -86.2 124.06 32.17 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.016 -1.052 . . . . 0.0 109.009 -179.756 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.469 ' C ' ' O ' ' A' ' 70' ' ' ASP . 87.0 m-85 -28.66 -35.04 0.01 OUTLIER 'General case' 0 N--CA 1.505 2.281 0 O-C-N 122.107 -0.371 . . . . 0.0 111.715 -179.174 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.557 ' N ' ' O ' ' A' ' 70' ' ' ASP . 28.7 tt0 -60.54 -40.86 93.09 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.456 -1.403 . . . . 0.0 109.502 179.111 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.495 ' N ' ' O ' ' A' ' 70' ' ' ASP . 97.3 mt-10 -66.26 -39.94 89.82 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.986 -1.071 . . . . 0.0 109.406 179.181 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.557 ' CE2' HD21 ' A' ' 37' ' ' LEU . 16.9 t80 -60.01 -39.69 86.7 Favored 'General case' 0 N--CA 1.494 1.765 0 CA-C-N 115.602 -0.727 . . . . 0.0 111.86 -178.787 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.457 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 1.4 p -69.81 -34.64 61.49 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.791 0 O-C-N 120.93 -1.106 . . . . 0.0 110.842 -178.38 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.5 t -69.34 -60.56 2.35 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.754 0 O-C-N 120.739 -1.226 . . . . 0.0 112.028 -178.271 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.3 tp -72.99 -40.72 64.99 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.822 -1.174 . . . . 0.0 112.723 -176.375 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 27.1 t -67.44 -39.76 83.21 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 120.62 -1.3 . . . . 0.0 109.741 -178.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.457 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -75.3 -25.49 57.94 Favored 'General case' 0 N--CA 1.494 1.739 0 O-C-N 121.572 -0.705 . . . . 0.0 109.813 179.772 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.73 -25.09 65.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 120.932 -1.105 . . . . 0.0 109.462 179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 25.3 mt -91.87 -37.43 12.92 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.256 -0.903 . . . . 0.0 109.68 -179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 61.7 p -62.0 -48.56 79.79 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 119.036 -1.066 . . . . 0.0 109.57 -179.088 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.513 HG13 ' N ' ' A' ' 84' ' ' ALA . 8.6 p -74.04 -40.9 52.33 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.545 -0.722 . . . . 0.0 110.709 -179.349 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.513 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.09 -34.15 74.48 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.354 -0.841 . . . . 0.0 111.139 -178.464 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 49.8 t -71.68 -47.22 55.59 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.098 -1.001 . . . . 0.0 110.526 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.406 ' O ' ' CD1' ' A' ' 89' ' ' PHE . 42.2 t30 -60.12 -41.7 93.18 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.105 -0.997 . . . . 0.0 110.036 -179.313 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.506 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 28.8 t-20 -59.99 -40.88 90.66 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.298 -0.876 . . . . 0.0 110.505 -179.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -64.44 -32.51 74.16 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.283 -0.886 . . . . 0.0 109.572 -179.2 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.506 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 62.1 m-85 55.25 84.67 0.07 Allowed 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.395 -0.816 . . . . 0.0 109.497 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -60.22 -28.37 67.95 Favored 'General case' 0 C--N 1.303 -1.423 0 O-C-N 121.303 -0.873 . . . . 0.0 108.911 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -71.06 0.31 7.85 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.369 -0.832 . . . . 0.0 109.193 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 45.8 t30 -82.03 -3.79 55.34 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.315 -0.865 . . . . 0.0 109.054 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.5 p . . . . . 0 C--N 1.301 -1.534 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.546 -179.729 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.536 ' HA3' ' O ' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.532 5.04 0 N-CA-C 119.288 2.475 . . . . 0.0 119.288 . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 26.7 t -106.89 -78.37 0.58 Allowed 'General case' 0 N--CA 1.497 1.883 0 O-C-N 120.932 -1.334 . . . . 0.0 109.711 179.681 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE2' ' ND2' ' A' ' 13' ' ' ASN . 97.2 mt-10 -59.64 -55.79 30.06 Favored 'General case' 0 C--N 1.296 -1.732 0 O-C-N 121.124 -0.985 . . . . 0.0 110.371 -178.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.571 HD12 ' CB ' ' A' ' 40' ' ' GLU . 95.2 mt -59.89 -38.41 82.17 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 121.082 -1.011 . . . . 0.0 110.815 -177.045 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.2 tt0 -53.71 -43.66 69.19 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.648 -1.282 . . . . 0.0 108.35 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.451 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 35.7 p -70.25 -35.65 73.96 Favored 'General case' 0 C--N 1.301 -1.502 0 O-C-N 121.441 -0.787 . . . . 0.0 110.219 179.077 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -53.09 -55.78 21.23 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.522 -0.736 . . . . 0.0 110.647 -176.463 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 96.9 mmm -60.15 -34.06 73.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.231 -0.918 . . . . 0.0 109.982 -179.6 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.9 tp10 -64.38 -39.99 94.95 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 121.155 -0.966 . . . . 0.0 110.082 -179.62 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 21.3 p -69.38 -46.64 66.44 Favored 'General case' 0 C--N 1.301 -1.518 0 CA-C-O 121.646 0.736 . . . . 0.0 110.831 -178.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 85.0 mt -60.6 -49.86 75.83 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.616 -0.678 . . . . 0.0 111.719 -178.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 76.6 mt -70.25 -39.86 77.3 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.813 0 O-C-N 121.268 -0.895 . . . . 0.0 112.041 -177.808 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.519 ' ND2' ' OE2' ' A' ' 3' ' ' GLU . 56.3 t-20 -59.94 -40.1 87.78 Favored 'General case' 0 N--CA 1.499 1.981 0 O-C-N 120.325 -1.484 . . . . 0.0 110.355 -177.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.472 HG21 ' HG2' ' B' ' 40' ' ' GLU . 6.7 p -81.02 -29.8 11.45 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.171 0 O-C-N 121.351 -0.843 . . . . 0.0 110.907 -179.809 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.53 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.7 m-30 -61.44 -55.73 28.02 Favored 'General case' 0 N--CA 1.505 2.286 0 O-C-N 120.801 -1.187 . . . . 0.0 111.165 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 61.1 t60 -75.66 -23.91 56.3 Favored 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.491 -0.756 . . . . 0.0 112.086 -177.004 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.13 -60.29 2.31 Favored 'General case' 0 C--N 1.301 -1.541 0 O-C-N 120.732 -1.23 . . . . 0.0 110.895 -178.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 2.1 t-160 -68.6 -39.99 80.66 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.008 -1.058 . . . . 0.0 111.069 -178.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 78.3 p -63.39 -20.02 65.17 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.383 -0.823 . . . . 0.0 112.255 -178.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -107.32 19.12 34.9 Favored Glycine 0 N--CA 1.502 3.091 0 O-C-N 121.077 -1.014 . . . . 0.0 111.19 -178.348 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 69.3 mmtt -77.93 -48.31 16.61 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.548 -1.56 . . . . 0.0 109.669 179.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -143.04 64.77 1.35 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.42 -0.8 . . . . 0.0 109.531 -179.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.53 -149.85 5.75 Favored Glycine 0 N--CA 1.493 2.486 0 C-N-CA 119.503 -1.332 . . . . 0.0 110.49 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 48.2 t0 -87.97 155.26 19.92 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.523 -0.987 . . . . 0.0 109.206 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.536 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 62.8 mttp -21.28 -82.86 0.0 OUTLIER 'General case' 0 N--CA 1.509 2.491 0 C-N-CA 122.281 0.232 . . . . 0.0 111.434 -179.369 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.559 ' CD2' ' O ' ' B' ' 26' ' ' TYR . 21.4 p90 -131.17 79.4 1.89 Allowed 'General case' 0 N--CA 1.502 2.164 0 CA-C-O 122.301 1.048 . . . . 0.0 110.007 179.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.5 142.69 32.3 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 178.441 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.44 HD13 ' CE1' ' B' ' 71' ' ' PHE . 7.0 tp -95.37 147.19 23.77 Favored 'General case' 0 N--CA 1.485 1.279 0 O-C-N 120.709 -1.244 . . . . 0.0 108.372 -179.583 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.551 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 54.6 m -130.22 162.96 27.76 Favored 'General case' 0 N--CA 1.496 1.865 0 N-CA-C 108.84 -0.8 . . . . 0.0 108.84 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -50.78 -46.35 59.51 Favored 'General case' 0 N--CA 1.499 2.01 0 C-N-CA 118.441 -1.303 . . . . 0.0 110.618 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 88.4 tttt -69.52 -33.8 73.33 Favored 'General case' 0 N--CA 1.503 2.209 0 O-C-N 120.819 -1.176 . . . . 0.0 110.846 -178.544 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.551 ' HB2' ' H ' ' B' ' 29' ' ' SER . 98.2 mt-10 -73.99 -36.63 64.53 Favored 'General case' 0 C--N 1.296 -1.745 0 C-N-CA 119.433 -0.907 . . . . 0.0 108.661 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.22 -51.32 70.07 Favored 'General case' 0 N--CA 1.492 1.668 0 N-CA-C 112.546 0.573 . . . . 0.0 112.546 -178.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 14.1 ptmt -70.12 -36.89 75.13 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.973 -1.08 . . . . 0.0 112.694 -176.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -68.05 -35.77 78.78 Favored 'General case' 0 C--N 1.292 -1.902 0 O-C-N 120.719 -1.238 . . . . 0.0 107.737 179.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 39.2 tp -61.9 -38.71 89.38 Favored 'General case' 0 C--N 1.291 -1.936 0 O-C-N 121.712 -0.618 . . . . 0.0 111.748 -179.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.571 HD21 ' CE2' ' B' ' 74' ' ' PHE . 88.1 mt -83.98 -37.41 22.27 Favored 'General case' 0 N--CA 1.505 2.292 0 O-C-N 120.878 -1.139 . . . . 0.0 112.834 -177.688 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.521 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.8 pp0? -70.03 -33.3 71.81 Favored 'General case' 0 C--N 1.297 -1.691 0 O-C-N 120.691 -1.256 . . . . 0.0 110.386 -178.673 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.521 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 55.2 m -75.21 -48.56 22.88 Favored 'General case' 0 C--N 1.307 -1.273 0 O-C-N 121.531 -0.731 . . . . 0.0 111.679 -177.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.618 ' CB ' HD12 ' A' ' 4' ' ' LEU . 58.1 mp0 -98.0 -46.45 5.89 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.011 -1.055 . . . . 0.0 111.9 -177.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.443 HD12 HD13 ' A' ' 4' ' ' LEU . 1.7 mt -100.61 78.95 2.04 Favored 'General case' 0 N--CA 1.506 2.367 0 O-C-N 120.821 -1.174 . . . . 0.0 109.307 -179.669 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.485 ' O ' ' CB ' ' B' ' 43' ' ' SER . 39.4 m -91.18 142.14 28.05 Favored 'General case' 0 C--N 1.306 -1.322 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 179.354 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.485 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.1 p 78.23 -2.67 2.4 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.431 -0.793 . . . . 0.0 111.088 178.422 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 46.1 m-85 -104.71 -78.59 0.56 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 107.336 -1.357 . . . . 0.0 107.336 177.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.426 ' H ' HD22 ' B' ' 45' ' ' LEU . 0.6 OUTLIER -89.09 130.43 35.54 Favored 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 106.149 -1.797 . . . . 0.0 106.149 177.668 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.454 ' CG ' ' NZ ' ' B' ' 49' ' ' LYS . 84.3 m-20 -121.62 77.03 1.31 Allowed 'General case' 0 N--CA 1.498 1.965 0 O-C-N 121.248 -0.908 . . . . 0.0 110.308 -177.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.597 ' HB ' HG22 ' B' ' 54' ' ' VAL . 4.2 m -78.1 -39.66 25.34 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.402 0 CA-C-O 121.884 0.849 . . . . 0.0 110.889 -179.536 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.562 ' N ' HG23 ' B' ' 47' ' ' VAL . 97.8 mt-30 -60.03 -49.97 75.55 Favored 'General case' 0 C--N 1.297 -1.703 0 N-CA-C 113.225 0.824 . . . . 0.0 113.225 -175.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.518 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -74.69 -37.32 62.67 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 120.695 -1.253 . . . . 0.0 110.146 -179.153 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.427 ' O ' HG23 ' B' ' 54' ' ' VAL . 88.6 m-20 -89.97 88.75 7.43 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.974 -1.079 . . . . 0.0 109.751 -179.6 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.61 -38.75 91.4 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.6 -0.688 . . . . 0.0 109.559 179.461 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.427 ' O ' ' CG ' ' B' ' 56' ' ' LYS . 91.1 m-20 -60.05 -39.3 85.49 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.286 -0.883 . . . . 0.0 109.279 -179.779 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.454 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -65.82 -36.97 84.99 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.71 -0.619 . . . . 0.0 112.379 -179.486 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.597 HG22 ' HB ' ' B' ' 47' ' ' VAL . 21.8 t -70.9 -57.05 8.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 120.727 -1.233 . . . . 0.0 111.961 -177.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 8.0 t70 -63.97 -41.03 97.66 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.91 -1.119 . . . . 0.0 111.162 -178.067 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.427 ' CG ' ' O ' ' B' ' 52' ' ' ASP . 36.9 mmtm -69.5 -39.93 77.29 Favored 'General case' 0 C--N 1.292 -1.9 0 O-C-N 121.465 -0.772 . . . . 0.0 111.903 -177.578 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.4 mt -78.89 -52.79 14.76 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.646 0 O-C-N 121.427 -0.796 . . . . 0.0 111.34 -177.082 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.53 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.5 OUTLIER -62.65 -44.28 96.68 Favored 'General case' 0 C--N 1.29 -1.989 0 O-C-N 121.421 -0.799 . . . . 0.0 111.603 -178.08 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 29.2 mmtp -66.51 -36.33 82.46 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.035 -1.041 . . . . 0.0 108.924 -179.214 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.2 mm-40 -88.03 -17.48 31.05 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.2 -0.937 . . . . 0.0 109.186 179.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.535 ' N ' ' O ' ' B' ' 57' ' ' ILE . 52.4 tp -86.41 -19.89 29.02 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.611 ' O ' ' N ' ' B' ' 65' ' ' GLY . 23.3 m-20 -89.49 48.23 1.58 Allowed 'General case' 0 N--CA 1.496 1.831 0 N-CA-C 102.794 -3.039 . . . . 0.0 102.794 173.586 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.531 ' H ' ' C ' ' B' ' 61' ' ' LEU . 49.3 tp10 -43.48 -20.07 0.02 OUTLIER 'General case' 0 C--N 1.289 -2.048 0 CA-C-N 111.25 -2.705 . . . . 0.0 109.793 -178.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.423 ' N ' ' C ' ' B' ' 62' ' ' ASP . 79.6 m-20 -88.16 -0.15 56.75 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.713 -1.242 . . . . 0.0 108.173 179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.611 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.71 35.79 91.47 Favored Glycine 0 N--CA 1.494 2.513 0 C-N-CA 120.815 -0.707 . . . . 0.0 111.501 178.681 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.463 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 27.4 p-10 -99.24 -17.77 17.94 Favored 'General case' 0 N--CA 1.503 2.218 0 O-C-N 120.885 -1.362 . . . . 0.0 110.753 -179.478 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 84.43 -9.6 64.04 Favored Glycine 0 N--CA 1.497 2.752 0 N-CA-C 109.084 -1.606 . . . . 0.0 109.084 179.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.448 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 50.2 mt-10 -119.07 139.95 50.89 Favored 'General case' 0 N--CA 1.477 0.917 0 N-CA-C 107.19 -1.411 . . . . 0.0 107.19 179.533 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.463 HG22 ' OD1' ' B' ' 62' ' ' ASP . 88.9 t -104.65 131.85 52.71 Favored 'Isoleucine or valine' 0 C--N 1.284 -2.275 0 O-C-N 121.623 -0.673 . . . . 0.0 109.33 -178.128 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' B' ' 72' ' ' GLN . 97.6 m-20 -85.82 123.77 31.56 Favored 'General case' 0 N--CA 1.487 1.406 0 O-C-N 121.01 -1.056 . . . . 0.0 109.101 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.481 ' C ' ' O ' ' B' ' 70' ' ' ASP . 87.8 m-85 -28.36 -35.02 0.01 OUTLIER 'General case' 0 N--CA 1.506 2.333 0 O-C-N 122.254 -0.279 . . . . 0.0 111.643 -179.141 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.552 ' N ' ' O ' ' B' ' 70' ' ' ASP . 28.5 tt0 -60.86 -40.5 93.15 Favored 'General case' 0 N--CA 1.5 2.07 0 O-C-N 120.442 -1.411 . . . . 0.0 109.528 179.212 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.516 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.2 mt-10 -66.67 -39.92 88.37 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.899 -1.126 . . . . 0.0 109.272 179.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.571 ' CE2' HD21 ' B' ' 37' ' ' LEU . 17.6 t80 -59.98 -39.93 87.4 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-N 115.611 -0.722 . . . . 0.0 111.867 -179.062 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.449 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 1.2 p -69.07 -35.0 66.56 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.821 0 O-C-N 120.873 -1.142 . . . . 0.0 110.919 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.4 -60.48 2.43 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.823 0 O-C-N 120.808 -1.183 . . . . 0.0 112.041 -178.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.1 tp -72.92 -40.64 65.3 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 120.972 -1.08 . . . . 0.0 112.801 -176.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 28.9 t -67.77 -38.76 80.78 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.609 -1.307 . . . . 0.0 109.927 -178.558 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.449 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -75.87 -25.72 56.43 Favored 'General case' 0 C--N 1.296 -1.752 0 O-C-N 121.51 -0.744 . . . . 0.0 109.893 179.764 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.82 -21.3 64.31 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.999 -1.063 . . . . 0.0 109.836 179.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 26.0 mt -94.89 -37.67 11.08 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.207 -0.933 . . . . 0.0 109.315 179.465 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 57.4 p -62.03 -48.11 81.75 Favored 'General case' 0 N--CA 1.492 1.669 0 C-N-CA 119.126 -1.029 . . . . 0.0 109.523 -179.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.512 HG13 ' N ' ' B' ' 84' ' ' ALA . 8.9 p -74.4 -41.21 49.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.464 -0.772 . . . . 0.0 110.676 -179.384 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.512 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -60.79 -34.27 74.25 Favored 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.346 -0.846 . . . . 0.0 111.181 -178.515 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 49.3 t -71.57 -47.26 56.03 Favored 'General case' 0 C--N 1.3 -1.577 0 O-C-N 121.119 -0.988 . . . . 0.0 110.478 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.41 ' O ' ' CD1' ' B' ' 89' ' ' PHE . 43.3 t30 -60.13 -41.76 93.34 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.059 -1.026 . . . . 0.0 110.076 -179.344 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.516 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 28.8 t-20 -60.09 -40.93 91.32 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.338 -0.851 . . . . 0.0 110.426 -179.556 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -64.15 -32.62 74.25 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.18 -0.95 . . . . 0.0 109.63 -179.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.516 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 62.1 m-85 55.32 84.62 0.07 Allowed 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.312 -0.867 . . . . 0.0 109.46 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 12.2 t-105 -60.04 -28.46 67.78 Favored 'General case' 0 C--N 1.303 -1.442 0 O-C-N 121.378 -0.827 . . . . 0.0 108.896 -179.732 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 99.2 mt-10 -71.21 0.53 7.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.335 -0.853 . . . . 0.0 109.221 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 46.0 t30 -82.09 -4.13 56.22 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.306 -0.871 . . . . 0.0 108.937 179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 62.6 p . . . . . 0 C--N 1.302 -1.496 0 CA-C-O 118.036 -0.983 . . . . 0.0 109.686 -179.842 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.489 1.487 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -159.23 -80.09 0.06 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.34 -0.85 . . . . 0.0 109.035 179.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.25 -40.13 89.19 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.267 -0.896 . . . . 0.0 109.47 179.733 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.436 HG23 ' N ' ' C' ' 5' ' ' TRP . 23.1 m -61.25 -37.43 77.52 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.339 -0.85 . . . . 0.0 109.084 179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.436 ' N ' HG23 ' C' ' 4' ' ' VAL . 66.1 t-105 -65.36 -41.98 93.25 Favored 'General case' 0 C--N 1.298 -1.667 0 O-C-N 121.063 -1.023 . . . . 0.0 109.774 179.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -61.97 -49.96 74.0 Favored 'General case' 0 N--CA 1.496 1.865 0 O-C-N 121.396 -0.815 . . . . 0.0 112.275 -178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 54.7 pttt -60.87 -33.34 72.93 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.682 -1.261 . . . . 0.0 110.78 -178.027 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.478 HD13 HD11 ' A' ' 57' ' ' ILE . 23.5 tp -60.15 -49.84 76.06 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.877 -1.14 . . . . 0.0 110.529 -178.714 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 16.3 mt -64.52 -39.53 93.94 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.867 -1.145 . . . . 0.0 109.077 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 93.3 p -60.07 -41.69 92.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.144 -0.972 . . . . 0.0 110.509 -179.324 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 32.1 mmtp -69.9 -39.96 75.9 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.812 -1.18 . . . . 0.0 109.87 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.8 tt0 . . . . . 0 N--CA 1.493 1.694 0 CA-C-O 118.002 -0.999 . . . . 0.0 109.18 179.954 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.634 0 CA-C-O 121.321 0.581 . . . . 0.0 109.489 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 57.7 tttp -159.91 -79.85 0.05 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.308 -0.87 . . . . 0.0 109.039 179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.31 -40.03 89.12 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.284 -0.885 . . . . 0.0 109.374 179.653 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.432 HG23 ' N ' ' D' ' 5' ' ' TRP . 24.2 m -61.46 -37.79 78.57 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.507 0 O-C-N 121.246 -0.909 . . . . 0.0 108.998 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . 0.432 ' N ' HG23 ' D' ' 4' ' ' VAL . 66.3 t-105 -64.93 -42.02 95.03 Favored 'General case' 0 C--N 1.299 -1.627 0 O-C-N 121.037 -1.039 . . . . 0.0 109.907 179.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.2 t60 -61.94 -49.94 74.12 Favored 'General case' 0 N--CA 1.496 1.859 0 O-C-N 121.345 -0.847 . . . . 0.0 112.396 -178.191 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 57.3 pttt -60.63 -33.34 72.64 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 120.613 -1.304 . . . . 0.0 111.004 -178.381 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.433 HD13 HD11 ' B' ' 57' ' ' ILE . 22.5 tp -60.03 -50.06 75.21 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.858 -1.151 . . . . 0.0 110.561 -178.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 16.4 mt -64.46 -39.55 94.02 Favored 'General case' 0 N--CA 1.489 1.48 0 O-C-N 120.85 -1.156 . . . . 0.0 109.028 -179.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 96.1 p -59.97 -41.9 92.95 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.07 -1.019 . . . . 0.0 110.645 -179.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 32.3 mmtp -69.81 -39.94 76.22 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 120.91 -1.119 . . . . 0.0 109.819 -179.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.481 ' NE2' ' CZ ' ' B' ' 44' ' ' PHE . 63.9 tt0 . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.05 -1.031 . . . . 0.0 109.087 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.458 ' HA2' ' OE1' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.879 0 N-CA-C 119.554 2.582 . . . . 0.0 119.554 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 38.2 m -108.51 -13.48 14.83 Favored 'General case' 0 N--CA 1.497 1.889 0 O-C-N 121.48 -1.012 . . . . 0.0 110.288 179.565 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.479 ' O ' ' OG1' ' A' ' 6' ' ' THR . 56.0 mp0 -60.53 -57.4 12.89 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.816 -1.177 . . . . 0.0 110.353 -178.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.441 HD22 ' HB2' ' B' ' 11' ' ' LEU . 0.0 OUTLIER -51.92 -54.73 25.99 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 120.43 -1.419 . . . . 0.0 108.278 -178.747 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.3 tt0 -45.42 -45.21 12.69 Favored 'General case' 0 C--N 1.29 -1.992 0 O-C-N 121.877 -0.515 . . . . 0.0 109.959 178.559 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.479 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 19.9 p -66.32 -32.39 73.77 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 120.913 -1.117 . . . . 0.0 110.798 -179.506 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.94 -46.27 89.93 Favored 'General case' 0 C--N 1.295 -1.783 0 O-C-N 120.765 -1.209 . . . . 0.0 111.599 -178.255 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.69 -40.11 84.38 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.128 -1.608 . . . . 0.0 111.171 -179.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.42 -44.7 86.58 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.875 -1.141 . . . . 0.0 111.835 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.532 HG23 ' N ' ' A' ' 11' ' ' LEU . 6.4 t -73.85 -44.86 54.25 Favored 'General case' 0 C--N 1.298 -1.653 0 O-C-N 121.283 -0.886 . . . . 0.0 111.444 -176.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.707 ' C ' HD12 ' A' ' 11' ' ' LEU . 0.3 OUTLIER -71.37 -29.45 64.97 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.89 -0.506 . . . . 0.0 112.131 -177.426 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 87.9 mt -77.3 -35.12 21.98 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.9 0 O-C-N 120.197 -1.565 . . . . 0.0 109.269 179.406 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -60.13 -40.02 88.32 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 120.72 -1.238 . . . . 0.0 110.026 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 7.7 p -77.14 -38.62 27.82 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.974 0 O-C-N 121.485 -0.759 . . . . 0.0 109.486 179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.1 t80 -51.19 -59.06 4.6 Favored 'General case' 0 N--CA 1.499 1.995 0 O-C-N 121.374 -0.829 . . . . 0.0 111.48 179.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 56.1 m80 -71.4 -22.89 61.81 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.68 -0.637 . . . . 0.0 111.098 -178.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.04 -53.3 59.44 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 120.772 -1.205 . . . . 0.0 110.271 -179.082 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.41 -39.31 77.99 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 120.976 -1.078 . . . . 0.0 110.639 -178.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.549 ' OG ' HD11 ' A' ' 28' ' ' LEU . 13.8 m -63.26 -6.9 5.02 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.137 -0.977 . . . . 0.0 111.014 -179.071 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.0 18.12 58.03 Favored Glycine 0 N--CA 1.494 2.564 0 N-CA-C 109.989 -1.244 . . . . 0.0 109.989 -178.449 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 mptp? -95.08 -70.85 0.69 Allowed 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.195 -1.18 . . . . 0.0 108.09 179.042 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.418 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 74.3 mm-40 -128.64 61.97 1.48 Allowed 'General case' 0 N--CA 1.503 2.217 0 O-C-N 121.782 -0.574 . . . . 0.0 110.114 -179.035 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -159.39 -161.63 11.39 Favored Glycine 0 N--CA 1.496 2.698 0 N-CA-C 109.217 -1.553 . . . . 0.0 109.217 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.531 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 56.0 t0 -91.33 156.62 17.64 Favored 'General case' 0 N--CA 1.485 1.294 0 O-C-N 120.779 -1.424 . . . . 0.0 107.361 179.444 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.531 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 44.8 mmtm -52.45 -32.45 39.54 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 120.869 -1.144 . . . . 0.0 108.687 -179.363 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.24 15.98 11.44 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.891 -1.131 . . . . 0.0 113.605 -178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.9 148.05 43.12 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 121.096 1.771 . . . . 0.0 110.139 179.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.549 HD11 ' OG ' ' A' ' 19' ' ' SER . 2.3 mm? -95.74 161.06 14.18 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-O 122.568 1.175 . . . . 0.0 111.248 -178.353 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.432 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 58.1 m -126.66 160.06 31.84 Favored 'General case' 0 C--N 1.298 -1.641 0 N-CA-C 107.405 -1.331 . . . . 0.0 107.405 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.433 ' HA ' HD21 ' A' ' 33' ' ' LEU . 75.5 tttt -44.6 -38.82 4.52 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 120.974 -1.079 . . . . 0.0 111.236 -178.91 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 44.1 tptt -80.87 -24.31 38.45 Favored 'General case' 0 N--CA 1.5 2.045 0 O-C-N 120.765 -1.209 . . . . 0.0 112.343 -177.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 96.3 mt-10 -82.74 -40.02 21.1 Favored 'General case' 0 N--CA 1.503 2.189 0 O-C-N 120.225 -1.547 . . . . 0.0 110.873 -179.558 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.433 HD21 ' HA ' ' A' ' 30' ' ' LYS . 2.9 pp -71.55 -36.99 71.13 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.243 -0.911 . . . . 0.0 109.96 -179.77 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -59.97 -45.4 92.79 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.389 -0.819 . . . . 0.0 109.966 -179.551 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -74.93 -25.17 58.7 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.012 -1.055 . . . . 0.0 110.113 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -65.31 -39.96 93.15 Favored 'General case' 0 C--N 1.292 -1.913 0 O-C-N 121.423 -0.798 . . . . 0.0 111.98 -178.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 84.9 mt -84.25 -36.01 23.01 Favored 'General case' 0 N--CA 1.503 2.205 0 O-C-N 120.806 -1.184 . . . . 0.0 112.785 -178.228 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.523 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.4 pp0? -69.93 -33.39 72.09 Favored 'General case' 0 C--N 1.302 -1.492 0 O-C-N 120.528 -1.358 . . . . 0.0 110.237 -178.023 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.523 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 92.6 m -82.15 -52.41 7.01 Favored 'General case' 0 C--N 1.304 -1.385 0 C-N-CA 119.786 -0.766 . . . . 0.0 111.295 -177.164 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.452 ' OE1' ' HA2' ' B' ' 1' ' ' GLY . 54.0 mm-40 -79.99 -60.05 2.49 Favored 'General case' 0 N--CA 1.487 1.376 0 O-C-N 121.695 -0.628 . . . . 0.0 111.542 -177.509 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.18 56.65 2.24 Favored 'General case' 0 N--CA 1.501 2.105 0 CA-C-O 122.333 1.063 . . . . 0.0 109.453 -178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 77.3 p -69.89 -11.2 60.69 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.606 -0.684 . . . . 0.0 110.219 179.229 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 77.6 p -71.9 -21.42 61.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.184 -0.947 . . . . 0.0 113.15 -177.078 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.504 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 44.9 t80 -160.45 -40.82 0.05 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 119.828 -1.795 . . . . 0.0 111.909 -179.293 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.537 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 1.9 mm? -61.37 132.96 55.21 Favored 'General case' 0 C--N 1.303 -1.413 0 C-N-CA 117.753 -1.579 . . . . 0.0 107.103 -178.843 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.574 ' C ' HG13 ' A' ' 47' ' ' VAL . 39.3 p-10 -82.67 -128.55 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.701 -1.249 . . . . 0.0 111.745 -177.615 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 47' ' ' VAL . 0.7 OUTLIER 72.1 17.53 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 N-CA-C 106.979 -1.489 . . . . 0.0 106.979 -176.559 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 15.4 pt20 -122.51 9.38 9.64 Favored 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 179.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 18.1 pttp -175.86 -29.54 0.01 OUTLIER 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.546 -0.721 . . . . 0.0 109.269 -178.14 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 60.6 t0 -94.16 98.58 11.06 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.412 -0.805 . . . . 0.0 109.677 -179.278 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.86 -33.37 72.17 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 121.303 -0.873 . . . . 0.0 109.69 179.606 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.03 -40.04 87.99 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.228 -0.92 . . . . 0.0 108.938 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.501 ' CB ' ' OD2' ' A' ' 46' ' ' ASP . . . -61.57 -39.98 93.12 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.347 -0.846 . . . . 0.0 111.238 179.479 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 47.2 t -67.91 -55.74 15.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.667 0 O-C-N 121.043 -1.035 . . . . 0.0 112.362 -177.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -65.04 -41.37 95.27 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 120.712 -1.243 . . . . 0.0 111.517 -177.028 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 12.9 mptt -71.4 -39.94 70.84 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.225 -0.922 . . . . 0.0 111.464 -178.273 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.487 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.6 mt -75.0 -53.53 16.2 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.36 0 O-C-N 120.839 -1.163 . . . . 0.0 110.637 -177.171 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.531 ' C ' ' SD ' ' A' ' 58' ' ' MET . 2.7 ppp? -63.76 -42.28 97.84 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.462 -0.895 . . . . 0.0 111.126 -177.656 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.444 ' N ' ' SD ' ' A' ' 58' ' ' MET . 78.1 tttt -68.03 -39.71 83.07 Favored 'General case' 0 C--N 1.3 -1.573 0 O-C-N 121.244 -0.91 . . . . 0.0 109.717 -178.597 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -86.25 -17.32 35.04 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.973 -1.079 . . . . 0.0 108.777 179.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.505 ' C ' ' H ' ' A' ' 63' ' ' GLU . 55.6 tp -87.57 -16.62 34.05 Favored 'General case' 0 N--CA 1.506 2.34 0 N-CA-C 106.55 -1.648 . . . . 0.0 106.55 179.128 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.575 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.5 m-20 -92.65 47.39 1.29 Allowed 'General case' 0 N--CA 1.493 1.681 0 N-CA-C 102.641 -3.096 . . . . 0.0 102.641 173.463 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 18.2 pt-20 -46.74 -19.78 0.11 Allowed 'General case' 0 C--N 1.29 -2.017 0 CA-C-N 111.31 -2.677 . . . . 0.0 109.977 -177.79 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 18.2 m120 -87.05 3.23 46.92 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 178.27 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.575 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 62.77 40.42 99.19 Favored Glycine 0 N--CA 1.496 2.635 0 CA-C-N 115.735 -0.666 . . . . 0.0 111.774 178.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.431 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 42.7 p-10 -102.22 -16.7 16.24 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 120.842 -1.387 . . . . 0.0 110.934 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.74 -3.07 70.88 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.329 -1.508 . . . . 0.0 109.329 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.452 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 45.1 mt-10 -123.33 140.09 53.37 Favored 'General case' 0 C--N 1.308 -1.196 0 N-CA-C 106.721 -1.585 . . . . 0.0 106.721 179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 52.0 t -103.52 129.29 55.71 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.704 0 O-C-N 121.124 -0.985 . . . . 0.0 110.745 -177.546 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.3 157.74 29.1 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.517 -0.739 . . . . 0.0 109.489 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.494 ' CE2' ' CG1' ' B' ' 83' ' ' VAL . 0.0 OUTLIER -62.33 -28.33 69.67 Favored 'General case' 0 C--N 1.302 -1.477 0 O-C-N 121.205 -0.935 . . . . 0.0 110.635 179.341 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -70.53 -40.0 73.72 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.538 -1.351 . . . . 0.0 109.166 178.52 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 98.7 mt-10 -70.1 -40.0 75.19 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.24 -0.913 . . . . 0.0 110.297 -179.678 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.805 ' O ' HG22 ' A' ' 78' ' ' VAL . 20.9 t80 -64.31 -52.39 58.74 Favored 'General case' 0 N--CA 1.493 1.722 0 O-C-N 121.582 -0.699 . . . . 0.0 112.049 -178.476 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.98 -35.23 59.69 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.872 0 O-C-N 121.718 -0.614 . . . . 0.0 112.13 -177.116 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 47.9 t -69.25 -58.75 4.76 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 120.917 -1.115 . . . . 0.0 111.949 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 5.9 tp -69.21 -40.12 78.17 Favored 'General case' 0 N--CA 1.498 1.945 0 O-C-N 121.074 -1.016 . . . . 0.0 112.325 -176.171 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.805 HG22 ' O ' ' A' ' 74' ' ' PHE . 14.1 m -69.98 -37.52 72.79 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 O-C-N 120.901 -1.125 . . . . 0.0 111.205 -178.29 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.494 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -74.84 -24.02 58.53 Favored 'General case' 0 C--N 1.299 -1.598 0 O-C-N 121.668 -0.645 . . . . 0.0 109.454 -179.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.51 -29.59 67.24 Favored 'General case' 0 C--N 1.3 -1.557 0 N-CA-C 108.152 -1.055 . . . . 0.0 108.152 178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.0 mt -83.83 -36.69 23.29 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.619 -0.676 . . . . 0.0 109.259 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -64.22 -49.94 69.99 Favored 'General case' 0 N--CA 1.492 1.637 0 C-N-CA 119.253 -0.979 . . . . 0.0 109.4 -178.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.53 ' CG1' ' CE2' ' B' ' 71' ' ' PHE . 71.3 t -69.84 -40.98 79.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 CA-C-O 121.752 0.787 . . . . 0.0 109.873 -179.605 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.13 -34.03 74.34 Favored 'General case' 0 C--N 1.295 -1.768 0 CA-C-O 121.738 0.78 . . . . 0.0 109.696 -178.281 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.517 ' SG ' ' CE3' ' A' ' 90' ' ' TRP . 48.4 t -62.62 -39.95 95.43 Favored 'General case' 0 C--N 1.299 -1.599 0 N-CA-C 109.072 -0.714 . . . . 0.0 109.072 179.787 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 53.7 t-20 -59.83 -36.01 75.92 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.642 -0.661 . . . . 0.0 109.528 -179.822 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.445 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 24.8 t-20 -59.95 -40.18 88.12 Favored 'General case' 0 C--N 1.301 -1.512 0 O-C-N 121.269 -0.894 . . . . 0.0 109.297 -179.696 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 68.7 t80 -76.61 -19.86 57.38 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.969 -1.082 . . . . 0.0 109.982 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.445 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 87.5 m-85 53.06 70.27 0.6 Allowed 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.997 -1.065 . . . . 0.0 109.774 179.626 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.517 ' CE3' ' SG ' ' A' ' 85' ' ' CYS . 33.5 p90 -60.11 -27.04 66.7 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.337 -0.852 . . . . 0.0 110.075 -179.625 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 83.5 tt0 -68.95 -10.55 57.91 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.166 -0.959 . . . . 0.0 109.232 -179.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -63.64 -34.46 77.89 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.323 -0.991 . . . . 0.0 108.323 178.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 14.2 m . . . . . 0 C--N 1.303 -1.454 0 CA-C-O 117.981 -1.009 . . . . 0.0 109.874 179.384 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.452 ' HA2' ' OE1' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.914 0 N-CA-C 119.364 2.506 . . . . 0.0 119.364 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 24.2 m -108.41 -13.15 14.92 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 121.528 -0.984 . . . . 0.0 110.281 179.467 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.452 ' O ' ' OG1' ' B' ' 6' ' ' THR . 56.0 mp0 -60.55 -57.67 11.72 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.757 -1.214 . . . . 0.0 110.314 -178.772 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -51.02 -55.33 17.97 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.493 -1.379 . . . . 0.0 108.317 -179.03 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -45.27 -45.05 11.8 Favored 'General case' 0 C--N 1.295 -1.786 0 CA-C-N 115.996 -0.547 . . . . 0.0 109.941 178.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.452 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 19.3 p -66.67 -32.22 73.39 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 120.927 -1.108 . . . . 0.0 110.715 -179.583 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -59.92 -46.32 89.76 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.845 -1.159 . . . . 0.0 111.532 -177.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.4 mmt -67.54 -40.13 85.03 Favored 'General case' 0 N--CA 1.499 2.013 0 O-C-N 120.259 -1.525 . . . . 0.0 111.162 -179.2 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -65.56 -44.65 86.11 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.095 -1.003 . . . . 0.0 111.735 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.526 HG23 ' N ' ' B' ' 11' ' ' LEU . 6.3 t -74.08 -44.51 53.77 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 121.207 -0.933 . . . . 0.0 111.454 -176.603 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.705 ' C ' HD12 ' B' ' 11' ' ' LEU . 0.3 OUTLIER -71.7 -29.51 64.65 Favored 'General case' 0 C--N 1.298 -1.641 0 O-C-N 121.825 -0.547 . . . . 0.0 112.047 -177.514 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 89.0 mt -76.33 -36.86 30.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.956 0 O-C-N 119.987 -1.696 . . . . 0.0 108.912 179.342 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -59.37 -40.19 85.66 Favored 'General case' 0 N--CA 1.495 1.797 0 O-C-N 120.9 -1.125 . . . . 0.0 109.603 -178.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 7.2 p -76.44 -39.29 33.43 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 O-C-N 121.309 -0.869 . . . . 0.0 109.497 179.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -50.81 -59.02 4.54 Favored 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 121.69 0.757 . . . . 0.0 111.586 179.646 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 56.5 m80 -71.37 -23.0 61.81 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 121.704 -0.622 . . . . 0.0 111.035 -178.479 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -60.05 -53.43 57.94 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 120.698 -1.252 . . . . 0.0 110.207 -179.087 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 41.2 m170 -69.32 -39.63 78.11 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.053 -1.029 . . . . 0.0 110.636 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.563 ' OG ' HD11 ' B' ' 28' ' ' LEU . 13.8 m -63.14 -6.49 4.29 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.151 -0.968 . . . . 0.0 110.96 -179.144 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.15 17.45 59.27 Favored Glycine 0 N--CA 1.494 2.521 0 N-CA-C 109.985 -1.246 . . . . 0.0 109.985 -178.505 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -94.44 -71.0 0.68 Allowed 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.203 -1.175 . . . . 0.0 108.269 179.016 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.403 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 74.7 mm-40 -128.37 62.08 1.46 Allowed 'General case' 0 N--CA 1.505 2.279 0 O-C-N 121.864 -0.523 . . . . 0.0 110.09 -179.004 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.517 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -159.4 -161.31 11.11 Favored Glycine 0 N--CA 1.498 2.807 0 N-CA-C 109.159 -1.576 . . . . 0.0 109.159 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.52 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 55.7 t0 -91.46 156.73 17.5 Favored 'General case' 0 N--CA 1.485 1.312 0 N-CA-C 107.281 -1.378 . . . . 0.0 107.281 179.32 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.52 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 44.9 mmtm -52.52 -32.59 41.21 Favored 'General case' 0 C--N 1.292 -1.906 0 C-N-CA 118.925 -1.11 . . . . 0.0 108.63 -179.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 98.6 m-85 -121.05 15.7 11.58 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.898 -1.126 . . . . 0.0 113.648 -178.358 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -138.68 148.19 43.7 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-N 121.188 1.813 . . . . 0.0 110.149 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.563 HD11 ' OG ' ' B' ' 19' ' ' SER . 2.3 mm? -95.74 160.98 14.22 Favored 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 122.515 1.15 . . . . 0.0 111.24 -178.271 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.426 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 57.0 m -126.46 160.21 31.16 Favored 'General case' 0 C--N 1.298 -1.65 0 N-CA-C 107.445 -1.317 . . . . 0.0 107.445 178.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.407 ' HA ' HD21 ' B' ' 33' ' ' LEU . 74.9 tttt -44.68 -38.92 4.69 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.013 -1.054 . . . . 0.0 111.248 -178.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 44.9 tptt -80.98 -23.87 38.45 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.698 -1.251 . . . . 0.0 112.45 -178.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.517 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 96.4 mt-10 -82.82 -40.48 20.3 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.234 -1.541 . . . . 0.0 110.86 -179.688 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' B' ' 30' ' ' LYS . 2.9 pp -71.07 -37.12 72.46 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.296 -0.878 . . . . 0.0 109.981 -179.814 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -60.03 -45.15 93.76 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.514 -0.741 . . . . 0.0 109.894 -179.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 88.0 m-20 -75.3 -24.92 57.53 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 120.96 -1.087 . . . . 0.0 110.116 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.7 tp -65.46 -39.84 92.49 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.502 -0.749 . . . . 0.0 112.002 -178.67 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 85.1 mt -84.1 -36.74 22.75 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.846 -1.159 . . . . 0.0 112.727 -178.222 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.532 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.4 pp0? -69.08 -33.66 73.9 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 120.6 -1.312 . . . . 0.0 110.339 -177.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.532 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 92.5 m -81.99 -52.51 6.97 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.671 0.748 . . . . 0.0 111.421 -177.236 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.458 ' OE1' ' HA2' ' A' ' 1' ' ' GLY . 54.5 mm-40 -79.95 -60.03 2.49 Favored 'General case' 0 C--N 1.304 -1.394 0 O-C-N 121.658 -0.651 . . . . 0.0 111.554 -177.528 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mt -94.22 56.71 2.24 Favored 'General case' 0 N--CA 1.501 2.081 0 CA-C-O 122.333 1.063 . . . . 0.0 109.438 -178.396 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 71.9 p -69.94 -11.5 60.92 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.493 -0.755 . . . . 0.0 110.241 179.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 74.6 p -71.61 -21.49 61.84 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.218 -0.927 . . . . 0.0 113.091 -177.061 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.481 ' CZ ' ' NE2' ' D' ' 12' ' ' GLN . 45.1 t80 -160.31 -40.93 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 119.738 -1.851 . . . . 0.0 111.825 -179.309 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.535 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 1.9 mm? -61.39 132.96 55.2 Favored 'General case' 0 C--N 1.304 -1.378 0 C-N-CA 117.77 -1.572 . . . . 0.0 107.164 -178.723 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.567 ' C ' HG13 ' B' ' 47' ' ' VAL . 39.0 p-10 -82.76 -128.48 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.732 -1.23 . . . . 0.0 111.71 -177.577 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.581 HG23 ' O ' ' B' ' 47' ' ' VAL . 0.7 OUTLIER 72.17 17.37 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.504 2.237 0 N-CA-C 107.083 -1.451 . . . . 0.0 107.083 -176.344 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 15.8 pt20 -122.16 9.03 9.8 Favored 'General case' 0 N--CA 1.489 1.517 0 N-CA-C 109.24 -0.652 . . . . 0.0 109.24 179.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 18.2 pttp -175.71 -29.05 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.645 -0.659 . . . . 0.0 109.35 -178.105 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -94.37 98.47 10.92 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.398 -0.813 . . . . 0.0 109.515 -179.346 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -33.07 71.51 Favored 'General case' 0 C--N 1.303 -1.439 0 O-C-N 121.291 -0.881 . . . . 0.0 109.563 179.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 85.2 m-20 -60.2 -40.11 88.91 Favored 'General case' 0 N--CA 1.489 1.491 0 O-C-N 121.157 -0.965 . . . . 0.0 108.882 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.497 ' CB ' ' OD2' ' B' ' 46' ' ' ASP . . . -62.69 -37.05 84.91 Favored 'General case' 0 C--N 1.297 -1.681 0 O-C-N 121.426 -0.796 . . . . 0.0 111.708 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 51.3 t -70.13 -55.53 14.34 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.627 0 O-C-N 120.893 -1.129 . . . . 0.0 112.268 -178.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 96.7 m-20 -64.94 -41.37 95.57 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 120.686 -1.259 . . . . 0.0 111.594 -177.075 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 12.5 mptt -71.48 -39.91 70.58 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.197 -0.939 . . . . 0.0 111.412 -178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.479 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -74.95 -53.73 15.83 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.331 0 O-C-N 120.794 -1.191 . . . . 0.0 110.633 -177.08 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.526 ' C ' ' SD ' ' B' ' 58' ' ' MET . 2.5 ppp? -62.63 -42.98 99.9 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.917 -0.713 . . . . 0.0 111.273 -177.854 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.454 ' N ' ' SD ' ' B' ' 58' ' ' MET . 77.1 tttt -68.23 -39.74 82.24 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.407 -0.808 . . . . 0.0 109.772 -178.315 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.402 ' OE1' ' CG1' ' D' ' 4' ' ' VAL . 98.2 mt-10 -86.24 -17.27 35.17 Favored 'General case' 0 N--CA 1.489 1.511 0 O-C-N 121.015 -1.053 . . . . 0.0 108.724 179.296 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.484 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.3 tp -87.75 -16.74 33.37 Favored 'General case' 0 N--CA 1.507 2.408 0 N-CA-C 106.538 -1.653 . . . . 0.0 106.538 179.255 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.621 ' O ' ' N ' ' B' ' 65' ' ' GLY . 46.3 m-20 -92.62 47.65 1.32 Allowed 'General case' 0 N--CA 1.493 1.702 0 N-CA-C 102.627 -3.101 . . . . 0.0 102.627 173.443 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.484 ' H ' ' C ' ' B' ' 61' ' ' LEU . 18.3 pt-20 -46.92 -19.61 0.11 Allowed 'General case' 0 C--N 1.289 -2.061 0 CA-C-N 111.21 -2.723 . . . . 0.0 110.064 -177.745 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -87.3 3.54 46.36 Favored 'General case' 0 N--CA 1.493 1.717 0 N-CA-C 107.283 -1.377 . . . . 0.0 107.283 178.26 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.621 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 63.48 37.94 95.57 Favored Glycine 0 N--CA 1.497 2.729 0 CA-C-N 115.746 -0.661 . . . . 0.0 112.063 178.765 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.429 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 43.4 p-10 -100.11 -17.07 17.61 Favored 'General case' 0 N--CA 1.506 2.332 0 O-C-N 120.745 -1.444 . . . . 0.0 111.072 -179.374 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 79.63 -2.71 71.86 Favored Glycine 0 N--CA 1.496 2.684 0 N-CA-C 109.241 -1.544 . . . . 0.0 109.241 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.451 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 44.8 mt-10 -123.25 140.6 52.85 Favored 'General case' 0 N--CA 1.483 1.222 0 N-CA-C 106.534 -1.654 . . . . 0.0 106.534 179.274 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 46.9 t -103.53 129.44 55.5 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 O-C-N 121.043 -1.036 . . . . 0.0 110.762 -177.714 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 97.1 m-20 -78.22 158.0 29.12 Favored 'General case' 0 C--N 1.301 -1.521 0 O-C-N 121.502 -0.748 . . . . 0.0 109.398 179.739 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.53 ' CE2' ' CG1' ' A' ' 83' ' ' VAL . 0.0 OUTLIER -62.5 -28.32 69.76 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.229 -0.919 . . . . 0.0 110.611 179.269 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -70.56 -40.05 73.56 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.439 -1.413 . . . . 0.0 109.1 178.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 98.6 mt-10 -70.06 -40.05 75.32 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.212 -0.93 . . . . 0.0 110.289 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.805 ' O ' HG22 ' B' ' 78' ' ' VAL . 22.4 t80 -64.28 -52.78 56.91 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.573 -0.704 . . . . 0.0 111.999 -178.431 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -59.82 -35.37 59.89 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 121.741 -0.6 . . . . 0.0 112.119 -176.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 50.0 t -69.05 -58.78 4.71 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.782 0 O-C-N 120.862 -1.148 . . . . 0.0 112.133 -178.029 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 5.1 tp -69.04 -40.0 78.85 Favored 'General case' 0 N--CA 1.5 2.029 0 O-C-N 120.967 -1.083 . . . . 0.0 112.348 -176.145 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.805 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.9 m -70.09 -37.38 71.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 120.868 -1.145 . . . . 0.0 111.435 -178.347 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.503 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -74.82 -24.49 58.63 Favored 'General case' 0 N--CA 1.49 1.54 0 O-C-N 121.627 -0.671 . . . . 0.0 109.392 -178.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.31 -23.44 61.94 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.173 -0.954 . . . . 0.0 108.924 179.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 21.7 mt -89.08 -36.22 15.88 Favored 'General case' 0 N--CA 1.494 1.74 0 N-CA-C 108.732 -0.84 . . . . 0.0 108.732 179.345 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 93.9 m -64.44 -49.9 69.67 Favored 'General case' 0 C--N 1.298 -1.647 0 C-N-CA 119.402 -0.919 . . . . 0.0 109.329 -178.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.494 ' CG1' ' CE2' ' A' ' 71' ' ' PHE . 72.3 t -69.99 -41.21 79.31 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 CA-C-O 121.726 0.774 . . . . 0.0 109.864 -179.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.09 -33.51 73.46 Favored 'General case' 0 C--N 1.297 -1.674 0 CA-C-O 121.741 0.782 . . . . 0.0 109.686 -178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.518 ' SG ' ' CE3' ' B' ' 90' ' ' TRP . 45.2 t -62.96 -40.02 96.44 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-O 121.696 0.76 . . . . 0.0 109.003 179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 53.9 t-20 -59.94 -36.0 76.13 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.629 -0.669 . . . . 0.0 109.383 -179.612 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.442 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 24.9 t-20 -59.92 -39.97 87.27 Favored 'General case' 0 C--N 1.301 -1.525 0 O-C-N 121.155 -0.966 . . . . 0.0 109.416 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -77.03 -19.31 57.37 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 120.906 -1.121 . . . . 0.0 109.978 179.585 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.442 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 87.4 m-85 52.71 70.27 0.59 Allowed 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.03 -1.044 . . . . 0.0 109.893 179.564 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.518 ' CE3' ' SG ' ' B' ' 85' ' ' CYS . 33.3 p90 -59.99 -26.94 66.44 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.2 -0.938 . . . . 0.0 110.143 -179.653 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 83.3 tt0 -69.02 -10.67 58.71 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.016 -1.052 . . . . 0.0 109.125 -179.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 64.8 t-20 -63.51 -35.09 79.32 Favored 'General case' 0 N--CA 1.49 1.569 0 N-CA-C 108.15 -1.056 . . . . 0.0 108.15 179.003 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 15.2 m . . . . . 0 C--N 1.302 -1.498 0 CA-C-O 117.988 -1.006 . . . . 0.0 109.95 179.452 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.555 ' O ' ' N ' ' C' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.547 0 CA-C-O 121.048 0.452 . . . . 0.0 109.831 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 84.8 tttt 56.67 -75.57 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.845 0 O-C-N 121.486 -0.759 . . . . 0.0 110.977 179.349 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . 0.555 ' N ' ' O ' ' C' ' 1' ' ' LYS . . . -59.52 -50.37 74.16 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 120.897 -1.127 . . . . 0.0 109.847 -178.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . 0.443 HG13 ' N ' ' C' ' 5' ' ' TRP . 7.8 p -60.15 -38.94 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.166 -0.959 . . . . 0.0 109.205 179.27 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.443 ' N ' HG13 ' C' ' 4' ' ' VAL . 72.3 t-105 -59.88 -42.08 92.98 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.58 -0.7 . . . . 0.0 109.788 -179.641 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 78.1 t60 -61.85 -37.57 85.02 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.261 -0.899 . . . . 0.0 110.526 -179.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.528 ' NZ ' ' N ' ' A' ' 53' ' ' ALA . 4.8 tmtt? -59.53 -48.61 80.98 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.012 -1.055 . . . . 0.0 111.179 -177.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.81 -41.82 74.5 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.519 -1.363 . . . . 0.0 110.475 -179.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.453 ' C ' ' H ' ' C' ' 11' ' ' LYS . 2.9 mm? -63.45 -32.42 73.86 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 120.98 -1.075 . . . . 0.0 108.728 -179.705 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.3 p -73.04 5.83 3.1 Favored 'General case' 0 C--N 1.301 -1.535 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 178.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.486 ' O ' ' OXT' ' C' ' 12' ' ' GLN . 69.1 mmtt 60.75 39.74 16.97 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 109.121 -0.696 . . . . 0.0 109.121 -179.81 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.486 ' OXT' ' O ' ' C' ' 11' ' ' LYS . 63.7 tt0 . . . . . 0 N--CA 1.495 1.783 0 CA-C-O 117.907 -1.044 . . . . 0.0 110.087 179.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.558 ' O ' ' N ' ' D' ' 3' ' ' ALA . 0.0 OUTLIER . . . . . 0 N--CA 1.49 1.527 0 N-CA-C 109.733 -0.469 . . . . 0.0 109.733 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 85.0 tttt 56.55 -75.77 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.507 -0.746 . . . . 0.0 111.047 179.413 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . 0.558 ' N ' ' O ' ' D' ' 1' ' ' LYS . . . -59.47 -50.16 75.02 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.903 -1.123 . . . . 0.0 109.923 -178.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . 0.457 HG13 ' N ' ' D' ' 5' ' ' TRP . 7.6 p -60.21 -39.09 79.64 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.598 0 O-C-N 121.245 -0.909 . . . . 0.0 109.056 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . 0.457 ' N ' HG13 ' D' ' 4' ' ' VAL . 72.1 t-105 -60.03 -41.79 92.97 Favored 'General case' 0 N--CA 1.489 1.498 0 O-C-N 121.558 -0.714 . . . . 0.0 109.823 -179.561 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -61.83 -37.62 85.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.322 -0.861 . . . . 0.0 110.598 -179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.617 ' NZ ' ' N ' ' B' ' 53' ' ' ALA . 6.3 tmtt? -59.53 -48.5 81.42 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.988 -1.07 . . . . 0.0 111.19 -177.864 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.2 tp -69.77 -42.43 73.84 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.598 -1.314 . . . . 0.0 110.376 -179.422 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.466 ' C ' ' H ' ' D' ' 11' ' ' LYS . 3.2 mm? -62.79 -32.87 74.13 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.096 -1.002 . . . . 0.0 108.676 -179.726 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 83.2 p -72.8 5.61 3.09 Favored 'General case' 0 C--N 1.301 -1.536 0 N-CA-C 107.923 -1.139 . . . . 0.0 107.923 178.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.486 ' O ' ' OXT' ' D' ' 12' ' ' GLN . 69.5 mmtt 60.73 39.71 17.08 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.486 ' OXT' ' O ' ' D' ' 11' ' ' LYS . 63.9 tt0 . . . . . 0 N--CA 1.495 1.801 0 CA-C-O 117.806 -1.092 . . . . 0.0 110.161 179.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.912 0 N-CA-C 119.507 2.563 . . . . 0.0 119.507 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -106.84 -5.84 18.08 Favored 'General case' 0 N--CA 1.498 1.926 0 O-C-N 121.557 -0.967 . . . . 0.0 108.867 178.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.439 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.8 mp0 -63.09 -53.02 60.21 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.455 -0.778 . . . . 0.0 110.065 -179.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.408 HD13 HD23 ' B' ' 11' ' ' LEU . 14.3 tp -59.84 -36.68 77.32 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.428 -0.795 . . . . 0.0 109.919 -177.532 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -58.13 -44.87 88.0 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 121.288 -0.883 . . . . 0.0 109.162 179.162 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 32.1 p -67.76 -32.75 73.56 Favored 'General case' 0 C--N 1.302 -1.462 0 O-C-N 121.594 -0.691 . . . . 0.0 110.051 179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.462 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.97 -46.79 75.12 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.513 -0.742 . . . . 0.0 109.524 -178.403 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 50.4 mmm -60.05 -40.0 87.91 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.121 -0.987 . . . . 0.0 109.898 179.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 85.5 tt0 -62.92 -39.88 95.9 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.42 -0.8 . . . . 0.0 110.445 -179.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.486 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 23.0 p -70.53 -47.12 61.94 Favored 'General case' 0 C--N 1.298 -1.654 0 O-C-N 121.55 -0.719 . . . . 0.0 112.291 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 53.7 mt -60.12 -39.96 88.04 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.566 -0.709 . . . . 0.0 111.125 -178.3 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -81.42 -29.94 10.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 121.254 -0.904 . . . . 0.0 111.3 -177.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.413 HD22 ' HG2' ' B' ' 3' ' ' GLU . 42.8 t30 -60.54 -40.01 89.97 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.199 -1.563 . . . . 0.0 108.57 179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.1 m -80.5 -36.57 16.15 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.708 0 CA-C-N 115.745 -0.661 . . . . 0.0 111.544 -179.419 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 61.0 t80 -59.94 -52.67 64.43 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 120.948 -1.095 . . . . 0.0 111.201 -178.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 43.2 t-80 -71.76 -28.26 63.52 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.686 -0.634 . . . . 0.0 111.101 -178.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.75 -59.82 2.7 Favored 'General case' 0 C--N 1.301 -1.531 0 C-N-CA 118.732 -1.187 . . . . 0.0 110.66 -178.471 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 48.9 m-70 -66.46 -40.06 89.19 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 120.725 -1.235 . . . . 0.0 111.968 -177.249 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 97.8 p -68.34 -17.53 64.27 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.107 -0.996 . . . . 0.0 112.37 -177.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.44 16.17 24.45 Favored Glycine 0 N--CA 1.502 3.086 0 O-C-N 121.186 -0.946 . . . . 0.0 111.818 -177.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 91.4 mttt -67.98 -30.48 69.76 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 119.94 1.87 . . . . 0.0 108.393 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 75.8 mm-40 -100.18 0.37 40.35 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 121.925 -0.485 . . . . 0.0 109.881 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.17 34.38 37.39 Favored Glycine 0 N--CA 1.493 2.461 0 C-N-CA 119.818 -1.182 . . . . 0.0 110.686 178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.58 46.35 1.37 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.95 -1.323 . . . . 0.0 108.974 179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt 49.62 -133.37 1.58 Allowed 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.187 -1.042 . . . . 0.0 108.187 -178.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -125.37 76.35 1.55 Allowed 'General case' 0 N--CA 1.5 2.057 0 CA-C-O 122.226 1.012 . . . . 0.0 109.814 179.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.6 150.92 26.92 Favored 'General case' 0 N--CA 1.49 1.528 0 N-CA-C 106.395 -1.706 . . . . 0.0 106.395 177.404 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.5 mm? -97.49 160.1 14.52 Favored 'General case' 0 N--CA 1.494 1.759 0 CA-C-O 122.598 1.189 . . . . 0.0 111.396 -177.603 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.509 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 42.3 t -128.95 163.36 25.49 Favored 'General case' 0 C--N 1.294 -1.835 0 N-CA-C 106.63 -1.618 . . . . 0.0 106.63 178.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 56.1 tttt -51.01 -40.0 57.13 Favored 'General case' 0 C--N 1.294 -1.817 0 C-N-CA 118.379 -1.329 . . . . 0.0 110.171 -179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 53.6 pttt -75.46 -30.0 59.82 Favored 'General case' 0 N--CA 1.5 2.032 0 O-C-N 120.596 -1.315 . . . . 0.0 112.083 -179.199 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.509 ' HB2' ' H ' ' A' ' 29' ' ' SER . 94.5 mt-10 -75.5 -34.4 60.84 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 120.585 -1.322 . . . . 0.0 108.569 178.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.95 -40.04 75.69 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.769 -0.582 . . . . 0.0 111.624 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.7 mtpt -64.64 -39.97 94.63 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.786 -1.196 . . . . 0.0 111.572 -178.347 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.406 ' OD1' ' O ' ' A' ' 35' ' ' ASP . 50.8 t0 -79.66 -31.09 41.39 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.944 -1.097 . . . . 0.0 110.394 -178.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 38.9 tp -69.0 -40.08 78.95 Favored 'General case' 0 C--N 1.295 -1.793 0 O-C-N 121.26 -0.9 . . . . 0.0 112.279 -178.28 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.631 HD21 ' CE2' ' A' ' 74' ' ' PHE . 90.8 mt -82.8 -38.55 22.96 Favored 'General case' 0 N--CA 1.502 2.132 0 O-C-N 120.567 -1.333 . . . . 0.0 112.049 -177.949 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.553 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.5 pp0? -69.51 -37.72 77.29 Favored 'General case' 0 C--N 1.3 -1.565 0 O-C-N 120.656 -1.278 . . . . 0.0 110.396 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.553 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 76.0 m -80.13 -66.49 0.87 Allowed 'General case' 0 C--N 1.306 -1.291 0 C-N-CA 119.524 -0.871 . . . . 0.0 111.363 -178.017 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 30.9 mp0 -69.4 -40.13 77.52 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.728 -0.607 . . . . 0.0 111.433 -177.729 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.8 69.95 0.7 Allowed 'General case' 0 N--CA 1.507 2.383 0 CA-C-O 122.409 1.099 . . . . 0.0 110.287 -179.463 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.633 ' O ' ' N ' ' A' ' 44' ' ' PHE . 86.4 p -81.98 -149.89 0.08 Allowed 'General case' 0 C--N 1.296 -1.726 0 N-CA-C 108.743 -0.836 . . . . 0.0 108.743 178.195 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 45.7 t 45.3 -10.81 0.0 OUTLIER 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 114.641 1.349 . . . . 0.0 114.641 176.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.633 ' N ' ' O ' ' A' ' 42' ' ' SER . 92.6 m-85 -145.1 -75.42 0.22 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 120.019 -1.676 . . . . 0.0 111.127 -178.121 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.424 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.8 mm? -61.24 131.78 51.5 Favored 'General case' 0 C--N 1.305 -1.348 0 O-C-N 120.822 -1.174 . . . . 0.0 108.945 -178.622 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.492 ' OD1' ' NZ ' ' A' ' 49' ' ' LYS . 96.3 m-20 -114.29 146.88 39.9 Favored 'General case' 0 N--CA 1.492 1.651 0 N-CA-C 108.135 -1.061 . . . . 0.0 108.135 179.839 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.467 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 2.4 m -153.72 -37.52 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.44 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.41 ' N ' ' CG2' ' A' ' 47' ' ' VAL . 96.3 mt-30 -75.22 -50.34 16.51 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.409 -0.807 . . . . 0.0 111.631 -178.713 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.492 ' NZ ' ' OD1' ' A' ' 46' ' ' ASP . 10.3 ptpt -68.28 -39.96 81.97 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.051 -1.031 . . . . 0.0 111.143 -178.494 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 50' ' ' ASP . 49.0 t0 -99.31 102.9 14.66 Favored 'General case' 0 N--CA 1.499 2.019 0 O-C-N 120.988 -1.07 . . . . 0.0 109.768 -179.133 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.65 -36.04 67.88 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.383 -0.823 . . . . 0.0 109.541 179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 91.2 m-20 -59.9 -39.41 85.28 Favored 'General case' 0 C--N 1.303 -1.452 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.528 ' N ' ' NZ ' ' C' ' 7' ' ' LYS . . . -63.11 -37.68 88.16 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.597 -0.689 . . . . 0.0 111.257 179.408 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.467 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 62.0 t -69.73 -56.0 13.01 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 O-C-N 120.839 -1.163 . . . . 0.0 111.912 -177.635 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -67.01 -40.16 87.24 Favored 'General case' 0 C--N 1.295 -1.803 0 O-C-N 120.565 -1.334 . . . . 0.0 110.958 -177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.1 mttp -70.51 -40.01 73.78 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.027 -1.046 . . . . 0.0 111.617 -177.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' A' ' 61' ' ' LEU . 97.8 mt -78.1 -55.01 11.27 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.439 0 O-C-N 121.115 -0.99 . . . . 0.0 110.031 -178.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.505 ' SD ' ' OD1' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -60.28 -45.39 93.5 Favored 'General case' 0 C--N 1.291 -1.937 0 O-C-N 121.781 -0.575 . . . . 0.0 111.362 -178.109 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 63.6 tttp -68.58 -39.29 81.03 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.052 -1.03 . . . . 0.0 109.968 -179.182 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -85.36 -16.71 38.99 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 120.978 -1.076 . . . . 0.0 108.724 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' A' ' 57' ' ' ILE . 68.1 tp -85.82 -16.41 38.82 Favored 'General case' 0 N--CA 1.504 2.268 0 N-CA-C 106.13 -1.804 . . . . 0.0 106.13 179.226 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.526 ' OD2' ' N ' ' A' ' 68' ' ' GLU . 0.3 OUTLIER -91.29 47.16 1.36 Allowed 'General case' 0 N--CA 1.494 1.742 0 N-CA-C 103.135 -2.913 . . . . 0.0 103.135 174.382 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.505 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.3 tt0 -47.59 -22.9 0.55 Allowed 'General case' 0 C--N 1.29 -2.012 0 CA-C-N 111.606 -2.543 . . . . 0.0 109.619 -178.698 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 83.2 m-20 -86.27 0.02 54.77 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 120.757 -1.215 . . . . 0.0 107.919 179.207 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 66.08 34.62 88.86 Favored Glycine 0 N--CA 1.493 2.498 0 N-CA-C 111.467 -0.653 . . . . 0.0 111.467 178.107 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.536 ' OD1' ' N ' ' A' ' 66' ' ' ASP . 10.5 p-10 -100.64 -18.53 16.52 Favored 'General case' 0 N--CA 1.5 2.073 0 O-C-N 121.087 -1.243 . . . . 0.0 110.416 179.689 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.35 -0.22 85.08 Favored Glycine 0 N--CA 1.498 2.809 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.526 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 94.1 mt-10 -125.11 141.83 51.87 Favored 'General case' 0 C--N 1.312 -1.055 0 N-CA-C 107.113 -1.44 . . . . 0.0 107.113 179.427 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.2 t -104.86 125.36 59.83 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.721 0 CA-C-O 122.028 0.918 . . . . 0.0 110.181 -177.26 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.517 ' OD1' ' CD1' ' A' ' 71' ' ' PHE . 10.3 t70 -77.89 160.33 28.33 Favored 'General case' 0 C--N 1.3 -1.546 0 O-C-N 121.423 -0.798 . . . . 0.0 108.906 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.517 ' CD1' ' OD1' ' A' ' 70' ' ' ASP . 11.9 p90 -58.41 -28.32 65.11 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.083 -1.01 . . . . 0.0 110.629 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 76' ' ' VAL . 88.0 mt-30 -70.01 -40.08 75.45 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.349 -1.469 . . . . 0.0 109.553 179.489 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 42.4 mt-10 -73.54 -39.97 64.35 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.006 -1.059 . . . . 0.0 110.287 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.631 ' CE2' HD21 ' A' ' 37' ' ' LEU . 6.7 t80 -67.68 -40.67 84.39 Favored 'General case' 0 N--CA 1.499 1.982 0 O-C-N 121.479 -0.763 . . . . 0.0 111.322 -178.783 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 9.9 p -74.81 -31.97 27.25 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.886 0 O-C-N 121.354 -0.841 . . . . 0.0 110.502 -178.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.452 HG23 ' O ' ' A' ' 72' ' ' GLN . 41.8 t -72.08 -59.32 3.53 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.672 0 O-C-N 121.255 -0.903 . . . . 0.0 111.716 -178.653 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.3 tt -69.99 -40.01 75.59 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 120.77 -1.207 . . . . 0.0 112.047 -177.041 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.9 t -68.23 -39.89 81.83 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.788 0 O-C-N 120.675 -1.266 . . . . 0.0 110.164 -178.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.4 -24.36 59.1 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.221 -0.925 . . . . 0.0 109.055 179.542 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -68.55 -27.15 65.83 Favored 'General case' 0 C--N 1.303 -1.448 0 O-C-N 120.794 -1.191 . . . . 0.0 109.989 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 23.4 mt -91.81 -33.32 15.02 Favored 'General case' 0 N--CA 1.505 2.28 0 O-C-N 120.98 -1.075 . . . . 0.0 110.172 -179.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.464 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 1.7 t -64.32 -49.62 71.02 Favored 'General case' 0 C--N 1.296 -1.75 0 O-C-N 121.15 -0.969 . . . . 0.0 109.544 -179.191 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.464 ' N ' ' CG2' ' A' ' 82' ' ' THR . 60.9 t -75.04 -41.76 45.43 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.898 -1.126 . . . . 0.0 110.749 179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.21 -35.59 75.77 Favored 'General case' 0 C--N 1.299 -1.625 0 C-N-CA 119.902 -0.719 . . . . 0.0 110.534 -178.052 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 53.9 t -63.83 -41.32 97.87 Favored 'General case' 0 C--N 1.299 -1.616 0 O-C-N 121.37 -0.831 . . . . 0.0 109.097 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.408 ' O ' ' CE1' ' A' ' 89' ' ' PHE . 43.2 t30 -60.29 -41.4 93.29 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.487 -0.758 . . . . 0.0 110.562 -179.649 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.2 t-20 -60.02 -43.1 95.51 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.046 -1.033 . . . . 0.0 110.975 -178.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' A' ' 89' ' ' PHE . 65.4 m-85 -69.96 -30.21 67.52 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.942 -1.099 . . . . 0.0 110.4 -179.608 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' A' ' 88' ' ' PHE . 64.2 m-85 53.67 172.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.372 -0.83 . . . . 0.0 109.485 -179.465 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 15.3 m-90 -82.73 -10.61 58.82 Favored 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.268 -0.895 . . . . 0.0 109.368 179.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.11 -39.95 87.99 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.472 -0.767 . . . . 0.0 109.435 179.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 15.1 t-20 -105.64 -27.92 11.05 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.251 -0.906 . . . . 0.0 108.741 179.498 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.9 t . . . . . 0 C--N 1.303 -1.428 0 CA-C-O 118.035 -0.983 . . . . 0.0 109.896 -178.785 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.876 0 N-CA-C 119.306 2.483 . . . . 0.0 119.306 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -106.64 -5.54 18.56 Favored 'General case' 0 N--CA 1.498 1.963 0 O-C-N 121.488 -1.007 . . . . 0.0 108.764 178.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.455 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.8 mp0 -63.34 -53.02 59.09 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.488 -0.758 . . . . 0.0 110.074 -179.791 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . . . . . . . . . 15.8 tp -59.94 -36.46 77.11 Favored 'General case' 0 N--CA 1.494 1.738 0 O-C-N 121.41 -0.806 . . . . 0.0 109.905 -177.582 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.0 tt0 -58.12 -45.1 87.89 Favored 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 122.115 0.96 . . . . 0.0 109.169 179.108 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 33.2 p -67.87 -31.33 71.06 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.504 -0.747 . . . . 0.0 109.939 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.486 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -56.59 -45.95 81.11 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 119.408 -0.917 . . . . 0.0 109.294 -176.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 49.9 mmm -59.97 -40.06 87.8 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.38 -0.825 . . . . 0.0 109.665 179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 86.0 tt0 -62.9 -39.98 96.15 Favored 'General case' 0 N--CA 1.491 1.607 0 CA-C-O 121.584 0.707 . . . . 0.0 110.281 -179.649 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.462 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 22.4 p -70.31 -47.14 62.46 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.529 -0.732 . . . . 0.0 112.173 -177.404 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.408 HD23 HD13 ' A' ' 4' ' ' LEU . 59.2 mt -60.0 -40.12 88.1 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.513 -0.742 . . . . 0.0 111.356 -178.387 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.1 mt -80.9 -31.3 12.15 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.871 0 O-C-N 121.198 -0.939 . . . . 0.0 110.993 -177.735 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.03 -39.86 87.35 Favored 'General case' 0 C--N 1.292 -1.911 0 O-C-N 120.468 -1.395 . . . . 0.0 108.031 -179.346 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 28.1 m -80.4 -36.52 16.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.578 0 CA-C-N 115.983 -0.553 . . . . 0.0 111.645 -179.499 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.06 -52.5 65.1 Favored 'General case' 0 N--CA 1.496 1.854 0 O-C-N 120.939 -1.101 . . . . 0.0 111.218 -178.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 42.6 t-80 -71.97 -28.02 63.16 Favored 'General case' 0 C--N 1.301 -1.542 0 O-C-N 121.648 -0.657 . . . . 0.0 111.022 -178.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -69.81 -59.89 2.65 Favored 'General case' 0 C--N 1.302 -1.472 0 O-C-N 120.638 -1.288 . . . . 0.0 110.596 -178.535 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.54 ' CE1' ' OE2' ' B' ' 40' ' ' GLU . 49.3 m-70 -66.52 -39.96 88.92 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 120.801 -1.187 . . . . 0.0 111.932 -177.218 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 96.4 p -68.45 -17.33 64.17 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.054 -1.029 . . . . 0.0 112.332 -177.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.61 15.43 24.41 Favored Glycine 0 N--CA 1.502 3.096 0 C-N-CA 120.317 -0.944 . . . . 0.0 111.769 -177.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 90.9 mttt -67.45 -30.45 70.18 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.028 -1.866 . . . . 0.0 108.503 -179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 76.0 mm-40 -100.21 0.34 40.22 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.853 -0.529 . . . . 0.0 109.982 -179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 78.09 34.6 37.01 Favored Glycine 0 N--CA 1.493 2.466 0 C-N-CA 119.836 -1.173 . . . . 0.0 110.642 178.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -87.82 46.79 1.42 Allowed 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.959 -1.318 . . . . 0.0 108.864 179.557 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 99.8 mttt 49.11 -133.26 1.53 Allowed 'General case' 0 N--CA 1.49 1.564 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 -178.873 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 3.6 m-85 -125.46 76.47 1.56 Allowed 'General case' 0 N--CA 1.501 2.124 0 CA-C-O 122.167 0.984 . . . . 0.0 109.759 179.623 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.9 ttmp? -155.94 150.85 26.31 Favored 'General case' 0 N--CA 1.49 1.526 0 N-CA-C 106.432 -1.692 . . . . 0.0 106.432 177.338 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.42 160.13 14.51 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 122.724 1.25 . . . . 0.0 111.516 -177.518 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.513 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 41.9 t -128.83 163.29 25.53 Favored 'General case' 0 C--N 1.295 -1.763 0 N-CA-C 106.717 -1.586 . . . . 0.0 106.717 178.865 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 49.3 tttt -50.89 -39.96 55.5 Favored 'General case' 0 C--N 1.293 -1.861 0 C-N-CA 118.353 -1.339 . . . . 0.0 110.114 -179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -75.82 -29.74 58.75 Favored 'General case' 0 N--CA 1.502 2.127 0 O-C-N 120.569 -1.332 . . . . 0.0 112.069 -179.133 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.513 ' HB2' ' H ' ' B' ' 29' ' ' SER . 94.3 mt-10 -75.64 -34.26 60.52 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 120.457 -1.402 . . . . 0.0 108.54 178.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.6 tt -69.93 -40.08 75.72 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 121.653 -0.654 . . . . 0.0 111.61 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 57.0 mtpt -64.5 -39.99 94.82 Favored 'General case' 0 N--CA 1.502 2.162 0 O-C-N 120.795 -1.191 . . . . 0.0 111.546 -178.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.405 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 50.5 t0 -79.63 -31.03 41.56 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.894 -1.128 . . . . 0.0 110.329 -178.896 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 33.1 tp -69.01 -40.01 78.95 Favored 'General case' 0 C--N 1.296 -1.751 0 O-C-N 121.266 -0.897 . . . . 0.0 112.378 -178.258 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.634 HD21 ' CE2' ' B' ' 74' ' ' PHE . 90.8 mt -82.68 -39.53 21.91 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.564 -1.335 . . . . 0.0 111.833 -178.024 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.553 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.5 pp0? -68.47 -38.12 80.78 Favored 'General case' 0 C--N 1.299 -1.601 0 O-C-N 120.715 -1.241 . . . . 0.0 110.345 -178.102 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.553 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 70.0 m -79.95 -66.69 0.84 Allowed 'General case' 0 C--N 1.306 -1.317 0 C-N-CA 119.531 -0.868 . . . . 0.0 111.291 -177.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.54 ' OE2' ' CE1' ' B' ' 18' ' ' HIS . 30.9 mp0 -69.48 -40.1 77.29 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.66 -0.65 . . . . 0.0 111.417 -177.591 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -112.79 69.92 0.7 Allowed 'General case' 0 N--CA 1.507 2.386 0 CA-C-O 122.416 1.103 . . . . 0.0 110.245 -179.388 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.63 ' O ' ' N ' ' B' ' 44' ' ' PHE . 84.0 p -81.98 -149.95 0.08 Allowed 'General case' 0 C--N 1.298 -1.668 0 N-CA-C 108.747 -0.834 . . . . 0.0 108.747 178.219 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 47.5 t 45.19 -10.43 0.0 OUTLIER 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 114.725 1.38 . . . . 0.0 114.725 176.438 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.63 ' N ' ' O ' ' B' ' 42' ' ' SER . 91.3 m-85 -145.38 -75.27 0.22 Allowed 'General case' 0 N--CA 1.5 2.027 0 O-C-N 119.971 -1.706 . . . . 0.0 111.232 -178.189 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.419 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -61.44 131.8 51.36 Favored 'General case' 0 C--N 1.303 -1.446 0 O-C-N 120.848 -1.157 . . . . 0.0 108.881 -178.678 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.452 ' OD1' ' NZ ' ' B' ' 49' ' ' LYS . 96.8 m-20 -114.4 146.95 39.95 Favored 'General case' 0 N--CA 1.491 1.604 0 N-CA-C 108.07 -1.085 . . . . 0.0 108.07 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.464 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 2.7 m -153.73 -37.73 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.491 0 N-CA-C 107.329 -1.359 . . . . 0.0 107.329 178.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.409 ' N ' ' CG2' ' B' ' 47' ' ' VAL . 97.2 mt-30 -75.2 -50.07 17.39 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.515 -0.741 . . . . 0.0 111.719 -178.669 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.452 ' NZ ' ' OD1' ' B' ' 46' ' ' ASP . 10.2 ptpt -68.51 -40.13 80.96 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.024 -1.048 . . . . 0.0 111.053 -178.549 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 50.9 t0 -98.9 102.9 14.78 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.084 -1.01 . . . . 0.0 109.862 -179.2 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -72.99 -35.71 66.92 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.397 -0.814 . . . . 0.0 109.506 179.399 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.476 ' C ' ' HZ2' ' D' ' 7' ' ' LYS . 89.6 m-20 -60.05 -38.98 84.4 Favored 'General case' 0 C--N 1.305 -1.361 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 -179.241 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.617 ' N ' ' NZ ' ' D' ' 7' ' ' LYS . . . -63.95 -35.58 81.15 Favored 'General case' 0 C--N 1.3 -1.568 0 O-C-N 121.683 -0.635 . . . . 0.0 111.604 179.691 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 65.5 t -71.22 -55.88 12.4 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.559 0 O-C-N 120.781 -1.199 . . . . 0.0 111.942 -178.464 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 45.0 t0 -66.99 -40.13 87.29 Favored 'General case' 0 C--N 1.293 -1.88 0 O-C-N 120.666 -1.271 . . . . 0.0 111.016 -177.5 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.5 mttp -70.52 -40.06 73.73 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.104 -0.997 . . . . 0.0 111.581 -178.059 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.509 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -78.21 -54.85 11.49 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.468 0 O-C-N 121.123 -0.986 . . . . 0.0 110.245 -178.075 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.492 ' SD ' ' OD1' ' B' ' 62' ' ' ASP . 0.0 OUTLIER -59.99 -45.67 91.96 Favored 'General case' 0 C--N 1.293 -1.875 0 O-C-N 121.738 -0.601 . . . . 0.0 111.428 -178.379 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 63.1 tttp -68.39 -39.61 81.65 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.135 -0.978 . . . . 0.0 109.939 -179.007 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -85.29 -16.82 38.79 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.035 -1.041 . . . . 0.0 108.735 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' B' ' 57' ' ' ILE . 67.7 tp -85.66 -16.32 39.52 Favored 'General case' 0 N--CA 1.505 2.277 0 N-CA-C 106.253 -1.758 . . . . 0.0 106.253 179.129 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.535 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 0.3 OUTLIER -91.42 46.88 1.33 Allowed 'General case' 0 N--CA 1.493 1.688 0 N-CA-C 103.099 -2.926 . . . . 0.0 103.099 174.415 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.506 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.4 tt0 -47.27 -22.83 0.45 Allowed 'General case' 0 C--N 1.29 -2.006 0 CA-C-N 111.633 -2.53 . . . . 0.0 109.572 -178.764 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 83.5 m-20 -86.32 0.02 54.85 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.848 -1.157 . . . . 0.0 108.061 179.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 66.88 32.72 81.86 Favored Glycine 0 N--CA 1.492 2.432 0 C-N-CA 120.76 -0.733 . . . . 0.0 111.737 178.077 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.454 ' OD1' ' N ' ' B' ' 66' ' ' ASP . 10.8 p-10 -99.57 -19.0 17.09 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 120.987 -1.302 . . . . 0.0 110.409 -179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 80.58 0.0 86.46 Favored Glycine 0 N--CA 1.497 2.743 0 N-CA-C 109.771 -1.332 . . . . 0.0 109.771 179.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.535 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 94.4 mt-10 -125.34 141.86 51.83 Favored 'General case' 0 N--CA 1.476 0.849 0 N-CA-C 106.934 -1.506 . . . . 0.0 106.934 179.355 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 95.1 t -104.42 125.42 59.25 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.81 0 CA-C-O 121.946 0.879 . . . . 0.0 110.252 -177.315 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.516 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 10.4 t70 -77.59 160.29 28.66 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.419 -0.801 . . . . 0.0 109.039 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.516 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 12.7 p90 -58.39 -28.4 65.15 Favored 'General case' 0 C--N 1.298 -1.651 0 O-C-N 121.137 -0.977 . . . . 0.0 110.541 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.472 ' O ' HG23 ' B' ' 76' ' ' VAL . 88.5 mt-30 -70.11 -39.95 75.21 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.312 -1.492 . . . . 0.0 109.573 179.516 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -73.54 -40.06 64.27 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.92 -1.113 . . . . 0.0 110.329 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.634 ' CE2' HD21 ' B' ' 37' ' ' LEU . 5.8 t80 -67.78 -40.24 84.0 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 121.52 -0.738 . . . . 0.0 111.385 -178.688 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.421 HG12 ' O ' ' B' ' 71' ' ' PHE . 9.4 p -75.09 -31.87 25.64 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.917 0 O-C-N 121.458 -0.776 . . . . 0.0 110.454 -179.052 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.472 HG23 ' O ' ' B' ' 72' ' ' GLN . 45.7 t -72.24 -58.99 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 O-C-N 121.214 -0.929 . . . . 0.0 111.66 -178.643 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -70.03 -39.99 75.45 Favored 'General case' 0 N--CA 1.499 2.024 0 O-C-N 120.79 -1.194 . . . . 0.0 111.87 -176.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 40.5 t -68.51 -39.88 81.24 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.771 0 O-C-N 120.773 -1.204 . . . . 0.0 110.187 -178.516 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -74.04 -24.77 59.58 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.074 -1.016 . . . . 0.0 109.129 179.409 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.02 -22.09 63.13 Favored 'General case' 0 C--N 1.3 -1.574 0 O-C-N 120.816 -1.178 . . . . 0.0 110.623 -179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 25.4 mt -95.78 -33.67 12.18 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.792 -1.192 . . . . 0.0 109.739 179.414 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.465 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 1.8 t -64.14 -49.46 72.06 Favored 'General case' 0 C--N 1.295 -1.771 0 C-N-CA 119.275 -0.97 . . . . 0.0 109.555 -179.126 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' B' ' 82' ' ' THR . 59.3 t -75.27 -41.99 43.84 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.826 0 O-C-N 120.959 -1.088 . . . . 0.0 110.712 179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.33 -35.42 75.58 Favored 'General case' 0 C--N 1.298 -1.646 0 C-N-CA 119.869 -0.733 . . . . 0.0 110.487 -178.058 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 53.1 t -63.68 -41.4 98.17 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.237 -0.914 . . . . 0.0 109.056 -179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.411 ' O ' ' CE1' ' B' ' 89' ' ' PHE . 42.8 t30 -60.43 -41.2 93.48 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.452 -0.78 . . . . 0.0 110.653 -179.52 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 60.6 t-20 -59.97 -43.2 95.23 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.045 -1.034 . . . . 0.0 110.917 -178.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' B' ' 89' ' ' PHE . 65.2 m-85 -70.01 -30.02 67.23 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.883 -1.136 . . . . 0.0 110.426 -179.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' B' ' 88' ' ' PHE . 63.5 m-85 53.5 172.49 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.316 -0.865 . . . . 0.0 109.547 -179.487 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 15.6 m-90 -82.75 -10.67 58.78 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.281 -0.887 . . . . 0.0 109.326 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -60.0 -39.97 87.6 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.345 -0.847 . . . . 0.0 109.437 179.773 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 14.3 t-20 -105.58 -28.02 11.02 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 121.258 -0.901 . . . . 0.0 108.811 179.555 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 23.3 t . . . . . 0 C--N 1.304 -1.374 0 CA-C-O 118.025 -0.988 . . . . 0.0 109.9 -178.777 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? . . . . . 0 N--CA 1.49 1.534 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 59.6 tttp -60.07 -40.67 90.32 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.375 -0.828 . . . . 0.0 109.952 -179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.04 -46.23 90.2 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.103 -0.998 . . . . 0.0 109.789 -179.577 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -67.54 -44.24 86.63 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.519 0 O-C-N 121.283 -0.885 . . . . 0.0 109.525 -179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -59.98 -47.77 84.46 Favored 'General case' 0 N--CA 1.489 1.523 0 O-C-N 121.28 -0.888 . . . . 0.0 109.837 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -63.64 -40.01 95.79 Favored 'General case' 0 N--CA 1.491 1.575 0 O-C-N 121.166 -0.959 . . . . 0.0 109.931 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.4 ttpt -59.97 -43.61 94.96 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.199 -0.938 . . . . 0.0 109.597 -179.847 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.648 HD13 HD11 ' A' ' 57' ' ' ILE . 21.1 tp -60.12 -51.61 68.89 Favored 'General case' 0 C--N 1.3 -1.551 0 O-C-N 121.413 -0.805 . . . . 0.0 110.872 -179.133 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 57.1 mt -70.06 -39.96 75.37 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.881 -1.137 . . . . 0.0 110.336 -178.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 89.6 p -62.36 -42.49 99.45 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.941 -1.099 . . . . 0.0 109.673 -179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -69.8 -40.07 76.19 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.368 -0.832 . . . . 0.0 109.564 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 12.4 tm0? . . . . . 0 N--CA 1.491 1.576 0 CA-C-O 118.028 -0.986 . . . . 0.0 109.636 179.923 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 1.2 mptm? . . . . . 0 N--CA 1.489 1.498 0 N-CA-C 109.133 -0.691 . . . . 0.0 109.133 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 58.6 tttp -60.06 -40.95 91.24 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.386 -0.821 . . . . 0.0 109.851 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.01 -46.0 90.93 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.039 -1.038 . . . . 0.0 109.865 -179.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.5 t -67.67 -44.16 86.23 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 121.262 -0.898 . . . . 0.0 109.41 -179.703 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 75.9 t-105 -60.02 -47.95 83.72 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.238 -0.914 . . . . 0.0 109.794 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 57.5 t-80 -63.54 -39.96 95.76 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.168 -0.958 . . . . 0.0 110.013 -179.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -59.94 -43.5 94.95 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.102 -0.999 . . . . 0.0 109.612 -179.881 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.662 HD13 HD11 ' B' ' 57' ' ' ILE . 21.7 tp -60.2 -51.61 68.84 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.358 -0.838 . . . . 0.0 110.83 -179.036 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 59.4 mt -70.04 -39.97 75.42 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.932 -1.105 . . . . 0.0 110.319 -178.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 88.9 p -62.31 -42.56 99.47 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.966 -1.084 . . . . 0.0 109.674 -179.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -69.62 -40.08 76.8 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.299 -0.876 . . . . 0.0 109.599 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 12.8 tm0? . . . . . 0 N--CA 1.491 1.605 0 CA-C-O 117.983 -1.008 . . . . 0.0 109.582 -179.929 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.832 0 N-CA-C 119.4 2.52 . . . . 0.0 119.4 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -108.34 -4.08 17.76 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 121.568 -0.96 . . . . 0.0 109.086 178.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.413 ' O ' ' OG1' ' A' ' 6' ' ' THR . 58.0 mp0 -64.43 -52.4 58.31 Favored 'General case' 0 N--CA 1.49 1.525 0 O-C-N 121.318 -0.864 . . . . 0.0 109.819 -179.815 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.65 ' HB2' HG21 ' B' ' 14' ' ' VAL . 17.1 tp -60.04 -39.92 87.59 Favored 'General case' 0 N--CA 1.493 1.681 0 CA-C-O 121.444 0.64 . . . . 0.0 110.25 -178.028 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.7 -48.69 77.13 Favored 'General case' 0 N--CA 1.491 1.603 0 CA-C-O 122.103 0.954 . . . . 0.0 109.683 179.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 16.4 p -65.39 -28.96 69.63 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.306 0.574 . . . . 0.0 109.519 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.432 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.8 -48.05 78.84 Favored 'General case' 0 C--N 1.291 -1.964 0 O-C-N 121.388 -0.82 . . . . 0.0 109.549 -177.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -60.05 -39.98 87.84 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 120.985 -1.072 . . . . 0.0 109.273 179.341 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -60.72 -39.99 90.68 Favored 'General case' 0 N--CA 1.495 1.779 0 O-C-N 121.452 -0.78 . . . . 0.0 110.341 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.592 ' O ' HG22 ' A' ' 14' ' ' VAL . 12.6 p -70.39 -46.35 64.19 Favored 'General case' 0 C--N 1.299 -1.591 0 CA-C-O 121.22 0.533 . . . . 0.0 111.982 -177.545 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.531 ' O ' ' CD1' ' A' ' 15' ' ' PHE . 81.0 mt -57.41 -39.58 76.46 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 121.306 -0.871 . . . . 0.0 110.172 -178.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 54.1 mt -79.88 -30.22 13.13 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.612 0 O-C-N 121.282 -0.886 . . . . 0.0 111.506 -177.559 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 8.6 t-20 -62.35 -40.06 95.16 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.022 -1.674 . . . . 0.0 109.855 179.688 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.629 HG21 ' HB2' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -81.67 -37.18 15.04 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 O-C-N 121.832 -0.542 . . . . 0.0 111.259 -179.34 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.531 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 5.6 m-30 -58.59 -51.83 68.22 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 120.923 -1.111 . . . . 0.0 110.54 -178.613 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.59 -23.88 56.51 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.534 -0.729 . . . . 0.0 111.534 -178.35 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.82 -61.01 1.99 Allowed 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.422 -1.424 . . . . 0.0 110.792 -178.526 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 39.4 t-80 -66.37 -39.32 89.04 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 120.459 -1.4 . . . . 0.0 110.069 -178.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 78.5 p -67.59 -15.7 63.79 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.321 -0.862 . . . . 0.0 111.279 -179.443 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.4 16.97 56.39 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 108.547 -1.821 . . . . 0.0 108.547 -179.419 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 21.3 ttmt -95.18 -71.47 0.67 Allowed 'General case' 0 C--N 1.305 -1.345 0 N-CA-C 106.5 -1.667 . . . . 0.0 106.5 178.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.432 ' O ' ' OE1' ' A' ' 32' ' ' GLU . 98.9 mt-10 -114.42 44.77 1.65 Allowed 'General case' 0 N--CA 1.495 1.803 0 N-CA-C 108.968 -0.753 . . . . 0.0 108.968 179.209 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.468 ' C ' ' H ' ' A' ' 25' ' ' LYS . . . -96.89 144.08 17.13 Favored Glycine 0 N--CA 1.497 2.763 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 -179.675 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.434 ' OD2' ' OE1' ' A' ' 68' ' ' GLU . 96.2 m-20 -80.27 38.51 0.42 Allowed 'General case' 0 C--N 1.305 -1.341 0 N-CA-C 107.769 -1.197 . . . . 0.0 107.769 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.549 ' O ' ' CB ' ' A' ' 26' ' ' TYR . 13.5 ttmm 65.85 79.82 0.24 Allowed 'General case' 0 C--N 1.297 -1.709 0 N-CA-C 108.307 -0.997 . . . . 0.0 108.307 -178.875 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.549 ' CB ' ' O ' ' A' ' 25' ' ' LYS . 16.3 t80 100.7 12.09 0.01 OUTLIER 'General case' 0 N--CA 1.51 2.542 0 N-CA-C 114.087 1.143 . . . . 0.0 114.087 177.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 ttmm -149.2 151.95 35.18 Favored 'General case' 0 N--CA 1.505 2.315 0 O-C-N 119.832 -1.792 . . . . 0.0 110.219 178.342 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.488 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.4 mm? -95.76 168.49 10.63 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 122.041 0.925 . . . . 0.0 110.562 -178.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 79.5 p -127.65 159.74 33.77 Favored 'General case' 0 C--N 1.3 -1.576 0 N-CA-C 106.859 -1.534 . . . . 0.0 106.859 178.387 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 15.7 tttp -48.46 -39.98 24.74 Favored 'General case' 0 C--N 1.298 -1.636 0 O-C-N 120.844 -1.16 . . . . 0.0 110.302 -179.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 47.5 tptt -71.16 -30.06 65.99 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 121.075 -1.016 . . . . 0.0 112.521 -179.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.432 ' OE1' ' O ' ' A' ' 22' ' ' GLU . 42.9 mt-10 -77.45 -35.19 54.17 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.414 -1.429 . . . . 0.0 109.985 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.77 ' O ' HD12 ' A' ' 33' ' ' LEU . 0.8 OUTLIER -71.14 -43.77 66.91 Favored 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.553 -0.717 . . . . 0.0 111.29 -179.348 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 85.9 tttt -60.69 -44.36 96.61 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 120.688 -1.257 . . . . 0.0 110.826 -179.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 81.2 m-20 -70.66 -32.63 69.97 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.286 -0.884 . . . . 0.0 109.553 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 50.2 tp -62.3 -40.09 95.13 Favored 'General case' 0 C--N 1.292 -1.931 0 O-C-N 121.544 -0.722 . . . . 0.0 112.541 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.543 HD21 ' CE2' ' A' ' 74' ' ' PHE . 87.3 mt -83.86 -38.4 21.23 Favored 'General case' 0 N--CA 1.504 2.257 0 O-C-N 120.564 -1.335 . . . . 0.0 112.472 -177.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.6 ' NE2' ' N ' ' A' ' 39' ' ' THR . 0.0 OUTLIER -70.01 -48.74 56.85 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 120.766 -1.209 . . . . 0.0 110.599 -178.037 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.6 ' N ' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -69.96 -39.99 75.68 Favored 'General case' 0 C--N 1.302 -1.465 0 O-C-N 121.495 -0.753 . . . . 0.0 112.737 -176.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 99.5 mt-10 -106.61 -30.61 8.91 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 121.289 -0.882 . . . . 0.0 112.381 -176.809 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -114.92 68.31 0.7 Allowed 'General case' 0 N--CA 1.507 2.389 0 CA-C-O 122.342 1.068 . . . . 0.0 109.958 -179.168 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.648 ' O ' ' N ' ' A' ' 44' ' ' PHE . 13.5 m -81.17 -148.39 0.06 Allowed 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 108.587 -0.894 . . . . 0.0 108.587 178.167 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 64.2 m 48.72 -22.18 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 176.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.648 ' N ' ' O ' ' A' ' 42' ' ' SER . 96.5 m-85 -141.79 -60.01 0.47 Allowed 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.245 -1.534 . . . . 0.0 111.435 -178.086 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.6 mm? -77.45 132.09 38.28 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.581 -1.324 . . . . 0.0 109.418 -178.238 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.87 159.12 33.35 Favored 'General case' 0 N--CA 1.489 1.5 0 N-CA-C 108.374 -0.973 . . . . 0.0 108.374 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.483 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 27.3 m -159.57 -34.73 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.705 0 N-CA-C 107.468 -1.308 . . . . 0.0 107.468 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.461 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.1 pt20 -75.6 -41.75 53.67 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.611 -0.68 . . . . 0.0 112.228 -177.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.9 pttp -69.85 -35.64 74.9 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 120.679 -1.263 . . . . 0.0 110.037 -178.518 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -109.77 104.81 13.83 Favored 'General case' 0 N--CA 1.5 2.068 0 O-C-N 121.48 -0.762 . . . . 0.0 110.099 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.04 -35.36 74.22 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.344 -0.848 . . . . 0.0 109.0 178.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -59.96 -40.07 87.79 Favored 'General case' 0 N--CA 1.488 1.474 0 O-C-N 121.157 -0.964 . . . . 0.0 108.639 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -59.9 -38.49 82.4 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.292 -0.88 . . . . 0.0 110.379 179.466 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.483 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 30.1 t -70.12 -57.25 8.6 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.65 0 O-C-N 121.196 -0.94 . . . . 0.0 112.083 -177.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -61.68 -42.92 99.58 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.407 -1.433 . . . . 0.0 111.561 -176.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 5.6 mptp? -70.1 -39.9 75.26 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 121.156 -0.965 . . . . 0.0 111.322 -177.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.648 HD11 HD13 ' C' ' 8' ' ' LEU . 96.8 mt -77.49 -52.32 16.63 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.421 0 O-C-N 120.849 -1.157 . . . . 0.0 110.464 -177.331 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.464 ' CE ' ' OD2' ' A' ' 62' ' ' ASP . 0.0 OUTLIER -59.98 -48.31 82.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.511 -0.743 . . . . 0.0 110.882 -178.143 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.57 -39.12 84.89 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.277 -0.89 . . . . 0.0 110.238 -178.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.5 mm-40 -88.25 -16.98 31.76 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.956 -1.09 . . . . 0.0 109.855 -179.203 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.512 ' C ' ' H ' ' A' ' 63' ' ' GLU . 63.3 tp -80.68 -14.58 58.01 Favored 'General case' 0 N--CA 1.503 2.181 0 N-CA-C 105.78 -1.933 . . . . 0.0 105.78 179.517 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.552 ' O ' ' N ' ' A' ' 64' ' ' ASN . 12.1 m-20 -94.81 37.42 1.14 Allowed 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 103.816 -2.661 . . . . 0.0 103.816 174.419 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.512 ' H ' ' C ' ' A' ' 61' ' ' LEU . 85.4 tt0 -35.71 -21.54 0.01 OUTLIER 'General case' 0 C--N 1.293 -1.889 0 CA-C-N 112.071 -2.331 . . . . 0.0 111.349 -179.602 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.552 ' N ' ' O ' ' A' ' 62' ' ' ASP . 22.9 t-20 -86.03 -6.7 58.99 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 120.657 -1.277 . . . . 0.0 108.707 -179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.474 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 85.53 29.14 27.88 Favored Glycine 0 N--CA 1.482 1.745 0 N-CA-C 110.033 -1.227 . . . . 0.0 110.033 178.184 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.63 ' C ' ' H ' ' A' ' 68' ' ' GLU . 23.4 p-10 -109.83 114.37 27.89 Favored 'General case' 0 N--CA 1.483 1.206 0 N-CA-C 104.828 -2.286 . . . . 0.0 104.828 178.214 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.53 15.19 0.05 OUTLIER Glycine 0 N--CA 1.491 2.351 0 C-N-CA 118.206 -1.95 . . . . 0.0 110.863 -178.707 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.63 ' H ' ' C ' ' A' ' 66' ' ' ASP . 43.9 mt-10 -120.5 141.86 49.82 Favored 'General case' 0 C--N 1.311 -1.086 0 N-CA-C 106.95 -1.5 . . . . 0.0 106.95 179.058 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 56.1 t -104.58 131.28 53.94 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.177 -0.952 . . . . 0.0 111.244 -177.448 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.498 ' OD1' ' N ' ' A' ' 71' ' ' PHE . 9.3 t70 -79.94 156.75 27.1 Favored 'General case' 0 N--CA 1.489 1.517 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.758 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.498 ' N ' ' OD1' ' A' ' 70' ' ' ASP . 43.7 p90 -60.16 -38.92 84.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.237 -0.914 . . . . 0.0 110.161 179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.406 ' N ' ' CG ' ' A' ' 71' ' ' PHE . 54.6 tt0 -60.03 -40.77 90.5 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.097 -1.002 . . . . 0.0 110.84 -178.749 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.429 ' OE2' ' O ' ' A' ' 61' ' ' LEU . 37.8 mt-10 -69.03 -40.03 78.87 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.775 -1.203 . . . . 0.0 110.352 -179.551 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.543 ' CE2' HD21 ' A' ' 37' ' ' LEU . 20.7 t80 -62.46 -42.12 99.25 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.516 -0.74 . . . . 0.0 112.164 -178.574 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.77 -35.2 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.734 0 O-C-N 120.915 -1.116 . . . . 0.0 111.007 -177.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.5 t -70.01 -60.17 2.73 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.779 0 O-C-N 121.133 -0.98 . . . . 0.0 111.983 -178.314 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 4.5 tp -70.64 -40.53 73.03 Favored 'General case' 0 N--CA 1.498 1.93 0 O-C-N 120.88 -1.137 . . . . 0.0 112.511 -176.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 39.5 t -68.14 -40.81 83.5 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.794 0 O-C-N 120.579 -1.326 . . . . 0.0 110.16 -178.175 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.83 -26.15 61.38 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.211 -0.931 . . . . 0.0 108.885 179.671 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.32 -26.6 68.12 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.389 -0.819 . . . . 0.0 109.203 179.352 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 14.6 mt -92.86 -25.95 17.87 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 121.377 -0.827 . . . . 0.0 109.419 -179.522 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.47 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.5 OUTLIER -64.45 -55.04 23.47 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.409 -0.807 . . . . 0.0 110.253 -179.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.47 ' N ' ' CG2' ' A' ' 82' ' ' THR . 4.5 m -80.16 -34.09 14.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.958 0 O-C-N 120.559 -1.338 . . . . 0.0 110.726 -179.635 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.73 -40.1 93.89 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.939 -1.1 . . . . 0.0 110.155 -179.6 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.7 t -66.42 -40.01 89.28 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.292 -0.88 . . . . 0.0 109.482 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.9 t30 -59.92 -39.67 86.24 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.546 -0.721 . . . . 0.0 110.18 -179.728 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 97.1 m-20 -60.0 -40.0 87.72 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.161 -0.962 . . . . 0.0 110.007 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 69.4 m-85 -67.62 -40.03 84.67 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 120.856 -1.153 . . . . 0.0 109.204 179.614 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.403 ' CZ ' ' OE1' ' A' ' 91' ' ' GLU . 1.9 t80 56.28 88.14 0.05 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.229 -0.919 . . . . 0.0 109.276 179.237 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.495 ' C ' ' H ' ' A' ' 92' ' ' ASN . 83.1 m95 -61.92 -21.23 64.57 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.38 -0.825 . . . . 0.0 109.953 -179.638 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.403 ' OE1' ' CZ ' ' A' ' 89' ' ' PHE . 99.1 mt-10 -62.03 5.82 0.09 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.271 -0.893 . . . . 0.0 110.292 -179.328 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.495 ' H ' ' C ' ' A' ' 90' ' ' TRP . 91.4 m-20 -84.68 -4.05 58.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 120.929 -1.107 . . . . 0.0 108.39 179.705 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 87.7 p . . . . . 0 C--N 1.302 -1.486 0 CA-C-O 118.094 -0.955 . . . . 0.0 109.824 -179.853 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.881 0 N-CA-C 119.527 2.571 . . . . 0.0 119.527 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.2 p -108.02 -4.35 17.9 Favored 'General case' 0 N--CA 1.498 1.96 0 O-C-N 121.398 -1.06 . . . . 0.0 109.024 178.701 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 58.0 mp0 -64.27 -52.61 57.82 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.347 -0.845 . . . . 0.0 109.71 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.629 ' HB2' HG21 ' A' ' 14' ' ' VAL . 17.9 tp -60.04 -40.0 87.86 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 121.326 0.584 . . . . 0.0 110.282 -177.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 94.6 mt-10 -56.53 -48.89 76.29 Favored 'General case' 0 C--N 1.3 -1.556 0 CA-C-O 122.156 0.979 . . . . 0.0 109.7 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . . . . . . . . . 16.4 p -65.19 -27.92 69.03 Favored 'General case' 0 C--N 1.294 -1.818 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.46 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.24 -46.94 85.03 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 119.026 -1.07 . . . . 0.0 109.485 -176.194 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.4 ttt -59.93 -40.06 87.62 Favored 'General case' 0 N--CA 1.489 1.487 0 O-C-N 121.126 -0.984 . . . . 0.0 109.093 179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 77.5 mm-40 -60.87 -39.94 91.1 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 121.706 0.765 . . . . 0.0 110.144 -179.543 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.609 ' O ' HG22 ' B' ' 14' ' ' VAL . 11.8 p -70.59 -46.56 63.21 Favored 'General case' 0 C--N 1.299 -1.623 0 O-C-N 121.756 -0.59 . . . . 0.0 111.884 -177.504 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.533 ' O ' ' CD1' ' B' ' 15' ' ' PHE . 83.5 mt -57.04 -39.98 75.89 Favored 'General case' 0 C--N 1.3 -1.575 0 O-C-N 121.391 -0.818 . . . . 0.0 110.184 -178.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 58.3 mt -78.58 -33.2 16.74 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.623 0 O-C-N 121.299 -0.876 . . . . 0.0 111.315 -177.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -60.06 -40.14 88.43 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 120.164 -1.585 . . . . 0.0 109.963 -179.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.65 HG21 ' HB2' ' A' ' 4' ' ' LEU . 0.4 OUTLIER -82.0 -37.43 14.9 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 O-C-N 121.777 -0.577 . . . . 0.0 111.194 -179.057 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.533 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 5.5 m-30 -58.18 -52.08 67.08 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.964 -1.085 . . . . 0.0 110.573 -178.557 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 58.5 m80 -75.54 -23.88 56.67 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.485 -0.76 . . . . 0.0 111.485 -178.261 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.91 -60.9 2.04 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.378 -1.451 . . . . 0.0 110.921 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 40.2 t-80 -66.38 -39.3 89.0 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 120.335 -1.478 . . . . 0.0 110.087 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.442 ' OG ' ' O ' ' B' ' 15' ' ' PHE . 79.0 p -67.41 -15.65 63.79 Favored 'General case' 0 N--CA 1.493 1.725 0 O-C-N 121.344 -0.848 . . . . 0.0 111.241 -179.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -90.45 16.4 57.8 Favored Glycine 0 N--CA 1.49 2.269 0 N-CA-C 108.565 -1.814 . . . . 0.0 108.565 -179.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 21.0 ttmt -94.68 -71.6 0.66 Allowed 'General case' 0 C--N 1.305 -1.327 0 N-CA-C 106.532 -1.655 . . . . 0.0 106.532 178.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.428 ' O ' ' OE1' ' B' ' 32' ' ' GLU . 99.3 mt-10 -114.25 44.52 1.67 Allowed 'General case' 0 N--CA 1.495 1.818 0 N-CA-C 109.035 -0.728 . . . . 0.0 109.035 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.467 ' C ' ' H ' ' B' ' 25' ' ' LYS . . . -96.44 144.16 17.14 Favored Glycine 0 N--CA 1.497 2.757 0 N-CA-C 109.756 -1.338 . . . . 0.0 109.756 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.429 ' OD2' ' OE1' ' B' ' 68' ' ' GLU . 96.2 m-20 -80.46 38.17 0.42 Allowed 'General case' 0 C--N 1.303 -1.418 0 N-CA-C 107.725 -1.213 . . . . 0.0 107.725 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.556 ' O ' ' CB ' ' B' ' 26' ' ' TYR . 13.8 ttmm 66.21 79.79 0.23 Allowed 'General case' 0 C--N 1.297 -1.687 0 N-CA-C 108.278 -1.008 . . . . 0.0 108.278 -178.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.556 ' CB ' ' O ' ' B' ' 25' ' ' LYS . 16.3 t80 100.66 12.16 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.505 0 N-CA-C 114.106 1.15 . . . . 0.0 114.106 177.719 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ttmm -149.36 152.07 35.17 Favored 'General case' 0 N--CA 1.507 2.403 0 O-C-N 119.791 -1.818 . . . . 0.0 110.157 178.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.49 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 1.3 mm? -95.97 168.16 10.8 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 122.097 0.951 . . . . 0.0 110.58 -178.752 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 79.8 p -127.33 159.42 34.46 Favored 'General case' 0 C--N 1.3 -1.575 0 N-CA-C 106.954 -1.499 . . . . 0.0 106.954 178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 15.8 tttp -48.02 -39.95 21.33 Favored 'General case' 0 C--N 1.298 -1.631 0 O-C-N 120.777 -1.202 . . . . 0.0 110.37 -179.605 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 48.5 tptt -71.74 -29.5 64.58 Favored 'General case' 0 N--CA 1.5 2.047 0 O-C-N 121.041 -1.037 . . . . 0.0 112.299 -179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.428 ' OE1' ' O ' ' B' ' 22' ' ' GLU . 42.7 mt-10 -77.44 -35.28 54.17 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 120.358 -1.464 . . . . 0.0 109.961 179.722 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.783 HD12 ' O ' ' B' ' 33' ' ' LEU . 0.8 OUTLIER -71.04 -43.8 67.12 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.531 -0.731 . . . . 0.0 111.399 -179.302 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 83.2 tttt -60.45 -44.66 95.61 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.65 -1.281 . . . . 0.0 110.858 -179.565 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 81.4 m-20 -70.42 -32.58 70.24 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.303 -0.873 . . . . 0.0 109.58 179.62 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -62.33 -40.09 95.22 Favored 'General case' 0 C--N 1.293 -1.876 0 O-C-N 121.508 -0.745 . . . . 0.0 112.619 -178.534 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.536 HD21 ' CE2' ' B' ' 74' ' ' PHE . 88.8 mt -84.12 -38.14 21.09 Favored 'General case' 0 N--CA 1.504 2.234 0 O-C-N 120.529 -1.357 . . . . 0.0 112.428 -177.789 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.601 ' NE2' ' N ' ' B' ' 39' ' ' THR . 0.0 OUTLIER -70.08 -48.57 57.18 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.68 -1.263 . . . . 0.0 110.746 -178.175 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.601 ' N ' ' NE2' ' B' ' 38' ' ' GLN . 94.5 m -70.01 -39.96 75.52 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.625 -0.672 . . . . 0.0 112.627 -176.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -106.76 -30.69 8.79 Favored 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.173 -0.954 . . . . 0.0 112.277 -176.56 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -115.09 68.26 0.7 Allowed 'General case' 0 N--CA 1.506 2.361 0 CA-C-O 122.279 1.038 . . . . 0.0 109.872 -179.057 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.651 ' O ' ' N ' ' B' ' 44' ' ' PHE . 12.1 m -81.07 -148.16 0.06 Allowed 'General case' 0 C--N 1.298 -1.643 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.071 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 58.1 m 48.75 -22.15 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 176.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.651 ' N ' ' O ' ' B' ' 42' ' ' SER . 96.5 m-85 -142.04 -60.02 0.46 Allowed 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.109 -1.619 . . . . 0.0 111.375 -178.055 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.454 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.8 mm? -77.48 132.13 38.27 Favored 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.594 -1.316 . . . . 0.0 109.463 -178.298 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -125.91 158.97 33.81 Favored 'General case' 0 N--CA 1.488 1.436 0 N-CA-C 108.314 -0.995 . . . . 0.0 108.314 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.48 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 28.6 m -159.47 -34.5 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.715 0 N-CA-C 107.446 -1.316 . . . . 0.0 107.446 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.457 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.1 pt20 -75.62 -41.95 52.98 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 121.656 -0.652 . . . . 0.0 112.306 -177.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.8 pttp -69.67 -35.93 75.57 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.643 -1.286 . . . . 0.0 110.002 -178.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 87.1 m-20 -109.62 104.71 13.78 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.451 -0.781 . . . . 0.0 110.081 -179.507 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.03 -35.09 74.06 Favored 'General case' 0 C--N 1.304 -1.399 0 O-C-N 121.328 -0.857 . . . . 0.0 109.051 178.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -60.05 -40.02 87.97 Favored 'General case' 0 N--CA 1.489 1.501 0 O-C-N 121.109 -0.995 . . . . 0.0 108.557 -179.555 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.453 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -61.07 -35.1 76.07 Favored 'General case' 0 C--N 1.299 -1.608 0 O-C-N 121.379 -0.826 . . . . 0.0 110.869 179.721 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 39.2 t -72.6 -56.92 8.29 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.6 0 O-C-N 121.134 -0.979 . . . . 0.0 111.959 -178.844 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 7.9 t70 -61.73 -42.99 99.68 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 120.463 -1.398 . . . . 0.0 111.595 -177.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -69.97 -40.0 75.65 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.166 -0.959 . . . . 0.0 111.316 -178.024 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.662 HD11 HD13 ' D' ' 8' ' ' LEU . 96.8 mt -77.44 -52.51 16.29 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.873 -1.142 . . . . 0.0 110.462 -177.378 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.483 ' HG2' HD23 ' B' ' 33' ' ' LEU . 0.0 OUTLIER -59.99 -47.94 83.75 Favored 'General case' 0 C--N 1.294 -1.817 0 O-C-N 121.55 -0.719 . . . . 0.0 111.002 -178.11 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.1 tptp -67.83 -38.78 83.66 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.162 -0.961 . . . . 0.0 110.344 -178.34 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.53 -17.01 31.18 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 121.026 -1.046 . . . . 0.0 109.887 -179.243 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.509 ' N ' ' O ' ' B' ' 57' ' ' ILE . 66.2 tp -80.77 -14.37 58.14 Favored 'General case' 0 N--CA 1.501 2.095 0 N-CA-C 105.754 -1.943 . . . . 0.0 105.754 179.558 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.55 ' O ' ' N ' ' B' ' 64' ' ' ASN . 12.0 m-20 -94.88 37.25 1.15 Allowed 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 103.81 -2.663 . . . . 0.0 103.81 174.442 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.5 ' H ' ' C ' ' B' ' 61' ' ' LEU . 85.4 tt0 -35.67 -21.82 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.939 0 CA-C-N 112.007 -2.36 . . . . 0.0 111.337 -179.578 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 23.0 t-20 -85.76 -6.62 59.09 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.604 -1.31 . . . . 0.0 108.802 -179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.32 29.4 27.76 Favored Glycine 0 N--CA 1.485 1.926 0 N-CA-C 109.949 -1.261 . . . . 0.0 109.949 178.289 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.638 ' C ' ' H ' ' B' ' 68' ' ' GLU . 23.4 p-10 -109.87 114.45 28.02 Favored 'General case' 0 N--CA 1.484 1.272 0 N-CA-C 104.696 -2.335 . . . . 0.0 104.696 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -61.47 15.15 0.05 OUTLIER Glycine 0 C--N 1.285 -2.256 0 C-N-CA 118.153 -1.975 . . . . 0.0 110.718 -178.78 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.638 ' H ' ' C ' ' B' ' 66' ' ' ASP . 44.2 mt-10 -120.79 141.48 50.47 Favored 'General case' 0 N--CA 1.483 1.215 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 179.25 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.9 t -103.57 131.17 52.72 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.808 0 O-C-N 121.11 -0.993 . . . . 0.0 111.399 -177.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' B' ' 71' ' ' PHE . 9.4 t70 -79.75 156.85 27.3 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-N 115.846 -0.615 . . . . 0.0 109.77 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.511 ' N ' ' OD1' ' B' ' 70' ' ' ASP . 43.6 p90 -60.16 -39.01 84.92 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.326 -0.859 . . . . 0.0 110.23 179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.405 ' N ' ' CG ' ' B' ' 71' ' ' PHE . 54.6 tt0 -60.02 -40.64 90.0 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.064 -1.023 . . . . 0.0 110.846 -178.716 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.414 ' OE2' ' O ' ' B' ' 61' ' ' LEU . 37.8 mt-10 -69.23 -39.94 78.25 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.002 -1.061 . . . . 0.0 110.291 -179.403 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.536 ' CE2' HD21 ' B' ' 37' ' ' LEU . 21.0 t80 -62.57 -41.89 99.21 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.575 -0.703 . . . . 0.0 112.199 -178.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -69.93 -35.36 64.18 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 O-C-N 120.969 -1.082 . . . . 0.0 111.024 -177.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 55.8 t -70.12 -60.21 2.69 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 111.826 -178.254 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 4.6 tp -70.44 -40.22 73.89 Favored 'General case' 0 N--CA 1.497 1.912 0 O-C-N 120.857 -1.152 . . . . 0.0 112.564 -176.647 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 39.1 t -68.96 -40.15 80.66 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.861 0 O-C-N 120.527 -1.358 . . . . 0.0 110.135 -178.053 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.73 -26.43 61.57 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.173 -0.954 . . . . 0.0 108.981 179.538 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.94 -22.11 65.96 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.346 -0.846 . . . . 0.0 109.868 179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.406 ' HB2' HD11 ' B' ' 45' ' ' LEU . 17.8 mt -95.95 -26.41 15.59 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.245 -0.909 . . . . 0.0 108.903 179.312 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.466 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.5 OUTLIER -64.39 -55.01 23.91 Favored 'General case' 0 C--N 1.3 -1.586 0 C-N-CA 119.899 -0.72 . . . . 0.0 110.275 -179.177 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.466 ' N ' ' CG2' ' B' ' 82' ' ' THR . 5.4 m -80.08 -34.62 15.24 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.938 0 O-C-N 120.691 -1.255 . . . . 0.0 110.709 -179.809 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.42 -39.91 92.51 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.959 -1.088 . . . . 0.0 110.352 -179.54 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.8 t -66.55 -40.08 88.86 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.211 -0.931 . . . . 0.0 109.432 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 42.8 t30 -59.92 -39.66 86.22 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.514 -0.741 . . . . 0.0 110.173 -179.573 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -59.98 -40.01 87.69 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.184 -0.948 . . . . 0.0 110.033 -178.31 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.2 m-85 -67.64 -40.0 84.58 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.79 -1.194 . . . . 0.0 109.209 179.612 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.404 ' CZ ' ' OE1' ' B' ' 91' ' ' GLU . 1.9 t80 56.38 87.9 0.05 Allowed 'General case' 0 N--CA 1.49 1.547 0 O-C-N 121.191 -0.943 . . . . 0.0 109.242 179.138 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.492 ' C ' ' H ' ' B' ' 92' ' ' ASN . 83.2 m95 -61.66 -21.39 64.38 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.407 -0.808 . . . . 0.0 109.921 -179.718 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.404 ' OE1' ' CZ ' ' B' ' 89' ' ' PHE . 99.0 mt-10 -62.0 5.89 0.09 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.241 -0.912 . . . . 0.0 110.314 -179.264 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.492 ' H ' ' C ' ' B' ' 90' ' ' TRP . 91.7 m-20 -84.63 -4.36 58.96 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.867 -1.146 . . . . 0.0 108.34 179.735 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 95.7 p . . . . . 0 C--N 1.301 -1.514 0 CA-C-O 118.034 -0.984 . . . . 0.0 109.86 -179.835 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.409 ' H2 ' ' H ' ' C' ' 2' ' ' LYS . 4.4 mptp? . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.044 -0.724 . . . . 0.0 109.044 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.409 ' H ' ' H2 ' ' C' ' 1' ' ' LYS . 27.5 ttpp -60.02 -39.99 87.77 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.39 -0.819 . . . . 0.0 109.929 179.823 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.86 -37.04 85.92 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.282 -0.886 . . . . 0.0 110.226 -179.787 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 72.0 t -60.06 -40.67 83.91 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.612 0 O-C-N 120.974 -1.079 . . . . 0.0 109.503 -179.115 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.66 -40.72 95.92 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 120.996 -1.065 . . . . 0.0 109.104 179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 62.3 m80 -63.36 -40.09 96.3 Favored 'General case' 0 N--CA 1.489 1.483 0 O-C-N 120.81 -1.181 . . . . 0.0 110.166 -179.825 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 26.4 ttpp -60.29 -50.13 74.86 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.111 -0.993 . . . . 0.0 110.641 -178.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.53 ' O ' ' N ' ' C' ' 12' ' ' GLN . 58.7 tp -70.04 -39.98 75.4 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.881 -1.137 . . . . 0.0 110.238 -179.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 1.4 mm? -63.85 -40.02 95.6 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.286 -0.883 . . . . 0.0 108.879 -179.287 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 7.6 t -64.16 -48.84 74.45 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.151 -0.968 . . . . 0.0 109.632 179.808 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -84.42 -12.56 54.17 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.474 -0.766 . . . . 0.0 109.764 -179.052 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.53 ' N ' ' O ' ' C' ' 8' ' ' LEU . 27.5 mt-30 . . . . . 0 N--CA 1.491 1.62 0 CA-C-O 118.022 -0.99 . . . . 0.0 109.325 -179.613 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.44 ' HD2' ' H1 ' ' D' ' 1' ' ' LYS . 4.3 mptp? . . . . . 0 N--CA 1.49 1.558 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 27.2 ttpp -59.99 -40.02 87.72 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.36 -0.838 . . . . 0.0 109.855 179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -63.77 -37.16 86.34 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.197 -0.939 . . . . 0.0 110.273 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 65.9 t -60.06 -40.64 83.83 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.608 0 O-C-N 121.052 -1.03 . . . . 0.0 109.476 -179.057 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -64.68 -40.85 96.12 Favored 'General case' 0 N--CA 1.491 1.601 0 O-C-N 121.085 -1.009 . . . . 0.0 109.09 179.588 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 61.9 m80 -63.35 -40.06 96.24 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 120.871 -1.143 . . . . 0.0 110.168 -179.763 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 26.7 ttpp -60.25 -50.17 74.72 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.149 -0.97 . . . . 0.0 110.814 -179.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.532 ' O ' ' N ' ' D' ' 12' ' ' GLN . 58.7 tp -70.0 -40.04 75.5 Favored 'General case' 0 N--CA 1.494 1.725 0 O-C-N 120.91 -1.118 . . . . 0.0 110.138 -179.586 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -63.77 -40.02 95.68 Favored 'General case' 0 C--N 1.302 -1.491 0 O-C-N 121.306 -0.871 . . . . 0.0 108.905 -179.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 8.0 t -64.37 -48.54 75.09 Favored 'General case' 0 N--CA 1.491 1.579 0 O-C-N 121.237 -0.914 . . . . 0.0 109.662 179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 14.0 tptp -84.59 -12.42 54.1 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.463 -0.773 . . . . 0.0 109.768 -179.081 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.532 ' N ' ' O ' ' D' ' 8' ' ' LEU . 28.3 mt-30 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.011 -0.995 . . . . 0.0 109.327 -179.615 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.862 0 N-CA-C 119.391 2.516 . . . . 0.0 119.391 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.8 m -107.12 -0.12 23.04 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.51 -0.994 . . . . 0.0 108.836 178.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.457 ' O ' ' OG1' ' A' ' 6' ' ' THR . 96.2 mt-10 -60.41 -55.16 36.96 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.315 -0.866 . . . . 0.0 110.02 -179.466 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.639 ' CG ' HG21 ' B' ' 14' ' ' VAL . 82.5 mt -59.7 -35.79 75.2 Favored 'General case' 0 N--CA 1.5 2.062 0 O-C-N 120.849 -1.157 . . . . 0.0 110.003 -178.858 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -55.32 -43.86 75.29 Favored 'General case' 0 C--N 1.292 -1.905 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 179.785 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.7 p -71.32 -32.01 68.08 Favored 'General case' 0 C--O 1.2 -1.517 0 O-C-N 121.466 -0.771 . . . . 0.0 110.128 178.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.427 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -57.9 -51.09 71.05 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.396 -0.815 . . . . 0.0 110.285 -177.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 14.4 tpt -60.76 -40.25 91.77 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.014 -1.054 . . . . 0.0 110.285 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.35 -40.07 95.14 Favored 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.337 -0.852 . . . . 0.0 110.642 -179.109 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.556 ' O ' HG22 ' A' ' 14' ' ' VAL . 15.7 p -64.06 -43.56 95.12 Favored 'General case' 0 C--N 1.294 -1.837 0 O-C-N 121.776 -0.578 . . . . 0.0 109.755 -178.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' B' ' 4' ' ' LEU . 95.0 mt -60.06 -40.04 88.08 Favored 'General case' 0 N--CA 1.499 2.01 0 O-C-N 121.549 -0.719 . . . . 0.0 112.667 -178.473 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.512 HD13 ' N ' ' A' ' 12' ' ' ILE . 0.1 OUTLIER -81.57 -25.9 9.98 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.602 0 O-C-N 120.067 -1.646 . . . . 0.0 111.185 -178.509 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -63.99 -40.03 95.46 Favored 'General case' 0 C--N 1.295 -1.768 0 O-C-N 120.298 -1.501 . . . . 0.0 109.84 -179.076 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.658 HG21 ' CG ' ' B' ' 4' ' ' LEU . 0.7 OUTLIER -85.13 -36.08 10.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.987 0 O-C-N 121.638 -0.664 . . . . 0.0 110.706 179.775 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -59.65 -49.95 75.76 Favored 'General case' 0 C--N 1.3 -1.553 0 O-C-N 121.205 -0.934 . . . . 0.0 110.315 -177.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -76.19 -23.16 54.67 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.567 -0.708 . . . . 0.0 111.226 -179.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.85 -62.72 1.5 Allowed 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.571 -1.331 . . . . 0.0 111.564 -178.063 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -64.12 -39.98 95.21 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.67 -1.269 . . . . 0.0 110.959 -177.621 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 29.7 t -66.47 -14.63 62.5 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 121.299 -0.876 . . . . 0.0 111.343 -178.769 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.23 13.42 55.27 Favored Glycine 0 N--CA 1.497 2.745 0 O-C-N 121.28 -0.888 . . . . 0.0 111.308 -177.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -81.82 -61.22 1.98 Allowed 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.369 -1.665 . . . . 0.0 108.086 178.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.516 ' OE2' ' NZ ' ' A' ' 31' ' ' LYS . 13.5 pt-20 -126.86 4.17 6.62 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.435 -0.95 . . . . 0.0 108.435 179.092 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.01 -172.64 44.52 Favored Glycine 0 N--CA 1.486 2.012 0 N-CA-C 109.304 -1.519 . . . . 0.0 109.304 179.668 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -98.5 177.3 5.38 Favored 'General case' 0 N--CA 1.489 1.475 0 N-CA-C 107.978 -1.119 . . . . 0.0 107.978 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -58.83 99.89 0.06 Allowed 'General case' 0 C--N 1.295 -1.796 0 O-C-N 121.143 -0.973 . . . . 0.0 110.55 -178.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 37.5 m-85 64.48 40.1 6.45 Favored 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 114.651 1.352 . . . . 0.0 114.651 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.511 ' NZ ' ' OD1' ' A' ' 70' ' ' ASP . 1.9 tpmt? -140.58 141.85 35.17 Favored 'General case' 0 N--CA 1.502 2.131 0 N-CA-C 107.057 -1.461 . . . . 0.0 107.057 175.004 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.506 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.05 154.89 17.05 Favored 'General case' 0 N--CA 1.495 1.783 0 CA-C-O 122.325 1.06 . . . . 0.0 110.662 -179.098 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.431 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 73.4 m -126.11 160.01 31.3 Favored 'General case' 0 C--N 1.296 -1.729 0 N-CA-C 106.699 -1.593 . . . . 0.0 106.699 178.196 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 58.4 tttt -45.06 -42.84 8.97 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 120.896 -1.128 . . . . 0.0 110.758 -179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.516 ' NZ ' ' OE2' ' A' ' 22' ' ' GLU . 64.9 tttm -69.98 -28.76 65.79 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 120.993 -1.067 . . . . 0.0 111.921 -178.792 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.431 ' HB2' ' H ' ' A' ' 29' ' ' SER . 25.3 mt-10 -76.0 -39.97 54.64 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.607 -1.308 . . . . 0.0 108.606 179.442 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.9 tt -60.05 -49.98 75.53 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-N 115.963 -0.562 . . . . 0.0 112.362 -178.688 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.495 ' O ' ' NE2' ' A' ' 38' ' ' GLN . 17.0 ptmt -69.98 -32.67 71.0 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 120.773 -1.204 . . . . 0.0 112.928 -176.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.81 -35.51 62.45 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 120.44 -1.412 . . . . 0.0 109.142 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.757 HD23 ' O ' ' A' ' 36' ' ' LEU . 5.6 tt -67.51 -37.97 83.58 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.635 -0.666 . . . . 0.0 111.41 -178.826 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 89.7 mt -82.09 -39.86 22.76 Favored 'General case' 0 N--CA 1.506 2.325 0 O-C-N 120.678 -1.264 . . . . 0.0 112.726 -178.327 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.495 ' NE2' ' O ' ' A' ' 34' ' ' LYS . 4.4 pt20 -69.44 -39.98 77.48 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 120.759 -1.213 . . . . 0.0 110.282 -178.248 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.466 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.4 m -76.03 -45.68 33.21 Favored 'General case' 0 C--N 1.301 -1.509 0 CA-C-O 121.356 0.598 . . . . 0.0 110.941 -177.697 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.612 ' HB3' HD12 ' B' ' 4' ' ' LEU . 57.9 mm-40 -89.04 -50.02 6.41 Favored 'General case' 0 N--CA 1.488 1.445 0 O-C-N 121.36 -0.838 . . . . 0.0 111.28 -177.521 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 8.7 mp -100.41 71.55 1.55 Allowed 'General case' 0 N--CA 1.508 2.433 0 O-C-N 120.862 -1.149 . . . . 0.0 109.547 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' A' ' 43' ' ' SER . 32.0 m -81.61 139.32 35.09 Favored 'General case' 0 C--N 1.301 -1.524 0 N-CA-C 109.225 -0.657 . . . . 0.0 109.225 178.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 83.6 -7.39 1.11 Allowed 'General case' 0 C--N 1.299 -1.62 0 O-C-N 121.753 -0.592 . . . . 0.0 111.313 178.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 90.0 m-85 -105.42 -77.9 0.58 Allowed 'General case' 0 N--CA 1.5 2.072 0 N-CA-C 107.26 -1.385 . . . . 0.0 107.26 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.5 ' N ' ' CD2' ' A' ' 45' ' ' LEU . 3.3 mm? -96.04 120.52 36.46 Favored 'General case' 0 N--CA 1.489 1.498 0 N-CA-C 106.397 -1.705 . . . . 0.0 106.397 177.299 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.67 91.36 3.56 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-O 122.37 1.081 . . . . 0.0 110.507 -178.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.531 ' HB ' HG22 ' A' ' 54' ' ' VAL . 3.5 m -81.7 -22.46 10.12 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.003 0 CA-C-N 115.259 -0.882 . . . . 0.0 110.988 -178.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.432 ' OE1' ' OE1' ' A' ' 38' ' ' GLN . 26.9 mt-30 -69.36 -60.1 2.56 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 120.993 -1.067 . . . . 0.0 113.026 -176.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.22 -30.01 64.5 Favored 'General case' 0 N--CA 1.495 1.789 0 O-C-N 120.937 -1.102 . . . . 0.0 111.814 -177.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -94.91 94.19 7.88 Favored 'General case' 0 N--CA 1.499 1.977 0 O-C-N 120.71 -1.244 . . . . 0.0 109.728 -179.558 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.93 -40.06 75.74 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.425 -0.797 . . . . 0.0 110.146 179.814 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' A' ' 53' ' ' ALA . 32.6 p-10 -59.96 -37.44 79.59 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.109 -0.994 . . . . 0.0 109.017 -179.742 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.526 ' N ' ' OD1' ' A' ' 52' ' ' ASP . . . -65.85 -37.74 87.0 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.777 -0.577 . . . . 0.0 111.363 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.531 HG22 ' HB ' ' A' ' 47' ' ' VAL . 61.8 t -70.04 -56.49 11.08 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.565 0 O-C-N 120.957 -1.089 . . . . 0.0 111.829 -177.694 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 58.7 t0 -64.29 -39.96 94.99 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 120.591 -1.318 . . . . 0.0 110.876 -177.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 69.0 mmtt -69.91 -40.03 75.83 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.313 -0.867 . . . . 0.0 111.516 -177.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.544 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -80.11 -52.48 14.54 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 121.141 -0.974 . . . . 0.0 110.889 -177.314 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 5.1 tpt -60.02 -44.87 94.31 Favored 'General case' 0 C--N 1.295 -1.779 0 O-C-N 121.492 -0.755 . . . . 0.0 110.825 -178.786 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -69.95 -37.11 75.74 Favored 'General case' 0 C--N 1.303 -1.438 0 O-C-N 120.973 -1.079 . . . . 0.0 110.097 -179.473 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.1 mm-40 -88.59 -17.52 29.98 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.026 -1.046 . . . . 0.0 109.823 -179.367 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.544 ' N ' ' O ' ' A' ' 57' ' ' ILE . 60.6 tp -83.2 -17.73 41.79 Favored 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 106.263 -1.754 . . . . 0.0 106.263 179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.581 ' OD2' ' N ' ' A' ' 68' ' ' GLU . 10.5 t0 -92.43 45.55 1.21 Allowed 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 103.123 -2.917 . . . . 0.0 103.123 173.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.519 ' H ' ' C ' ' A' ' 61' ' ' LEU . 86.0 tt0 -39.56 -19.48 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.168 0 CA-C-N 111.455 -2.611 . . . . 0.0 110.649 -178.003 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.522 ' N ' ' O ' ' A' ' 62' ' ' ASP . 81.8 m-20 -87.72 -0.06 56.39 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.627 -1.296 . . . . 0.0 108.323 179.399 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.554 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 64.07 34.9 91.15 Favored Glycine 0 N--CA 1.494 2.505 0 C-N-CA 121.089 -0.577 . . . . 0.0 111.838 178.137 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.477 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 4.3 p-10 -102.22 -14.02 17.17 Favored 'General case' 0 N--CA 1.504 2.233 0 O-C-N 120.9 -1.353 . . . . 0.0 110.54 179.546 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.524 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -7.45 69.26 Favored Glycine 0 N--CA 1.501 3.01 0 O-C-N 120.665 -1.272 . . . . 0.0 110.874 178.532 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 99.6 mt-10 -118.43 142.19 47.8 Favored 'General case' 0 C--N 1.31 -1.134 0 N-CA-C 107.299 -1.371 . . . . 0.0 107.299 179.524 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 73.8 t -102.64 134.0 44.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.01 -1.056 . . . . 0.0 110.711 -177.457 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.511 ' OD1' ' NZ ' ' A' ' 27' ' ' LYS . 92.0 m-20 -82.49 159.83 22.79 Favored 'General case' 0 C--N 1.303 -1.42 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 179.147 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.528 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 54.1 p90 -59.23 -39.57 83.16 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.221 -0.924 . . . . 0.0 109.682 -179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.528 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -63.17 -39.94 96.1 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.002 -1.061 . . . . 0.0 110.295 -179.459 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 38.7 mt-10 -69.94 -40.1 75.68 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.622 -179.152 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.657 ' O ' HG22 ' A' ' 78' ' ' VAL . 41.5 t80 -69.24 -40.06 78.12 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.368 -0.832 . . . . 0.0 112.303 -178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 10.7 p -71.95 -30.15 35.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.543 -0.723 . . . . 0.0 111.447 -178.443 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 53.4 t -73.3 -58.09 5.59 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.743 0 O-C-N 121.015 -1.053 . . . . 0.0 111.768 -178.409 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -66.66 -40.03 88.45 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 120.803 -1.185 . . . . 0.0 112.497 -176.516 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.657 HG22 ' O ' ' A' ' 74' ' ' PHE . 19.0 m -68.09 -37.96 79.02 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.514 -1.367 . . . . 0.0 111.317 -178.225 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.532 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -73.22 -23.94 60.44 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 121.136 -0.978 . . . . 0.0 110.618 -178.088 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -71.25 -51.17 26.04 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.348 -1.47 . . . . 0.0 109.732 179.292 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.544 ' CD2' ' N ' ' A' ' 81' ' ' LEU . 0.6 OUTLIER -64.19 -41.29 97.15 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.322 -0.862 . . . . 0.0 111.368 -178.627 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.475 HG23 ' N ' ' A' ' 83' ' ' VAL . 4.0 t -61.14 -49.36 77.58 Favored 'General case' 0 N--CA 1.501 2.105 0 O-C-N 120.991 -1.068 . . . . 0.0 110.373 -178.404 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.526 HG11 ' CD1' ' B' ' 71' ' ' PHE . 96.0 t -64.29 -37.9 81.12 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.715 0 O-C-N 121.018 -1.051 . . . . 0.0 109.907 179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -68.78 -28.14 66.51 Favored 'General case' 0 C--N 1.291 -1.96 0 CA-C-N 115.689 -0.687 . . . . 0.0 111.716 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.7 m -69.97 -40.07 75.61 Favored 'General case' 0 N--CA 1.49 1.539 0 O-C-N 120.785 -1.197 . . . . 0.0 110.087 -179.235 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.591 ' ND2' ' N ' ' A' ' 87' ' ' ASN . 0.6 OUTLIER -68.96 -36.45 77.91 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.083 -1.011 . . . . 0.0 110.078 -179.539 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.591 ' N ' ' ND2' ' A' ' 86' ' ' ASN . 27.5 t-20 -60.04 -49.64 76.87 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.018 -1.051 . . . . 0.0 110.472 -178.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.495 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 55.0 m-85 -62.73 -50.77 69.78 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.861 -1.15 . . . . 0.0 110.323 -179.51 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.495 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 96.6 m-85 -158.16 129.98 6.82 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.336 -0.853 . . . . 0.0 109.319 -179.708 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 89.9 m95 -67.63 -156.6 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 108.365 -0.976 . . . . 0.0 108.365 179.413 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.94 -33.23 71.63 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.094 -1.003 . . . . 0.0 108.619 179.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 21.2 t-20 -158.51 -20.03 0.08 Allowed 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.602 -0.686 . . . . 0.0 110.218 -179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 46.9 t . . . . . 0 N--CA 1.491 1.599 0 O-C-N 121.039 -1.038 . . . . 0.0 109.124 -179.094 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.915 0 N-CA-C 119.422 2.529 . . . . 0.0 119.422 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -107.03 -0.23 23.13 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.549 -0.971 . . . . 0.0 108.792 178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.442 ' O ' ' OG1' ' B' ' 6' ' ' THR . 95.8 mt-10 -60.49 -54.96 39.22 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.341 -0.85 . . . . 0.0 110.052 -179.494 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.658 ' CG ' HG21 ' A' ' 14' ' ' VAL . 82.4 mt -59.96 -36.11 76.41 Favored 'General case' 0 N--CA 1.502 2.142 0 O-C-N 120.869 -1.144 . . . . 0.0 109.925 -178.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 87.6 tt0 -54.76 -44.22 73.43 Favored 'General case' 0 C--N 1.29 -1.986 0 N-CA-C 108.06 -1.089 . . . . 0.0 108.06 179.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.2 p -71.22 -30.59 66.54 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.427 -0.796 . . . . 0.0 110.053 178.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.77 -50.07 75.24 Favored 'General case' 0 C--N 1.302 -1.483 0 O-C-N 121.352 -0.843 . . . . 0.0 110.068 -175.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 14.3 tpt -60.68 -40.45 92.19 Favored 'General case' 0 N--CA 1.486 1.342 0 O-C-N 121.299 -0.875 . . . . 0.0 110.208 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -64.3 -39.98 95.0 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.456 -0.777 . . . . 0.0 110.622 -179.358 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.553 ' O ' HG22 ' B' ' 14' ' ' VAL . 16.2 p -64.13 -43.53 94.97 Favored 'General case' 0 C--N 1.294 -1.842 0 CA-C-O 121.346 0.593 . . . . 0.0 109.791 -179.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.405 HD23 ' CD2' ' A' ' 4' ' ' LEU . 95.4 mt -60.03 -40.03 87.93 Favored 'General case' 0 N--CA 1.499 2.014 0 O-C-N 121.563 -0.711 . . . . 0.0 112.709 -178.535 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.466 ' N ' HD13 ' B' ' 12' ' ' ILE . 0.1 OUTLIER -81.04 -28.07 10.98 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.665 0 O-C-N 120.104 -1.623 . . . . 0.0 110.988 -178.432 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 97.0 m-20 -62.17 -40.0 94.55 Favored 'General case' 0 C--N 1.293 -1.866 0 O-C-N 120.527 -1.358 . . . . 0.0 109.819 -178.616 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.639 HG21 ' CG ' ' A' ' 4' ' ' LEU . 0.6 OUTLIER -85.3 -36.29 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 O-C-N 121.583 -0.698 . . . . 0.0 110.689 -179.889 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 53.8 t80 -59.51 -49.99 75.66 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.32 -0.862 . . . . 0.0 110.308 -177.648 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 67.3 t60 -76.19 -23.41 54.66 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.61 -0.681 . . . . 0.0 111.108 -179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.59 -62.7 1.49 Allowed 'General case' 0 N--CA 1.493 1.685 0 O-C-N 120.635 -1.291 . . . . 0.0 111.627 -178.077 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.5 m80 -64.14 -40.0 95.23 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 120.642 -1.286 . . . . 0.0 111.039 -177.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.2 t -66.41 -14.74 62.59 Favored 'General case' 0 N--CA 1.496 1.83 0 O-C-N 121.328 -0.858 . . . . 0.0 111.446 -178.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -103.16 13.53 55.48 Favored Glycine 0 N--CA 1.498 2.799 0 C-N-CA 120.558 -0.829 . . . . 0.0 111.273 -177.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 mmtp -81.92 -61.41 1.92 Allowed 'General case' 0 N--CA 1.493 1.696 0 O-C-N 120.441 -1.623 . . . . 0.0 108.04 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.476 ' OE2' ' NZ ' ' B' ' 31' ' ' LYS . 13.2 pt-20 -126.58 4.07 6.82 Favored 'General case' 0 N--CA 1.498 1.925 0 N-CA-C 108.539 -0.912 . . . . 0.0 108.539 178.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -80.0 -172.84 44.82 Favored Glycine 0 N--CA 1.488 2.155 0 N-CA-C 109.213 -1.555 . . . . 0.0 109.213 179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -98.42 176.87 5.53 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.464 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 13.7 mptt -58.49 100.02 0.06 Allowed 'General case' 0 C--N 1.294 -1.813 0 O-C-N 121.134 -0.979 . . . . 0.0 110.6 -178.757 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 37.0 m-85 64.49 40.0 6.48 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 114.659 1.355 . . . . 0.0 114.659 177.361 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.475 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 1.9 tpmt? -140.5 142.07 35.29 Favored 'General case' 0 N--CA 1.501 2.103 0 N-CA-C 107.051 -1.463 . . . . 0.0 107.051 174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.502 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.27 154.65 17.28 Favored 'General case' 0 N--CA 1.493 1.721 0 CA-C-O 122.305 1.05 . . . . 0.0 110.589 -179.053 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.431 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 74.6 m -125.51 160.67 28.94 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 106.678 -1.601 . . . . 0.0 106.678 178.237 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 57.7 tttt -45.74 -43.01 12.58 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.943 -1.098 . . . . 0.0 110.67 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.476 ' NZ ' ' OE2' ' B' ' 22' ' ' GLU . 65.0 tttm -69.99 -28.41 65.5 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 111.905 -178.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.431 ' HB2' ' H ' ' B' ' 29' ' ' SER . 25.3 mt-10 -76.09 -39.78 54.54 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 120.524 -1.36 . . . . 0.0 108.554 179.409 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 4.8 tt -59.94 -50.04 75.3 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 115.902 -0.59 . . . . 0.0 112.403 -178.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.482 ' O ' ' NE2' ' B' ' 38' ' ' GLN . 17.0 ptmt -70.03 -32.74 71.03 Favored 'General case' 0 N--CA 1.499 2.009 0 O-C-N 120.865 -1.147 . . . . 0.0 112.901 -176.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 60.4 t0 -74.55 -35.77 63.1 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 120.515 -1.366 . . . . 0.0 109.161 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.754 HD23 ' O ' ' B' ' 36' ' ' LEU . 5.5 tt -67.44 -37.8 83.56 Favored 'General case' 0 C--N 1.29 -2.022 0 O-C-N 121.685 -0.635 . . . . 0.0 111.493 -178.741 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 86.6 mt -82.33 -39.99 22.05 Favored 'General case' 0 N--CA 1.505 2.293 0 O-C-N 120.61 -1.306 . . . . 0.0 112.623 -178.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.482 ' NE2' ' O ' ' B' ' 34' ' ' LYS . 4.5 pt20 -69.2 -39.95 78.32 Favored 'General case' 0 C--N 1.297 -1.717 0 O-C-N 120.686 -1.259 . . . . 0.0 110.306 -178.288 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 94.1 m -76.12 -45.65 32.7 Favored 'General case' 0 C--N 1.301 -1.512 0 CA-C-O 121.434 0.635 . . . . 0.0 110.889 -177.604 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.619 ' HB3' HD12 ' A' ' 4' ' ' LEU . 58.6 mm-40 -88.98 -50.05 6.41 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 121.398 -0.814 . . . . 0.0 111.304 -177.576 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 9.2 mp -100.34 71.59 1.57 Allowed 'General case' 0 N--CA 1.509 2.494 0 O-C-N 120.882 -1.136 . . . . 0.0 109.501 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.504 ' O ' ' CB ' ' B' ' 43' ' ' SER . 32.5 m -81.55 139.34 35.15 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 109.175 -0.676 . . . . 0.0 109.175 178.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.504 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 83.51 -7.45 1.13 Allowed 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.741 -0.599 . . . . 0.0 111.35 178.945 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 90.2 m-85 -105.3 -77.85 0.58 Allowed 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 177.647 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.501 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -96.25 120.78 37.15 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 106.284 -1.747 . . . . 0.0 106.284 177.359 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -116.8 91.22 3.52 Favored 'General case' 0 N--CA 1.504 2.231 0 CA-C-O 122.408 1.099 . . . . 0.0 110.467 -178.843 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.515 ' HB ' HG22 ' B' ' 54' ' ' VAL . 3.4 m -81.49 -22.65 10.31 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.976 0 CA-C-N 115.234 -0.894 . . . . 0.0 111.071 -178.593 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.427 ' OE1' ' OE1' ' B' ' 38' ' ' GLN . 27.0 mt-30 -69.26 -60.09 2.57 Favored 'General case' 0 C--N 1.297 -1.704 0 O-C-N 121.011 -1.056 . . . . 0.0 113.041 -176.636 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 39.0 pttt -72.16 -29.95 64.53 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 120.97 -1.081 . . . . 0.0 111.886 -178.075 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.4 ' O ' HG23 ' B' ' 54' ' ' VAL . 96.0 m-20 -94.94 94.18 7.86 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.647 -1.283 . . . . 0.0 109.641 -179.401 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -40.0 75.65 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.473 -0.767 . . . . 0.0 110.157 179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.527 ' OD1' ' N ' ' B' ' 53' ' ' ALA . 32.5 p-10 -60.03 -37.36 79.56 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.097 -1.002 . . . . 0.0 108.983 -179.514 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.527 ' N ' ' OD1' ' B' ' 52' ' ' ASP . . . -66.86 -34.82 78.64 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.734 -0.603 . . . . 0.0 111.818 -179.819 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.515 HG22 ' HB ' ' B' ' 47' ' ' VAL . 58.7 t -72.34 -56.41 10.06 Favored 'Isoleucine or valine' 0 C--N 1.301 -1.519 0 O-C-N 120.907 -1.121 . . . . 0.0 111.7 -178.42 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.403 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 59.2 t0 -64.1 -40.03 95.33 Favored 'General case' 0 C--N 1.292 -1.909 0 O-C-N 120.564 -1.335 . . . . 0.0 110.777 -177.637 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -70.08 -39.9 75.33 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.46 -0.775 . . . . 0.0 111.616 -177.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.547 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.8 mt -80.02 -52.56 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.44 0 O-C-N 121.072 -1.018 . . . . 0.0 110.708 -177.346 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.3 tpt -60.04 -44.64 94.52 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.539 -0.726 . . . . 0.0 110.855 -178.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 64.7 tttm -70.11 -36.93 75.19 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.944 -1.098 . . . . 0.0 110.037 -179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.6 mm-40 -88.69 -17.64 29.55 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.976 -1.078 . . . . 0.0 109.801 -179.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.547 ' N ' ' O ' ' B' ' 57' ' ' ILE . 61.0 tp -83.16 -17.69 42.02 Favored 'General case' 0 N--CA 1.5 2.057 0 N-CA-C 106.192 -1.781 . . . . 0.0 106.192 179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.586 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 10.3 t0 -92.49 45.37 1.19 Allowed 'General case' 0 N--CA 1.489 1.49 0 N-CA-C 103.098 -2.927 . . . . 0.0 103.098 173.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.518 ' H ' ' C ' ' B' ' 61' ' ' LEU . 86.1 tt0 -39.43 -19.44 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.147 0 CA-C-N 111.495 -2.593 . . . . 0.0 110.665 -178.056 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.523 ' N ' ' O ' ' B' ' 62' ' ' ASP . 81.7 m-20 -87.69 -0.02 56.32 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.598 -1.314 . . . . 0.0 108.347 179.389 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.573 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 64.66 33.35 87.0 Favored Glycine 0 N--CA 1.494 2.535 0 C-N-CA 121.013 -0.613 . . . . 0.0 112.014 178.063 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.471 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 4.4 p-10 -101.26 -13.79 17.93 Favored 'General case' 0 N--CA 1.505 2.311 0 O-C-N 120.828 -1.395 . . . . 0.0 110.542 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.519 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.17 -7.2 68.16 Favored Glycine 0 N--CA 1.498 2.767 0 O-C-N 120.676 -1.265 . . . . 0.0 110.835 178.489 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.586 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 99.9 mt-10 -118.5 142.15 47.87 Favored 'General case' 0 N--CA 1.483 1.223 0 N-CA-C 107.261 -1.385 . . . . 0.0 107.261 179.434 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 79.4 t -101.84 134.32 42.7 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.149 0 O-C-N 120.916 -1.115 . . . . 0.0 110.833 -177.463 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.475 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 92.3 m-20 -82.73 159.78 22.48 Favored 'General case' 0 C--N 1.305 -1.329 0 N-CA-C 108.635 -0.876 . . . . 0.0 108.635 179.214 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.0 p90 -59.23 -39.85 84.05 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.214 -0.929 . . . . 0.0 109.646 -179.502 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.543 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -62.84 -39.94 95.89 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.04 -1.037 . . . . 0.0 110.303 -179.487 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -70.07 -39.97 75.32 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.761 -1.212 . . . . 0.0 110.658 -179.123 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.658 ' O ' HG22 ' B' ' 78' ' ' VAL . 41.0 t80 -69.36 -39.97 77.76 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.297 -0.877 . . . . 0.0 112.364 -178.269 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 11.3 p -72.0 -30.05 35.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.853 0 O-C-N 121.604 -0.685 . . . . 0.0 111.515 -178.542 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 53.8 t -73.38 -57.96 5.84 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.731 0 O-C-N 121.067 -1.021 . . . . 0.0 111.826 -178.543 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -66.71 -40.02 88.27 Favored 'General case' 0 N--CA 1.498 1.961 0 O-C-N 120.834 -1.166 . . . . 0.0 112.435 -176.524 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.658 HG22 ' O ' ' B' ' 74' ' ' PHE . 18.4 m -68.33 -37.76 78.42 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.82 0 O-C-N 120.491 -1.381 . . . . 0.0 111.269 -178.149 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.529 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -73.36 -23.68 60.24 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.185 -0.947 . . . . 0.0 110.696 -178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.24 -55.66 8.71 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 120.215 -1.553 . . . . 0.0 108.761 178.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.543 ' CD2' ' N ' ' B' ' 81' ' ' LEU . 0.7 OUTLIER -59.96 -42.45 94.12 Favored 'General case' 0 N--CA 1.503 2.185 0 O-C-N 121.67 -0.644 . . . . 0.0 111.562 -177.682 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.491 HG23 ' N ' ' B' ' 83' ' ' VAL . 4.0 t -60.76 -49.63 76.73 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.845 -1.159 . . . . 0.0 110.516 -178.376 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.491 ' N ' HG23 ' B' ' 82' ' ' THR . 93.9 t -64.06 -37.62 80.31 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.817 0 O-C-N 121.012 -1.055 . . . . 0.0 109.854 179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -69.14 -28.1 66.15 Favored 'General case' 0 C--N 1.291 -1.95 0 CA-C-N 115.698 -0.683 . . . . 0.0 111.755 -177.035 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 92.2 m -70.04 -39.97 75.41 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.771 -1.206 . . . . 0.0 110.078 -179.234 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.586 ' ND2' ' N ' ' B' ' 87' ' ' ASN . 0.6 OUTLIER -68.9 -36.45 78.05 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.04 -1.038 . . . . 0.0 110.107 -179.603 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.586 ' N ' ' ND2' ' B' ' 86' ' ' ASN . 27.2 t-20 -59.99 -49.63 76.93 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.053 -1.029 . . . . 0.0 110.53 -179.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.498 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 54.7 m-85 -62.8 -50.7 69.95 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.905 -1.122 . . . . 0.0 110.263 -179.477 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.498 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 96.4 m-85 -158.26 130.02 6.76 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.385 -0.822 . . . . 0.0 109.312 -179.724 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 89.8 m95 -67.73 -156.53 0.02 OUTLIER 'General case' 0 C--N 1.302 -1.487 0 N-CA-C 108.404 -0.961 . . . . 0.0 108.404 179.378 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.6 tt0 -59.99 -33.17 71.6 Favored 'General case' 0 C--N 1.302 -1.499 0 O-C-N 121.057 -1.027 . . . . 0.0 108.635 179.578 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 21.8 t-20 -158.6 -20.15 0.07 Allowed 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.479 -0.763 . . . . 0.0 110.133 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 47.1 t . . . . . 0 N--CA 1.492 1.633 0 CA-C-O 117.946 -1.025 . . . . 0.0 109.087 -179.115 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 30.5 ttmt . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.56 0.695 . . . . 0.0 109.16 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 82.2 tttt -60.19 -41.49 93.04 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 121.407 -0.808 . . . . 0.0 110.162 -179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.53 -45.34 94.2 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.104 -0.998 . . . . 0.0 109.451 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.8 t -65.13 -40.03 87.51 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.469 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 179.494 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.906 ' HE1' HD21 ' A' ' 77' ' ' LEU . 0.0 OUTLIER -59.54 -31.43 69.4 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.686 -0.634 . . . . 0.0 110.062 -179.092 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 58.6 t60 -59.1 -37.53 77.37 Favored 'General case' 0 C--N 1.3 -1.562 0 O-C-N 121.039 -1.038 . . . . 0.0 108.305 179.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 4.7 ttmt -59.93 -48.83 80.1 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.494 -0.754 . . . . 0.0 109.173 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.426 ' O ' ' N ' ' C' ' 12' ' ' GLN . 26.7 tp -60.43 -49.87 75.86 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.121 -0.987 . . . . 0.0 110.832 -179.182 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 27.8 mt -66.76 -40.22 88.15 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 120.819 -1.176 . . . . 0.0 109.091 -178.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 91.4 p -72.77 -50.42 24.54 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 121.151 -0.968 . . . . 0.0 108.831 179.508 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.4 ' O ' ' C ' ' C' ' 12' ' ' GLN . 0.1 OUTLIER -66.34 -44.41 83.39 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 121.375 -0.828 . . . . 0.0 108.976 179.45 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.426 ' N ' ' O ' ' C' ' 8' ' ' LEU . 57.0 tt0 . . . . . 0 N--CA 1.495 1.784 0 CA-C-O 117.9 -1.048 . . . . 0.0 110.337 179.476 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 31.1 ttmt . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 82.1 tttt -60.03 -41.46 92.26 Favored 'General case' 0 N--CA 1.488 1.464 0 O-C-N 121.378 -0.826 . . . . 0.0 110.131 -179.576 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -60.63 -45.42 94.11 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 120.974 -1.078 . . . . 0.0 109.384 179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.9 t -65.15 -39.81 86.75 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.42 0 N-CA-C 108.69 -0.855 . . . . 0.0 108.69 179.526 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . 0.903 ' HE1' HD21 ' B' ' 77' ' ' LEU . 0.0 OUTLIER -59.63 -31.44 69.51 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.601 -0.687 . . . . 0.0 110.042 -179.169 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 58.7 t60 -59.06 -37.39 76.94 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 120.957 -1.089 . . . . 0.0 108.375 179.79 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 5.3 ttmt -59.94 -48.93 79.69 Favored 'General case' 0 C--N 1.302 -1.484 0 O-C-N 121.575 -0.703 . . . . 0.0 109.276 179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.454 ' O ' ' N ' ' D' ' 12' ' ' GLN . 25.8 tp -60.19 -49.99 75.44 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.115 -0.991 . . . . 0.0 110.767 -179.258 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 25.0 mt -66.9 -40.06 87.61 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.867 -1.146 . . . . 0.0 109.075 -178.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 89.2 p -73.02 -50.29 23.91 Favored 'General case' 0 C--N 1.303 -1.414 0 O-C-N 121.17 -0.956 . . . . 0.0 108.725 179.541 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.408 ' O ' ' C ' ' D' ' 12' ' ' GLN . 0.1 OUTLIER -66.18 -44.66 83.37 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.41 -0.806 . . . . 0.0 108.922 179.406 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' D' ' 8' ' ' LEU . 57.1 tt0 . . . . . 0 N--CA 1.495 1.806 0 CA-C-O 118.003 -0.999 . . . . 0.0 110.279 179.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.452 ' O ' ' OE2' ' B' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.529 4.865 0 N-CA-C 119.6 2.6 . . . . 0.0 119.6 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.4 p -108.0 1.0 22.18 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 121.403 -1.057 . . . . 0.0 109.252 179.041 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.485 ' O ' ' OG1' ' A' ' 6' ' ' THR . 43.9 mt-10 -66.72 -53.52 32.54 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.182 -0.949 . . . . 0.0 110.702 -178.814 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.503 HD13 HD23 ' B' ' 11' ' ' LEU . 15.2 tp -60.13 -39.9 87.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.342 -0.849 . . . . 0.0 110.341 -178.152 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 84.1 tt0 -54.24 -48.63 70.89 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.046 -1.034 . . . . 0.0 109.18 178.836 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.485 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 21.7 p -64.6 -30.62 71.65 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.765 -0.585 . . . . 0.0 110.684 -179.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.467 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -59.09 -49.9 76.11 Favored 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.355 -0.84 . . . . 0.0 110.87 -177.409 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.707 ' SD ' HD11 ' A' ' 12' ' ' ILE . 0.0 OUTLIER -59.99 -40.08 87.93 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.34 -1.475 . . . . 0.0 109.085 -179.839 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.43 -39.93 92.61 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-O 121.667 0.746 . . . . 0.0 110.294 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.454 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 7.8 p -67.76 -45.52 74.68 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.672 -0.643 . . . . 0.0 111.248 -177.868 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.482 HD23 HD13 ' B' ' 4' ' ' LEU . 65.7 mt -59.99 -44.11 94.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 121.374 -0.829 . . . . 0.0 110.754 -178.865 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.707 HD11 ' SD ' ' A' ' 8' ' ' MET . 51.2 mt -72.9 -30.95 34.09 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.78 0 O-C-N 121.209 -0.932 . . . . 0.0 111.64 -177.818 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.439 ' ND2' ' OE1' ' B' ' 3' ' ' GLU . 0.4 OUTLIER -60.99 -39.82 91.12 Favored 'General case' 0 C--N 1.294 -1.84 0 O-C-N 120.253 -1.529 . . . . 0.0 108.854 179.68 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.3 m -79.79 -35.45 16.35 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.666 0 N-CA-C 112.361 0.504 . . . . 0.0 112.361 -178.744 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 12.0 m-85 -59.96 -48.1 83.1 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.589 -1.319 . . . . 0.0 110.548 -179.375 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 73.7 t60 -78.82 -22.88 45.53 Favored 'General case' 0 C--N 1.299 -1.617 0 O-C-N 121.646 -0.659 . . . . 0.0 112.043 -177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.38 -57.98 3.95 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 120.462 -1.399 . . . . 0.0 111.787 -177.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CD2' ' N ' ' A' ' 19' ' ' SER . 0.3 OUTLIER -77.33 -28.57 53.2 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.161 -1.587 . . . . 0.0 111.401 -178.152 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.555 ' OG ' HD11 ' A' ' 28' ' ' LEU . 68.2 m -67.12 -3.84 8.57 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 120.699 -1.251 . . . . 0.0 110.191 -178.801 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.15 16.52 42.22 Favored Glycine 0 N--CA 1.494 2.56 0 N-CA-C 109.253 -1.539 . . . . 0.0 109.253 -179.18 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -92.91 -79.22 0.4 Allowed 'General case' 0 N--CA 1.487 1.412 0 O-C-N 121.293 -1.122 . . . . 0.0 109.427 178.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 77.3 mm-40 -107.34 -16.75 14.31 Favored 'General case' 0 N--CA 1.505 2.295 0 O-C-N 121.559 -0.713 . . . . 0.0 111.389 -177.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.579 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -82.28 -159.99 26.5 Favored Glycine 0 N--CA 1.493 2.486 0 N-CA-C 109.019 -1.632 . . . . 0.0 109.019 -179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 -88.92 169.86 11.2 Favored 'General case' 0 C--N 1.306 -1.32 0 N-CA-C 107.372 -1.344 . . . . 0.0 107.372 178.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -53.96 -37.92 64.44 Favored 'General case' 0 C--N 1.293 -1.874 0 C-N-CA 118.912 -1.115 . . . . 0.0 109.712 -179.047 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 41.8 p90 -129.99 30.02 4.87 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 120.574 -1.329 . . . . 0.0 112.644 -178.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.0 tppt? -137.24 143.73 42.41 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.138 -1.601 . . . . 0.0 108.976 178.083 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.555 HD11 ' OG ' ' A' ' 19' ' ' SER . 2.9 mm? -97.79 156.86 16.38 Favored 'General case' 0 N--CA 1.495 1.821 0 CA-C-O 122.115 0.959 . . . . 0.0 111.214 -178.441 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . . . . . . . . . 83.1 p -131.04 162.47 29.73 Favored 'General case' 0 N--CA 1.49 1.525 0 N-CA-C 108.191 -1.04 . . . . 0.0 108.191 179.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.408 ' HA ' HD21 ' A' ' 33' ' ' LEU . 75.5 tttt -46.38 -39.98 11.25 Favored 'General case' 0 N--CA 1.501 2.101 0 O-C-N 121.06 -1.025 . . . . 0.0 111.775 -179.713 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.34 -25.07 59.31 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.52 -1.363 . . . . 0.0 112.046 -177.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.579 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 89.4 mt-10 -80.61 -34.1 35.35 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.356 -1.465 . . . . 0.0 111.499 -178.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.408 HD21 ' HA ' ' A' ' 30' ' ' LYS . 3.0 pp -75.02 -35.26 61.97 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.796 -1.19 . . . . 0.0 109.743 179.37 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 3.2 ttmp? -60.29 -40.92 92.19 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 121.047 -1.033 . . . . 0.0 111.267 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -79.65 -26.45 41.07 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 120.705 -1.247 . . . . 0.0 110.948 -178.555 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.415 ' HB2' ' CE1' ' A' ' 18' ' ' HIS . 62.2 tp -63.68 -38.92 92.95 Favored 'General case' 0 C--N 1.29 -2.016 0 O-C-N 120.993 -1.067 . . . . 0.0 111.231 -178.694 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.33 -33.94 23.79 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 121.121 -0.987 . . . . 0.0 112.901 -178.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.518 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 2.6 pp0? -69.93 -29.83 67.08 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 120.533 -1.354 . . . . 0.0 109.815 -178.582 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.518 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 8.4 m -80.28 -50.01 10.78 Favored 'General case' 0 C--N 1.304 -1.41 0 O-C-N 121.636 -0.665 . . . . 0.0 111.678 -177.437 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.457 ' OE2' ' HA2' ' B' ' 1' ' ' GLY . 71.0 mm-40 -88.23 -56.62 3.25 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.267 -0.896 . . . . 0.0 111.977 -177.408 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 12.7 mt -100.64 73.55 1.62 Allowed 'General case' 0 N--CA 1.501 2.089 0 O-C-N 121.147 -0.971 . . . . 0.0 109.763 -178.463 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 31.7 t -82.64 -19.99 37.18 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.633 -0.667 . . . . 0.0 111.928 -179.354 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 48.5 m -107.24 3.35 25.44 Favored 'General case' 0 N--CA 1.506 2.339 0 O-C-N 120.889 -1.132 . . . . 0.0 111.437 -178.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.27 -85.74 0.61 Allowed 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.076 -1.015 . . . . 0.0 109.103 -179.673 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.45 HD11 ' HB2' ' A' ' 81' ' ' LEU . 3.5 mm? -63.9 135.05 56.23 Favored 'General case' 0 C--N 1.303 -1.454 0 N-CA-C 108.406 -0.961 . . . . 0.0 108.406 179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.464 ' OD1' ' N ' ' A' ' 46' ' ' ASP . 20.9 p-10 -118.41 148.96 42.01 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 107.94 -1.133 . . . . 0.0 107.94 179.053 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.431 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 4.2 m -151.2 -36.26 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.296 -1.72 0 N-CA-C 106.662 -1.606 . . . . 0.0 106.662 179.252 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 25.5 mt-30 -83.71 -31.4 26.08 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.791 -0.568 . . . . 0.0 110.365 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 16.1 mttm -60.05 -41.79 93.07 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.204 -0.935 . . . . 0.0 110.861 -177.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.421 ' OD2' ' O ' ' C' ' 12' ' ' GLN . 97.6 m-20 -129.13 111.9 13.41 Favored 'General case' 0 N--CA 1.498 1.943 0 O-C-N 121.487 -0.758 . . . . 0.0 110.23 -179.482 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.98 -29.11 70.03 Favored 'General case' 0 C--N 1.3 -1.552 0 N-CA-C 107.891 -1.152 . . . . 0.0 107.891 178.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -60.07 -39.93 87.77 Favored 'General case' 0 C--N 1.304 -1.404 0 N-CA-C 108.689 -0.856 . . . . 0.0 108.689 179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.0 -38.27 87.98 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.433 -0.792 . . . . 0.0 110.951 179.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.431 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 54.6 t -70.08 -56.99 9.33 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.547 0 O-C-N 121.133 -0.979 . . . . 0.0 111.96 -177.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 48.4 t0 -62.16 -39.94 94.33 Favored 'General case' 0 C--N 1.292 -1.926 0 O-C-N 120.513 -1.367 . . . . 0.0 110.834 -177.629 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 63.8 mmtt -69.58 -39.93 77.04 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 121.303 -0.873 . . . . 0.0 111.385 -177.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.535 ' O ' ' N ' ' A' ' 61' ' ' LEU . 84.8 mt -80.86 -53.73 11.84 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 121.206 -0.933 . . . . 0.0 110.438 -177.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 4.9 tpt -60.12 -46.95 87.92 Favored 'General case' 0 C--N 1.295 -1.789 0 O-C-N 121.657 -0.652 . . . . 0.0 111.77 -178.14 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -68.92 -36.68 78.27 Favored 'General case' 0 C--N 1.3 -1.552 0 O-C-N 120.727 -1.233 . . . . 0.0 109.783 -178.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 64.3 mm-40 -87.58 -16.99 33.0 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.046 -1.034 . . . . 0.0 109.451 -179.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.539 ' C ' ' H ' ' A' ' 63' ' ' GLU . 66.2 tp -86.69 -21.21 26.8 Favored 'General case' 0 N--CA 1.506 2.37 0 N-CA-C 107.39 -1.337 . . . . 0.0 107.39 -179.65 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.63 ' O ' ' N ' ' A' ' 65' ' ' GLY . 35.4 t0 -89.78 48.61 1.61 Allowed 'General case' 0 N--CA 1.492 1.665 0 N-CA-C 102.827 -3.027 . . . . 0.0 102.827 174.161 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.539 ' H ' ' C ' ' A' ' 61' ' ' LEU . 19.9 pt-20 -40.7 -16.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.14 0 CA-C-N 111.02 -2.809 . . . . 0.0 110.638 -176.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.528 ' N ' ' O ' ' A' ' 62' ' ' ASP . 23.8 m120 -87.47 4.9 41.55 Favored 'General case' 0 N--CA 1.495 1.812 0 N-CA-C 107.497 -1.297 . . . . 0.0 107.497 178.379 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.63 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 54.52 38.62 63.58 Favored Glycine 0 N--CA 1.494 2.538 0 CA-C-N 115.808 -0.633 . . . . 0.0 111.777 178.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.453 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.2 p30 -104.2 -10.49 17.87 Favored 'General case' 0 N--CA 1.505 2.301 0 O-C-N 120.909 -1.348 . . . . 0.0 110.679 179.609 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.55 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.05 -6.63 66.24 Favored Glycine 0 N--CA 1.502 3.06 0 O-C-N 120.649 -1.282 . . . . 0.0 110.861 178.62 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.5 mt-10 -120.31 143.4 48.38 Favored 'General case' 0 N--CA 1.485 1.3 0 N-CA-C 107.257 -1.386 . . . . 0.0 107.257 179.465 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 69.7 t -103.04 132.71 48.65 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.746 0 O-C-N 121.115 -0.991 . . . . 0.0 111.758 -176.765 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -80.05 155.2 27.68 Favored 'General case' 0 C--N 1.301 -1.533 0 N-CA-C 106.928 -1.508 . . . . 0.0 106.928 177.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -59.98 -39.96 87.49 Favored 'General case' 0 C--N 1.295 -1.764 0 O-C-N 120.861 -1.149 . . . . 0.0 109.57 -178.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 58.9 tt0 -60.4 -39.73 88.43 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.207 -0.933 . . . . 0.0 111.155 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.44 -40.05 81.27 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.482 -1.386 . . . . 0.0 110.548 -178.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 33.8 t80 -64.82 -49.89 68.86 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.398 -0.814 . . . . 0.0 111.913 -178.052 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -60.1 -38.03 75.33 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.814 0 O-C-N 121.147 -0.97 . . . . 0.0 112.046 -177.649 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.19 -60.03 3.07 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.886 0 O-C-N 120.876 -1.14 . . . . 0.0 111.889 -177.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.906 HD21 ' HE1' ' C' ' 5' ' ' TRP . 1.0 OUTLIER -69.42 -44.7 70.84 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.153 -0.967 . . . . 0.0 111.565 -176.853 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 46.2 t -65.78 -39.97 86.36 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.758 0 O-C-N 121.066 -1.021 . . . . 0.0 111.056 -178.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.42 -23.3 62.72 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.334 -0.854 . . . . 0.0 109.388 -179.418 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.95 -26.99 64.38 Favored 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.502 -0.748 . . . . 0.0 110.402 179.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.45 ' HB2' HD11 ' A' ' 45' ' ' LEU . 27.5 mt -86.47 -40.6 15.15 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 120.971 -1.081 . . . . 0.0 111.548 -178.773 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -63.98 -45.15 90.34 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 120.487 -1.383 . . . . 0.0 109.104 -178.744 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.506 HG13 ' N ' ' A' ' 84' ' ' ALA . 9.8 p -70.27 -43.25 78.73 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.707 0 O-C-N 121.481 -0.762 . . . . 0.0 110.252 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.506 ' N ' HG13 ' A' ' 83' ' ' VAL . . . -61.99 -32.92 73.42 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.413 -0.805 . . . . 0.0 110.407 -179.494 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 52.2 t -61.96 -39.79 93.33 Favored 'General case' 0 C--N 1.302 -1.482 0 O-C-N 121.372 -0.83 . . . . 0.0 109.236 179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 23.0 t-20 -60.06 -39.41 85.92 Favored 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.5 -0.75 . . . . 0.0 109.443 -179.802 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -60.03 -40.24 88.66 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.225 -0.922 . . . . 0.0 109.677 -179.562 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 70.9 m-85 -81.34 -9.77 59.68 Favored 'General case' 0 N--CA 1.493 1.695 0 O-C-N 121.151 -0.968 . . . . 0.0 109.686 179.405 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 97.1 m-85 58.39 102.22 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.716 0 CA-C-O 121.544 0.688 . . . . 0.0 109.46 -179.182 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 35.5 t90 -57.02 -22.31 37.71 Favored 'General case' 0 N--CA 1.49 1.53 0 O-C-N 121.486 -0.759 . . . . 0.0 109.377 -179.764 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 80.4 mm-40 -60.02 -25.6 65.43 Favored 'General case' 0 N--CA 1.49 1.536 0 O-C-N 121.329 -0.857 . . . . 0.0 109.358 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -80.06 -4.0 50.93 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 108.421 -0.955 . . . . 0.0 108.421 179.612 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 42.5 t . . . . . 0 C--N 1.305 -1.349 0 CA-C-O 118.041 -0.98 . . . . 0.0 109.076 -179.727 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . 0.457 ' HA2' ' OE2' ' A' ' 40' ' ' GLU . . . . . . . . 1 N--CA 1.53 4.966 0 N-CA-C 119.534 2.574 . . . . 0.0 119.534 . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 97.5 p -107.6 0.75 22.78 Favored 'General case' 0 N--CA 1.499 1.988 0 O-C-N 121.395 -1.062 . . . . 0.0 109.153 179.125 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.446 ' O ' ' OG1' ' B' ' 6' ' ' THR . 43.6 mt-10 -66.42 -53.71 32.51 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.215 -0.928 . . . . 0.0 110.69 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.482 HD13 HD23 ' A' ' 11' ' ' LEU . 16.2 tp -60.05 -39.97 87.79 Favored 'General case' 0 N--CA 1.493 1.707 0 O-C-N 121.244 -0.91 . . . . 0.0 110.513 -178.15 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -54.42 -48.19 71.91 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 120.968 -1.082 . . . . 0.0 109.069 178.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.446 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 20.9 p -65.13 -29.5 70.36 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.68 -0.638 . . . . 0.0 110.517 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.472 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -59.99 -49.51 77.38 Favored 'General case' 0 N--CA 1.491 1.592 0 C-N-CA 119.596 -0.842 . . . . 0.0 110.742 -176.073 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.675 ' SD ' HD11 ' B' ' 12' ' ' ILE . 0.0 OUTLIER -60.02 -40.03 87.89 Favored 'General case' 0 N--CA 1.488 1.447 0 O-C-N 120.578 -1.326 . . . . 0.0 108.981 -179.695 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.4 tp10 -61.45 -39.98 92.82 Favored 'General case' 0 N--CA 1.495 1.785 0 CA-C-O 121.718 0.77 . . . . 0.0 110.235 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.472 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 7.8 p -67.63 -45.65 74.79 Favored 'General case' 0 C--N 1.299 -1.603 0 O-C-N 121.646 -0.659 . . . . 0.0 111.265 -177.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.503 HD23 HD13 ' A' ' 4' ' ' LEU . 61.4 mt -59.83 -44.34 94.09 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.33 -0.857 . . . . 0.0 110.936 -178.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.675 HD11 ' SD ' ' B' ' 8' ' ' MET . 51.1 mt -71.8 -32.85 46.26 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 O-C-N 121.202 -0.936 . . . . 0.0 111.418 -178.012 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.468 ' ND2' ' OE1' ' A' ' 3' ' ' GLU . 0.4 OUTLIER -59.95 -39.85 87.01 Favored 'General case' 0 C--N 1.29 -1.982 0 O-C-N 120.57 -1.331 . . . . 0.0 108.551 -179.243 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 23.6 m -79.91 -35.35 16.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.76 0 C-N-CA 120.368 -0.533 . . . . 0.0 112.367 -178.806 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 11.9 m-85 -60.1 -47.88 84.06 Favored 'General case' 0 N--CA 1.504 2.23 0 O-C-N 120.569 -1.332 . . . . 0.0 110.483 -179.135 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 74.4 t60 -79.05 -22.78 44.87 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.67 -0.644 . . . . 0.0 111.929 -177.393 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.46 -58.1 3.82 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.459 -1.401 . . . . 0.0 111.723 -177.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.543 ' CD2' ' N ' ' B' ' 19' ' ' SER . 0.3 OUTLIER -77.12 -28.85 54.5 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 120.142 -1.599 . . . . 0.0 111.456 -178.33 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.577 ' OG ' HD11 ' B' ' 28' ' ' LEU . 69.8 m -66.98 -3.63 7.61 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.749 -1.219 . . . . 0.0 110.184 -178.746 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -106.2 16.36 42.21 Favored Glycine 0 N--CA 1.494 2.528 0 N-CA-C 109.261 -1.535 . . . . 0.0 109.261 -179.203 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 95.7 mttt -92.78 -79.28 0.4 Allowed 'General case' 0 C--N 1.304 -1.393 0 O-C-N 121.321 -1.105 . . . . 0.0 109.49 179.015 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 77.4 mm-40 -107.35 -16.53 14.36 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 121.512 -0.743 . . . . 0.0 111.291 -177.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.588 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -82.43 -159.94 26.76 Favored Glycine 0 N--CA 1.493 2.46 0 N-CA-C 109.006 -1.638 . . . . 0.0 109.006 -179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 53.4 m-20 -88.67 169.96 11.23 Favored 'General case' 0 C--N 1.305 -1.357 0 N-CA-C 107.348 -1.353 . . . . 0.0 107.348 178.694 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -54.2 -37.85 65.0 Favored 'General case' 0 C--N 1.292 -1.907 0 C-N-CA 118.859 -1.136 . . . . 0.0 109.734 -179.253 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 40.8 p90 -130.12 30.18 4.82 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.546 -1.346 . . . . 0.0 112.608 -178.211 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 5.7 tppt? -137.06 143.87 42.86 Favored 'General case' 0 N--CA 1.51 2.532 0 O-C-N 120.272 -1.518 . . . . 0.0 108.954 177.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.577 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.0 mm? -98.02 156.66 16.53 Favored 'General case' 0 N--CA 1.496 1.837 0 CA-C-O 122.074 0.94 . . . . 0.0 111.218 -178.474 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . . . . . . . . . 84.0 p -130.85 162.12 30.31 Favored 'General case' 0 N--CA 1.491 1.588 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 179.571 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . 0.416 ' HA ' HD21 ' B' ' 33' ' ' LEU . 76.7 tttt -45.87 -39.99 9.35 Favored 'General case' 0 N--CA 1.501 2.088 0 O-C-N 121.076 -1.015 . . . . 0.0 111.767 -179.82 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 22.7 tptm -74.78 -24.72 58.71 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.451 -1.406 . . . . 0.0 112.018 -177.573 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.588 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 90.7 mt-10 -80.66 -33.98 35.16 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.384 -1.448 . . . . 0.0 111.509 -179.123 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.416 HD21 ' HA ' ' B' ' 30' ' ' LYS . 3.0 pp -75.03 -35.53 61.93 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 120.819 -1.176 . . . . 0.0 109.73 179.453 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 3.1 ttmp? -60.13 -40.81 91.06 Favored 'General case' 0 N--CA 1.497 1.891 0 O-C-N 121.062 -1.024 . . . . 0.0 111.305 -179.572 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.409 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 54.1 t0 -79.8 -26.24 40.62 Favored 'General case' 0 N--CA 1.499 2.007 0 O-C-N 120.766 -1.209 . . . . 0.0 110.863 -178.525 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.433 ' HB2' ' CE1' ' B' ' 18' ' ' HIS . 62.3 tp -63.94 -38.78 92.34 Favored 'General case' 0 C--N 1.29 -2.01 0 O-C-N 121.042 -1.037 . . . . 0.0 111.313 -178.701 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 84.5 mt -84.26 -34.48 23.82 Favored 'General case' 0 N--CA 1.5 2.056 0 O-C-N 121.012 -1.055 . . . . 0.0 112.8 -178.269 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.521 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 2.6 pp0? -69.39 -29.88 67.73 Favored 'General case' 0 C--N 1.294 -1.823 0 O-C-N 120.494 -1.379 . . . . 0.0 109.766 -178.533 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.521 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 8.9 m -80.31 -50.13 10.6 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.663 -0.648 . . . . 0.0 111.684 -177.407 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.452 ' OE2' ' O ' ' A' ' 1' ' ' GLY . 70.5 mm-40 -88.23 -56.75 3.19 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.305 -0.872 . . . . 0.0 111.936 -177.378 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 12.5 mt -100.41 73.74 1.68 Allowed 'General case' 0 N--CA 1.501 2.092 0 O-C-N 121.139 -0.975 . . . . 0.0 109.797 -178.554 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 35.0 t -82.86 -19.82 36.74 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.637 -0.664 . . . . 0.0 111.891 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 51.2 m -107.52 3.81 25.4 Favored 'General case' 0 N--CA 1.505 2.283 0 O-C-N 120.951 -1.093 . . . . 0.0 111.344 -178.149 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -126.43 -85.8 0.61 Allowed 'General case' 0 N--CA 1.5 2.064 0 O-C-N 121.111 -0.993 . . . . 0.0 109.056 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.453 HD11 ' HB2' ' B' ' 81' ' ' LEU . 3.4 mm? -63.79 135.12 56.38 Favored 'General case' 0 C--N 1.303 -1.416 0 N-CA-C 108.471 -0.937 . . . . 0.0 108.471 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 20.9 p-10 -118.57 148.91 42.18 Favored 'General case' 0 C--N 1.299 -1.588 0 N-CA-C 107.941 -1.133 . . . . 0.0 107.941 179.129 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.427 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 4.1 m -151.27 -36.34 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.297 -1.688 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 179.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 25.7 mt-30 -83.4 -31.45 26.67 Favored 'General case' 0 N--CA 1.49 1.529 0 O-C-N 121.643 -0.661 . . . . 0.0 110.297 179.503 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 16.2 mttm -60.06 -41.65 92.83 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.251 -0.905 . . . . 0.0 110.774 -177.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.7 m-20 -129.49 111.55 12.88 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.392 -0.818 . . . . 0.0 110.21 -179.303 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -61.99 -28.86 69.86 Favored 'General case' 0 C--N 1.301 -1.511 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -59.99 -40.05 87.83 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.625 -0.88 . . . . 0.0 108.625 179.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.89 -35.97 81.77 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.595 -0.691 . . . . 0.0 111.314 179.71 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 48.2 t -71.99 -56.76 9.07 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.486 0 O-C-N 121.105 -0.997 . . . . 0.0 111.814 -178.489 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.419 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 48.9 t0 -62.2 -40.04 94.75 Favored 'General case' 0 C--N 1.291 -1.935 0 O-C-N 120.567 -1.333 . . . . 0.0 110.709 -177.648 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 64.2 mmtt -69.58 -39.85 77.06 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 121.359 -0.838 . . . . 0.0 111.456 -177.47 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.542 ' O ' ' N ' ' B' ' 61' ' ' LEU . 83.1 mt -80.83 -53.96 11.37 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.508 0 O-C-N 121.174 -0.954 . . . . 0.0 110.452 -177.543 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 5.0 tpt -59.98 -46.47 89.34 Favored 'General case' 0 C--N 1.294 -1.808 0 O-C-N 121.666 -0.646 . . . . 0.0 111.777 -178.181 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 57.0 tttm -69.37 -36.46 76.86 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 120.648 -1.282 . . . . 0.0 109.848 -178.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 64.4 mm-40 -87.66 -17.13 32.53 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.122 -0.986 . . . . 0.0 109.513 -179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.542 ' N ' ' O ' ' B' ' 57' ' ' ILE . 65.9 tp -86.49 -21.61 26.9 Favored 'General case' 0 N--CA 1.504 2.247 0 N-CA-C 107.407 -1.331 . . . . 0.0 107.407 -179.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.632 ' O ' ' N ' ' B' ' 65' ' ' GLY . 35.3 t0 -89.51 48.83 1.65 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 102.936 -2.987 . . . . 0.0 102.936 174.174 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.529 ' H ' ' C ' ' B' ' 61' ' ' LEU . 19.9 pt-20 -40.91 -16.78 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.164 0 CA-C-N 110.912 -2.858 . . . . 0.0 110.636 -176.876 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.517 ' N ' ' O ' ' B' ' 62' ' ' ASP . 24.1 m120 -87.38 4.88 41.36 Favored 'General case' 0 N--CA 1.494 1.774 0 N-CA-C 107.6 -1.259 . . . . 0.0 107.6 178.359 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.632 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 55.14 37.11 62.95 Favored Glycine 0 N--CA 1.494 2.554 0 CA-C-N 115.704 -0.68 . . . . 0.0 111.854 178.635 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -103.06 -10.56 18.8 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.872 -1.369 . . . . 0.0 110.696 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.549 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 81.67 -6.06 67.0 Favored Glycine 0 N--CA 1.499 2.839 0 O-C-N 120.68 -1.262 . . . . 0.0 110.682 178.719 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.581 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.0 mt-10 -120.59 142.82 49.03 Favored 'General case' 0 N--CA 1.488 1.442 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.302 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 71.7 t -101.49 132.82 46.59 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.95 0 O-C-N 120.981 -1.074 . . . . 0.0 112.122 -176.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 95.7 m-20 -80.08 155.16 27.66 Favored 'General case' 0 C--N 1.303 -1.442 0 N-CA-C 106.906 -1.516 . . . . 0.0 106.906 177.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 92.3 m-85 -59.9 -40.17 87.89 Favored 'General case' 0 C--N 1.297 -1.71 0 O-C-N 120.782 -1.199 . . . . 0.0 109.477 -179.033 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 59.2 tt0 -60.42 -39.69 88.34 Favored 'General case' 0 N--CA 1.497 1.897 0 O-C-N 121.262 -0.899 . . . . 0.0 111.141 -179.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 90.5 mt-10 -68.53 -39.91 80.98 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.477 -1.389 . . . . 0.0 110.65 -178.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 33.1 t80 -64.74 -50.03 68.49 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.401 -0.812 . . . . 0.0 111.728 -178.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.6 p -59.95 -38.27 75.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 121.116 -0.99 . . . . 0.0 112.124 -177.523 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 25.4 t -67.06 -60.17 2.91 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.855 0 O-C-N 120.853 -1.154 . . . . 0.0 111.905 -177.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.903 HD21 ' HE1' ' D' ' 5' ' ' TRP . 1.1 tm? -69.2 -44.78 71.43 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.077 -1.015 . . . . 0.0 111.473 -176.64 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 44.9 t -65.62 -39.97 86.58 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.195 -0.941 . . . . 0.0 111.33 -178.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -70.31 -23.36 62.83 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.328 -0.857 . . . . 0.0 109.482 -179.52 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -72.1 -21.28 61.51 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.516 -0.74 . . . . 0.0 110.789 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.453 ' HB2' HD11 ' B' ' 45' ' ' LEU . 21.6 mt -91.39 -39.99 11.69 Favored 'General case' 0 N--CA 1.502 2.161 0 O-C-N 120.746 -1.221 . . . . 0.0 111.035 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.401 HG22 ' H ' ' B' ' 82' ' ' THR . 0.1 OUTLIER -64.1 -44.66 91.62 Favored 'General case' 0 N--CA 1.495 1.791 0 C-N-CA 118.15 -1.42 . . . . 0.0 109.016 -179.022 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.507 HG13 ' N ' ' B' ' 84' ' ' ALA . 9.8 p -70.65 -43.65 77.33 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.738 0 O-C-N 121.412 -0.805 . . . . 0.0 110.138 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.507 ' N ' HG13 ' B' ' 83' ' ' VAL . . . -61.62 -33.05 73.26 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.436 -0.79 . . . . 0.0 110.307 -179.447 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 52.4 t -61.85 -39.85 93.28 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.402 -0.811 . . . . 0.0 109.226 179.786 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 22.9 t-20 -59.87 -39.59 85.78 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 121.56 -0.713 . . . . 0.0 109.453 -179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -60.01 -40.07 87.98 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.159 -0.963 . . . . 0.0 109.66 -179.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 70.4 m-85 -81.6 -9.65 59.62 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.1 -1.0 . . . . 0.0 109.724 179.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 97.0 m-85 58.42 102.3 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.7 0 CA-C-O 121.53 0.681 . . . . 0.0 109.396 -179.214 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 35.4 t90 -57.18 -22.15 38.4 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.536 -0.727 . . . . 0.0 109.393 -179.818 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 79.8 mm-40 -59.99 -25.65 65.42 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.389 -0.819 . . . . 0.0 109.358 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 97.7 m-20 -80.01 -4.2 51.61 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 108.498 -0.927 . . . . 0.0 108.498 179.592 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 42.9 t . . . . . 0 C--N 1.303 -1.426 0 CA-C-O 118.04 -0.981 . . . . 0.0 109.116 -179.734 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 39.8 tttm . . . . . 0 N--CA 1.491 1.579 0 N-CA-C 108.839 -0.8 . . . . 0.0 108.839 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 49.6 mtmt -60.05 -37.52 80.08 Favored 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.612 -0.68 . . . . 0.0 109.788 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.33 -40.52 82.33 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.239 -0.913 . . . . 0.0 109.673 -179.051 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.29 -40.04 86.36 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.568 0 O-C-N 121.078 -1.014 . . . . 0.0 109.471 179.286 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -59.96 -41.59 92.26 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.26 -0.9 . . . . 0.0 109.624 -179.676 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 43.4 m-70 -59.9 -40.0 87.29 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.134 -0.979 . . . . 0.0 110.495 -179.349 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 7.4 ttpm? -60.01 -49.89 75.88 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.135 -0.978 . . . . 0.0 110.161 -179.252 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.547 HD13 HD11 ' A' ' 57' ' ' ILE . 38.6 tp -60.06 -50.04 75.29 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.184 -0.947 . . . . 0.0 110.999 -179.289 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 42.6 mt -68.84 -39.93 79.7 Favored 'General case' 0 C--N 1.303 -1.422 0 O-C-N 121.149 -0.969 . . . . 0.0 109.558 -178.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 36.8 t -63.11 -40.67 98.31 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.031 -1.043 . . . . 0.0 110.031 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -64.98 -40.24 94.68 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.032 -1.042 . . . . 0.0 109.68 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.43 ' NE2' ' C ' ' C' ' 12' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.74 0 O-C-N 120.978 -1.076 . . . . 0.0 109.478 -179.825 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 39.9 tttm . . . . . 0 N--CA 1.491 1.6 0 N-CA-C 108.787 -0.82 . . . . 0.0 108.787 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 50.3 mtmt -60.07 -37.53 80.18 Favored 'General case' 0 N--CA 1.489 1.506 0 O-C-N 121.645 -0.66 . . . . 0.0 109.824 179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.56 -40.34 82.78 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.167 -0.958 . . . . 0.0 109.575 -178.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.33 -39.99 86.22 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.531 0 O-C-N 121.148 -0.97 . . . . 0.0 109.481 179.181 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.6 OUTLIER -60.12 -41.34 92.41 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.269 -0.894 . . . . 0.0 109.561 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 41.8 m-70 -59.99 -40.05 87.87 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.192 -0.943 . . . . 0.0 110.386 -179.412 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 7.3 ttpm? -60.1 -49.9 75.84 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.027 -1.045 . . . . 0.0 110.017 -179.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.481 HD13 HD11 ' B' ' 57' ' ' ILE . 42.2 tp -60.08 -50.03 75.3 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.28 -0.888 . . . . 0.0 111.0 -179.188 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 35.8 mt -68.73 -40.02 80.09 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 121.147 -0.971 . . . . 0.0 109.508 -178.511 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 38.3 t -63.12 -40.52 97.85 Favored 'General case' 0 N--CA 1.489 1.51 0 O-C-N 121.006 -1.059 . . . . 0.0 110.119 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 1.1 mptm? -65.08 -40.11 94.17 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 120.956 -1.09 . . . . 0.0 109.654 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.439 ' NE2' ' C ' ' D' ' 12' ' ' GLN . 0.7 OUTLIER . . . . . 0 N--CA 1.494 1.738 0 O-C-N 121.001 -1.062 . . . . 0.0 109.456 -179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.89 0 N-CA-C 119.408 2.523 . . . . 0.0 119.408 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -107.33 -1.29 21.79 Favored 'General case' 0 N--CA 1.497 1.917 0 O-C-N 121.533 -0.98 . . . . 0.0 108.686 178.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.604 ' OE1' HG22 ' B' ' 10' ' ' THR . 71.1 mm-40 -68.84 -53.15 23.08 Favored 'General case' 0 N--CA 1.491 1.625 0 O-C-N 121.495 -0.753 . . . . 0.0 109.941 -179.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.546 ' CD1' HD23 ' B' ' 11' ' ' LEU . 15.3 tp -60.0 -40.01 87.76 Favored 'General case' 0 N--CA 1.493 1.707 0 CA-C-O 121.524 0.678 . . . . 0.0 110.129 -179.078 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 99.6 mt-10 -56.56 -48.43 77.34 Favored 'General case' 0 C--N 1.299 -1.593 0 CA-C-O 122.376 1.084 . . . . 0.0 108.897 179.074 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.469 HG22 HG21 ' B' ' 10' ' ' THR . 0.3 OUTLIER -65.17 -26.01 67.98 Favored 'General case' 0 C--N 1.296 -1.718 0 N-CA-C 108.866 -0.79 . . . . 0.0 108.866 179.806 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.407 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -59.32 -48.61 80.98 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.026 -1.046 . . . . 0.0 109.779 -178.138 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.8 ttt -60.01 -40.01 87.81 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 121.253 -0.905 . . . . 0.0 110.09 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.99 -39.97 94.04 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 121.335 -0.853 . . . . 0.0 110.501 -179.702 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.523 HG22 ' OE1' ' B' ' 3' ' ' GLU . 17.3 p -71.61 -45.58 61.71 Favored 'General case' 0 C--N 1.296 -1.749 0 CA-C-O 121.402 0.62 . . . . 0.0 112.152 -177.214 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.531 HD23 ' CD1' ' B' ' 4' ' ' LEU . 54.3 mt -59.96 -42.2 93.59 Favored 'General case' 0 C--N 1.3 -1.557 0 O-C-N 121.535 -0.728 . . . . 0.0 111.806 -178.031 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 35.6 mt -80.28 -27.27 11.81 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.819 0 O-C-N 121.082 -1.011 . . . . 0.0 111.479 -177.32 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 -60.04 -39.27 85.32 Favored 'General case' 0 C--N 1.297 -1.709 0 O-C-N 120.289 -1.507 . . . . 0.0 108.351 179.301 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.419 ' H ' HG22 ' A' ' 14' ' ' VAL . 17.3 m -78.68 -35.48 18.56 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.763 0 CA-C-N 115.452 -0.794 . . . . 0.0 111.324 -179.579 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.41 ' CD1' ' O ' ' A' ' 11' ' ' LEU . 17.8 m-30 -60.04 -51.04 71.32 Favored 'General case' 0 N--CA 1.501 2.107 0 O-C-N 120.942 -1.099 . . . . 0.0 110.964 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 11.9 m-70 -79.19 -26.5 42.64 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 121.477 -0.765 . . . . 0.0 111.921 -177.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.31 -60.04 2.51 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.388 -1.445 . . . . 0.0 110.539 -178.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . 0.539 ' CE1' ' OE2' ' A' ' 40' ' ' GLU . 77.1 m80 -66.54 -38.27 86.78 Favored 'General case' 0 N--CA 1.489 1.525 0 O-C-N 120.849 -1.157 . . . . 0.0 110.472 -178.566 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 t -64.9 -12.57 50.6 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 121.097 -1.002 . . . . 0.0 111.768 -178.802 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.71 14.58 60.36 Favored Glycine 0 N--CA 1.498 2.818 0 O-C-N 121.267 -0.895 . . . . 0.0 111.005 -177.46 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 94.7 mttt -89.03 -65.68 1.0 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 120.846 -1.385 . . . . 0.0 109.229 179.121 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 62.4 mt-10 -121.4 -5.14 9.35 Favored 'General case' 0 N--CA 1.507 2.383 0 O-C-N 121.295 -0.878 . . . . 0.0 110.402 -178.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.564 ' N ' ' OE2' ' A' ' 32' ' ' GLU . . . -78.19 -171.16 37.7 Favored Glycine 0 N--CA 1.489 2.193 0 N-CA-C 109.833 -1.307 . . . . 0.0 109.833 -179.334 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.428 ' O ' ' C ' ' A' ' 25' ' ' LYS . 95.7 m-20 -96.46 175.63 6.34 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.554 -0.968 . . . . 0.0 108.928 179.528 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 24' ' ' ASP . 63.3 mttp -39.75 103.72 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.796 0 CA-C-O 122.048 0.928 . . . . 0.0 110.414 -179.477 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 45.0 m-85 40.22 65.79 0.7 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 121.921 0.867 . . . . 0.0 111.138 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.3 144.85 30.98 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 107.031 -1.47 . . . . 0.0 107.031 176.847 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.468 HD22 ' N ' ' A' ' 28' ' ' LEU . 4.2 mm? -96.38 149.34 21.81 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.789 -1.194 . . . . 0.0 110.284 -179.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.473 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 56.4 m -124.5 160.77 27.54 Favored 'General case' 0 C--N 1.294 -1.816 0 N-CA-C 106.032 -1.84 . . . . 0.0 106.032 178.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 41.7 tttm -48.83 -44.54 39.52 Favored 'General case' 0 C--N 1.296 -1.753 0 O-C-N 120.557 -1.34 . . . . 0.0 110.657 -179.269 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.1 ttmt -68.14 -28.97 67.77 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.546 -1.346 . . . . 0.0 111.594 -178.792 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.564 ' OE2' ' N ' ' A' ' 23' ' ' GLY . 85.1 mt-10 -78.36 -36.25 46.37 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 120.674 -1.266 . . . . 0.0 108.725 179.293 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.435 HD23 ' HE2' ' A' ' 34' ' ' LYS . 64.4 tp -60.0 -49.99 75.5 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.712 -0.618 . . . . 0.0 112.232 -179.451 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.435 ' HE2' HD23 ' A' ' 33' ' ' LEU . 18.0 mmtt -67.63 -41.76 83.41 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 120.82 -1.175 . . . . 0.0 112.023 -176.644 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.5 t70 -68.06 -30.01 69.11 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.736 -1.227 . . . . 0.0 108.723 179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.439 HD23 ' CE2' ' A' ' 74' ' ' PHE . 48.0 tp -60.02 -39.33 85.45 Favored 'General case' 0 C--N 1.289 -2.051 0 N-CA-C 112.608 0.596 . . . . 0.0 112.608 -178.58 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 41' ' ' LEU . 57.6 mt -83.04 -41.6 18.46 Favored 'General case' 0 N--CA 1.508 2.471 0 O-C-N 120.231 -1.543 . . . . 0.0 112.12 -178.213 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -81.06 -16.21 53.85 Favored 'General case' 0 N--CA 1.497 1.91 0 O-C-N 120.727 -1.233 . . . . 0.0 111.348 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 29.2 m -90.36 -28.48 18.67 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.416 -1.427 . . . . 0.0 109.369 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.539 ' OE2' ' CE1' ' A' ' 18' ' ' HIS . 13.2 mp0 -109.86 -39.46 5.07 Favored 'General case' 0 N--CA 1.496 1.841 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 179.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . 0.501 ' O ' ' O ' ' A' ' 37' ' ' LEU . 1.8 mt -102.22 136.18 42.52 Favored 'General case' 0 N--CA 1.494 1.77 0 CA-C-O 122.284 1.04 . . . . 0.0 108.447 178.868 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 68.0 m -50.52 -87.69 0.0 OUTLIER 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.357 -0.84 . . . . 0.0 111.198 -178.119 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 5.5 m -161.38 42.25 0.15 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.372 -0.83 . . . . 0.0 110.684 -179.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.7 m-85 -76.98 -40.0 48.39 Favored 'General case' 0 N--CA 1.487 1.391 0 N-CA-C 104.514 -2.402 . . . . 0.0 104.514 177.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.426 ' N ' HD13 ' A' ' 45' ' ' LEU . 0.5 OUTLIER -94.85 128.73 41.81 Favored 'General case' 0 C--N 1.303 -1.426 0 N-CA-C 104.512 -2.403 . . . . 0.0 104.512 175.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 33.8 p-10 -98.26 146.69 25.39 Favored 'General case' 0 C--N 1.289 -2.036 0 O-C-N 121.131 -0.98 . . . . 0.0 109.218 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . . . . . . . . . 2.4 m -151.0 -33.25 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.483 0 N-CA-C 107.997 -1.112 . . . . 0.0 107.997 178.837 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 81.0 mm-40 -79.99 -68.53 0.66 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.38 -0.825 . . . . 0.0 110.361 -179.275 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.711 ' CD ' ' H ' ' A' ' 49' ' ' LYS . 0.0 OUTLIER -60.01 -38.94 84.13 Favored 'General case' 0 N--CA 1.492 1.642 0 O-C-N 120.979 -1.075 . . . . 0.0 110.761 -178.766 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -95.06 90.24 5.86 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 120.613 -1.305 . . . . 0.0 109.549 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.27 -33.19 69.53 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.368 -0.832 . . . . 0.0 109.338 179.554 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 23.9 t70 -59.92 -38.4 82.22 Favored 'General case' 0 N--CA 1.487 1.407 0 N-CA-C 108.114 -1.069 . . . . 0.0 108.114 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.462 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -62.93 -38.51 91.31 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 121.615 -0.678 . . . . 0.0 110.825 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.401 HG13 ' CE ' ' A' ' 34' ' ' LYS . 67.4 t -69.37 -55.87 13.71 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 O-C-N 120.897 -1.127 . . . . 0.0 112.294 -177.762 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 88.6 m-20 -65.95 -39.97 90.93 Favored 'General case' 0 C--N 1.291 -1.947 0 O-C-N 120.631 -1.293 . . . . 0.0 110.819 -177.575 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 59.7 mmtt -69.25 -39.96 78.16 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 121.275 -0.89 . . . . 0.0 111.061 -177.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.55 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -78.59 -54.18 12.46 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 O-C-N 121.445 -0.784 . . . . 0.0 110.466 -177.029 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 9.9 tpt -59.99 -43.54 95.1 Favored 'General case' 0 C--N 1.294 -1.819 0 O-C-N 121.781 -0.574 . . . . 0.0 112.159 -178.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 43.0 mtmt -68.98 -36.17 77.55 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 120.798 -1.189 . . . . 0.0 110.083 -178.493 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 13.4 pt-20 -92.14 -25.86 18.52 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.03 -1.044 . . . . 0.0 109.724 -179.764 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.566 ' C ' ' H ' ' A' ' 63' ' ' GLU . 64.1 tp -69.97 -36.08 74.94 Favored 'General case' 0 N--CA 1.492 1.628 0 N-CA-C 105.052 -2.203 . . . . 0.0 105.052 -179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.578 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 8.2 t70 -76.7 54.53 0.98 Allowed 'General case' 0 N--CA 1.484 1.275 0 N-CA-C 104.182 -2.525 . . . . 0.0 104.182 174.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.566 ' H ' ' C ' ' A' ' 61' ' ' LEU . 53.1 tp10 -48.69 -22.13 0.73 Allowed 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 111.395 -2.639 . . . . 0.0 110.448 -177.688 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -85.13 -0.08 53.36 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.631 -1.293 . . . . 0.0 107.777 178.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.458 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.34 31.87 78.82 Favored Glycine 0 N--CA 1.495 2.617 0 C-N-CA 120.818 -0.706 . . . . 0.0 111.912 177.823 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.573 ' N ' ' OD1' ' A' ' 62' ' ' ASP . 9.7 p-10 -97.81 -12.35 22.31 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 120.897 -1.355 . . . . 0.0 109.842 178.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.578 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 83.64 -6.03 75.49 Favored Glycine 0 N--CA 1.498 2.78 0 O-C-N 120.759 -1.213 . . . . 0.0 110.275 178.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.545 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.0 mt-10 -120.15 143.14 48.36 Favored 'General case' 0 C--N 1.311 -1.085 0 N-CA-C 107.507 -1.294 . . . . 0.0 107.507 179.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 88.8 t -101.86 131.23 50.22 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.881 0 CA-C-O 122.168 0.985 . . . . 0.0 111.0 -177.118 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -78.0 152.94 32.83 Favored 'General case' 0 C--N 1.302 -1.472 0 N-CA-C 107.259 -1.386 . . . . 0.0 107.259 178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.58 -36.12 71.27 Favored 'General case' 0 C--N 1.297 -1.675 0 O-C-N 120.548 -1.345 . . . . 0.0 108.863 -179.141 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . . . . . . . . . 7.2 tt0 -60.04 -39.95 87.68 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.202 -0.936 . . . . 0.0 110.915 -179.362 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.1 mt-10 -68.65 -39.93 80.48 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 120.428 -1.42 . . . . 0.0 109.652 -179.082 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.458 ' CE2' HD21 ' A' ' 37' ' ' LEU . 26.0 t80 -61.31 -40.06 92.81 Favored 'General case' 0 N--CA 1.497 1.896 0 O-C-N 121.729 -0.607 . . . . 0.0 112.345 -178.936 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.428 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 2.4 p -71.97 -32.98 46.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.798 0 O-C-N 121.131 -0.98 . . . . 0.0 110.88 -177.703 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 67.7 t -70.73 -59.62 3.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.601 0 O-C-N 121.09 -1.006 . . . . 0.0 112.106 -178.4 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.8 tt -71.47 -41.66 69.1 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 120.656 -1.277 . . . . 0.0 112.96 -176.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.404 ' O ' HG23 ' A' ' 82' ' ' THR . 18.5 t -69.98 -40.18 78.31 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.758 0 O-C-N 120.491 -1.381 . . . . 0.0 110.906 -177.797 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.428 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -74.13 -25.57 59.84 Favored 'General case' 0 C--N 1.294 -1.838 0 O-C-N 121.325 -0.859 . . . . 0.0 108.809 179.612 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.67 -31.32 71.43 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.465 -0.772 . . . . 0.0 110.214 179.65 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.503 HD11 HD21 ' C' ' 8' ' ' LEU . 79.1 mt -90.72 -29.0 17.94 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.144 -0.973 . . . . 0.0 110.49 -179.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.508 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 37.1 p -60.82 -54.75 41.35 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.092 -1.005 . . . . 0.0 110.629 -178.747 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.408 HG22 ' H ' ' A' ' 83' ' ' VAL . 20.1 m -80.68 -33.28 13.44 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.768 -1.207 . . . . 0.0 111.031 -179.316 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.15 -39.96 88.2 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.998 -1.064 . . . . 0.0 110.764 -178.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.508 ' SG ' ' O ' ' A' ' 82' ' ' THR . 22.2 p -68.84 -39.06 80.16 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.107 -0.995 . . . . 0.0 108.724 179.29 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.464 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 24.6 t-20 -59.88 -36.44 76.93 Favored 'General case' 0 C--N 1.302 -1.463 0 O-C-N 121.543 -0.723 . . . . 0.0 109.529 179.537 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 45.7 t30 -59.91 -40.52 89.08 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.245 -0.909 . . . . 0.0 110.692 -179.234 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 75.6 m-85 -66.05 -39.61 90.26 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 120.786 -1.196 . . . . 0.0 109.797 -179.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.464 ' CD2' ' O ' ' A' ' 86' ' ' ASN . 56.6 m-85 54.06 99.88 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.155 -0.965 . . . . 0.0 109.978 -179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.55 ' C ' ' H ' ' A' ' 92' ' ' ASN . 95.8 m95 -59.98 148.38 35.51 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.197 -0.939 . . . . 0.0 108.986 179.276 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.503 ' O ' ' CB ' ' A' ' 92' ' ' ASN . 18.8 pt-20 -69.27 22.1 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.317 -0.864 . . . . 0.0 110.12 -179.511 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.55 ' H ' ' C ' ' A' ' 90' ' ' TRP . 36.6 t30 82.01 16.49 0.43 Allowed 'General case' 0 N--CA 1.492 1.675 0 N-CA-C 108.166 -1.05 . . . . 0.0 108.166 -179.331 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 33.8 t . . . . . 0 N--CA 1.485 1.296 0 CA-C-O 118.056 -0.973 . . . . 0.0 109.933 178.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.846 0 N-CA-C 119.491 2.556 . . . . 0.0 119.491 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -106.98 -1.35 22.3 Favored 'General case' 0 N--CA 1.498 1.948 0 O-C-N 121.566 -0.961 . . . . 0.0 108.785 178.879 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.523 ' OE1' HG22 ' A' ' 10' ' ' THR . 71.1 mm-40 -68.78 -53.46 21.65 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.511 -0.743 . . . . 0.0 109.883 -179.713 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.531 ' CD1' HD23 ' A' ' 11' ' ' LEU . 18.8 tp -59.99 -40.02 87.74 Favored 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 121.402 0.62 . . . . 0.0 109.967 -179.009 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -56.43 -48.58 76.71 Favored 'General case' 0 C--N 1.298 -1.656 0 CA-C-O 122.415 1.102 . . . . 0.0 108.932 178.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.451 HG22 HG21 ' A' ' 10' ' ' THR . 0.3 OUTLIER -65.05 -25.47 67.83 Favored 'General case' 0 C--N 1.295 -1.802 0 N-CA-C 108.745 -0.835 . . . . 0.0 108.745 179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.431 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -60.01 -48.26 82.44 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.948 -1.101 . . . . 0.0 109.668 -176.754 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.7 ttt -59.99 -40.03 87.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.397 -0.814 . . . . 0.0 109.999 -179.656 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.6 tp10 -61.77 -40.03 93.72 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.973 0.892 . . . . 0.0 110.363 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.604 HG22 ' OE1' ' A' ' 3' ' ' GLU . 16.8 p -71.59 -45.57 61.8 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.419 0.628 . . . . 0.0 112.297 -177.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.546 HD23 ' CD1' ' A' ' 4' ' ' LEU . 50.5 mt -60.05 -41.52 92.51 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.557 -0.715 . . . . 0.0 111.864 -178.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 35.1 mt -79.91 -29.72 12.92 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.922 0 O-C-N 121.126 -0.984 . . . . 0.0 111.026 -177.361 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -58.66 -38.95 79.25 Favored 'General case' 0 C--N 1.293 -1.853 0 O-C-N 120.518 -1.364 . . . . 0.0 108.127 -179.461 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 16.8 m -79.2 -35.18 17.03 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.769 0 CA-C-N 115.647 -0.706 . . . . 0.0 111.361 -179.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.411 ' CD1' ' O ' ' B' ' 11' ' ' LEU . 17.9 m-30 -60.02 -51.08 71.2 Favored 'General case' 0 N--CA 1.502 2.139 0 O-C-N 120.881 -1.137 . . . . 0.0 110.9 -179.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 12.4 m-70 -79.39 -26.09 42.03 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.453 -0.779 . . . . 0.0 111.958 -177.705 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.57 -59.97 2.53 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.325 -1.485 . . . . 0.0 110.483 -178.631 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . 0.529 ' NE2' ' OE2' ' B' ' 40' ' ' GLU . 76.5 m80 -66.56 -38.44 87.12 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.827 -1.171 . . . . 0.0 110.447 -178.664 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t -64.89 -12.08 44.95 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.232 -0.917 . . . . 0.0 111.756 -178.789 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -100.03 13.9 60.23 Favored Glycine 0 N--CA 1.498 2.832 0 O-C-N 121.299 -0.875 . . . . 0.0 111.006 -177.613 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 93.9 mttt -88.24 -65.59 1.0 Allowed 'General case' 0 N--CA 1.49 1.551 0 O-C-N 120.712 -1.463 . . . . 0.0 109.532 179.183 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 65.6 mt-10 -121.5 -5.18 9.29 Favored 'General case' 0 N--CA 1.508 2.439 0 O-C-N 121.303 -0.873 . . . . 0.0 110.332 -178.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . 0.558 ' N ' ' OE2' ' B' ' 32' ' ' GLU . . . -77.84 -170.65 35.81 Favored Glycine 0 N--CA 1.488 2.138 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.22 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.426 ' O ' ' C ' ' B' ' 25' ' ' LYS . 95.8 m-20 -96.81 176.11 6.11 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.449 -1.03 . . . . 0.0 108.82 179.384 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.426 ' C ' ' O ' ' B' ' 24' ' ' ASP . 62.2 mttp -40.26 103.64 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.768 0 CA-C-O 122.13 0.967 . . . . 0.0 110.416 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 40.2 66.1 0.66 Allowed 'General case' 0 N--CA 1.493 1.701 0 CA-C-O 121.818 0.818 . . . . 0.0 111.104 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.54 144.89 30.79 Favored 'General case' 0 N--CA 1.489 1.524 0 N-CA-C 107.04 -1.467 . . . . 0.0 107.04 176.799 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.463 ' N ' HD22 ' B' ' 28' ' ' LEU . 4.2 mm? -96.34 149.07 22.1 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 120.747 -1.22 . . . . 0.0 110.331 -179.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.481 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 55.2 m -124.23 160.62 27.54 Favored 'General case' 0 C--N 1.294 -1.845 0 N-CA-C 106.047 -1.834 . . . . 0.0 106.047 178.524 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -48.84 -44.17 39.3 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 120.673 -1.267 . . . . 0.0 110.74 -179.294 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 27.3 ttmt -69.44 -27.67 65.45 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 120.545 -1.347 . . . . 0.0 111.382 -178.454 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.558 ' OE2' ' N ' ' B' ' 23' ' ' GLY . 85.6 mt-10 -78.47 -36.41 45.29 Favored 'General case' 0 N--CA 1.487 1.404 0 O-C-N 120.578 -1.326 . . . . 0.0 108.78 178.605 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 66.2 tp -60.12 -50.02 75.33 Favored 'General case' 0 N--CA 1.494 1.745 0 O-C-N 121.591 -0.693 . . . . 0.0 112.122 -179.217 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.418 ' CE ' HG13 ' B' ' 54' ' ' VAL . 18.2 mmtt -67.21 -41.96 84.9 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.821 -1.175 . . . . 0.0 111.978 -176.625 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.408 ' O ' ' OG1' ' B' ' 39' ' ' THR . 13.3 t70 -68.23 -29.8 68.71 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.8 -1.187 . . . . 0.0 108.768 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.44 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.6 tp -60.11 -39.49 86.41 Favored 'General case' 0 C--N 1.289 -2.05 0 O-C-N 121.739 -0.6 . . . . 0.0 112.531 -178.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 41' ' ' LEU . 57.5 mt -83.35 -39.8 20.27 Favored 'General case' 0 N--CA 1.507 2.401 0 O-C-N 120.279 -1.513 . . . . 0.0 112.594 -178.209 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -82.74 -16.06 49.42 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.242 -1.536 . . . . 0.0 111.266 179.588 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.408 ' OG1' ' O ' ' B' ' 35' ' ' ASP . 31.9 m -90.02 -28.64 18.94 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 120.547 -1.345 . . . . 0.0 109.288 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.529 ' OE2' ' NE2' ' B' ' 18' ' ' HIS . 12.8 mp0 -109.83 -39.33 5.12 Favored 'General case' 0 N--CA 1.495 1.775 0 N-CA-C 108.917 -0.772 . . . . 0.0 108.917 179.663 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . 0.497 ' O ' ' O ' ' B' ' 37' ' ' LEU . 1.8 mt -102.33 136.18 42.62 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-O 122.244 1.021 . . . . 0.0 108.472 178.803 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 66.9 m -50.37 -88.34 0.0 OUTLIER 'General case' 0 C--N 1.292 -1.919 0 O-C-N 121.392 -0.817 . . . . 0.0 111.033 -178.256 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 4.5 m -161.13 42.69 0.16 Allowed 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.295 -0.878 . . . . 0.0 110.684 -179.579 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 94.6 m-85 -77.04 -39.98 48.06 Favored 'General case' 0 N--CA 1.485 1.279 0 N-CA-C 104.48 -2.415 . . . . 0.0 104.48 177.31 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.431 HD13 ' N ' ' B' ' 45' ' ' LEU . 0.5 OUTLIER -95.07 128.26 41.76 Favored 'General case' 0 C--N 1.305 -1.359 0 N-CA-C 104.536 -2.394 . . . . 0.0 104.536 176.126 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.421 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 34.0 p-10 -97.96 146.66 25.26 Favored 'General case' 0 C--N 1.29 -1.986 0 O-C-N 121.207 -0.933 . . . . 0.0 109.192 179.781 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . . . . . . . . . 2.2 m -151.04 -33.26 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.303 -1.419 0 N-CA-C 108.041 -1.096 . . . . 0.0 108.041 178.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 80.9 mm-40 -79.94 -68.45 0.67 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.197 -0.939 . . . . 0.0 110.38 -179.299 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.694 ' H ' ' CD ' ' B' ' 49' ' ' LYS . 0.0 OUTLIER -60.08 -38.96 84.47 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.004 -1.06 . . . . 0.0 110.784 -178.795 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 56.5 t0 -95.07 90.12 5.81 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.68 -1.263 . . . . 0.0 109.628 179.851 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -71.2 -32.9 69.41 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.254 -0.904 . . . . 0.0 109.49 179.533 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 23.8 t70 -59.96 -38.32 82.16 Favored 'General case' 0 N--CA 1.488 1.473 0 N-CA-C 108.119 -1.067 . . . . 0.0 108.119 -179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.523 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -63.97 -36.06 82.71 Favored 'General case' 0 C--N 1.301 -1.507 0 O-C-N 121.593 -0.692 . . . . 0.0 111.245 179.236 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.418 HG13 ' CE ' ' B' ' 34' ' ' LYS . 63.9 t -71.04 -55.68 13.17 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.564 0 O-C-N 120.908 -1.12 . . . . 0.0 112.105 -178.577 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 88.8 m-20 -65.93 -39.97 90.98 Favored 'General case' 0 C--N 1.293 -1.891 0 O-C-N 120.69 -1.256 . . . . 0.0 110.925 -177.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 62.9 mmtt -69.24 -40.06 78.11 Favored 'General case' 0 C--N 1.295 -1.786 0 O-C-N 121.271 -0.893 . . . . 0.0 111.029 -177.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.54 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.4 mt -78.46 -54.19 12.53 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.472 0 CA-C-O 121.753 0.787 . . . . 0.0 110.495 -176.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 10.1 tpt -59.99 -43.68 95.0 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.729 -0.607 . . . . 0.0 112.177 -177.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 42.7 mtmt -68.94 -35.87 77.29 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.859 -1.15 . . . . 0.0 110.183 -178.556 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -92.48 -25.69 18.31 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.035 -1.041 . . . . 0.0 109.702 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.576 ' C ' ' H ' ' B' ' 63' ' ' GLU . 64.4 tp -69.99 -36.25 75.03 Favored 'General case' 0 N--CA 1.491 1.594 0 N-CA-C 104.999 -2.222 . . . . 0.0 104.999 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.589 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 8.3 t70 -76.64 54.62 0.97 Allowed 'General case' 0 N--CA 1.484 1.265 0 N-CA-C 104.288 -2.486 . . . . 0.0 104.288 174.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.576 ' H ' ' C ' ' B' ' 61' ' ' LEU . 53.2 tp10 -48.65 -22.28 0.75 Allowed 'General case' 0 C--N 1.285 -2.201 0 CA-C-N 111.285 -2.689 . . . . 0.0 110.327 -177.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -85.18 0.01 53.16 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.623 -1.298 . . . . 0.0 107.806 178.586 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.464 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.23 32.0 79.07 Favored Glycine 0 N--CA 1.495 2.625 0 C-N-CA 120.821 -0.704 . . . . 0.0 111.921 177.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.583 ' N ' ' OD1' ' B' ' 62' ' ' ASP . 9.6 p-10 -97.61 -12.91 21.94 Favored 'General case' 0 N--CA 1.502 2.135 0 O-C-N 120.997 -1.296 . . . . 0.0 109.725 178.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.589 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 83.97 -5.86 77.52 Favored Glycine 0 N--CA 1.497 2.708 0 N-CA-C 110.032 -1.227 . . . . 0.0 110.032 178.657 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.544 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 97.0 mt-10 -120.26 142.94 48.6 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 107.562 -1.273 . . . . 0.0 107.562 179.269 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -101.28 131.09 49.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.01 0 CA-C-O 122.275 1.036 . . . . 0.0 111.137 -177.131 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -77.85 152.81 33.2 Favored 'General case' 0 C--N 1.302 -1.481 0 N-CA-C 107.256 -1.387 . . . . 0.0 107.256 178.559 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.55 -36.25 71.4 Favored 'General case' 0 C--N 1.297 -1.701 0 O-C-N 120.527 -1.358 . . . . 0.0 108.91 -179.165 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . . . . . . . . . 7.3 tt0 -60.05 -39.94 87.73 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.195 -0.941 . . . . 0.0 110.892 -179.302 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.7 mt-10 -68.6 -39.93 80.67 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 120.449 -1.407 . . . . 0.0 109.633 -179.155 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.465 ' C ' ' CD1' ' B' ' 74' ' ' PHE . 26.3 t80 -61.4 -39.97 92.68 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.727 -0.608 . . . . 0.0 112.439 -178.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.445 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 2.0 p -71.6 -33.84 50.5 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.852 0 O-C-N 121.131 -0.981 . . . . 0.0 110.944 -177.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 65.4 t -70.2 -59.82 3.09 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 O-C-N 121.133 -0.979 . . . . 0.0 111.977 -178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -71.18 -41.8 69.86 Favored 'General case' 0 N--CA 1.5 2.041 0 O-C-N 120.664 -1.273 . . . . 0.0 112.98 -176.589 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 18.2 t -70.12 -40.05 77.83 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.757 0 O-C-N 120.487 -1.383 . . . . 0.0 110.934 -177.731 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.445 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -73.8 -25.95 60.37 Favored 'General case' 0 C--N 1.291 -1.939 0 C-N-CA 119.574 -0.85 . . . . 0.0 108.865 179.598 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.56 -23.72 67.36 Favored 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.514 -0.742 . . . . 0.0 111.067 -179.859 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.464 HD11 HD21 ' D' ' 8' ' ' LEU . 79.0 mt -96.04 -28.98 14.37 Favored 'General case' 0 N--CA 1.497 1.9 0 O-C-N 121.002 -1.061 . . . . 0.0 109.783 179.079 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.5 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 35.3 p -61.01 -54.52 43.94 Favored 'General case' 0 N--CA 1.494 1.728 0 O-C-N 121.351 -0.843 . . . . 0.0 110.558 -178.604 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 28.3 m -81.04 -33.56 13.11 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.787 0 O-C-N 120.839 -1.163 . . . . 0.0 110.916 -179.455 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.94 -39.97 87.35 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 121.044 -1.035 . . . . 0.0 110.826 -178.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.5 ' SG ' ' O ' ' B' ' 82' ' ' THR . 23.0 p -68.87 -38.9 80.02 Favored 'General case' 0 N--CA 1.492 1.625 0 O-C-N 121.025 -1.047 . . . . 0.0 108.678 179.46 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.45 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 24.5 t-20 -59.92 -36.39 76.89 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.568 -0.708 . . . . 0.0 109.487 179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 45.6 t30 -60.09 -40.38 89.4 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.376 -0.828 . . . . 0.0 110.566 -179.18 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 75.8 m-85 -66.1 -39.47 90.0 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.716 -1.24 . . . . 0.0 109.827 -179.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.45 ' CD2' ' O ' ' B' ' 86' ' ' ASN . 56.9 m-85 53.81 99.87 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.185 -0.947 . . . . 0.0 110.052 -179.749 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.537 ' C ' ' H ' ' B' ' 92' ' ' ASN . 95.8 m95 -60.04 148.42 35.71 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.292 -0.88 . . . . 0.0 108.966 179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.495 ' O ' ' CB ' ' B' ' 92' ' ' ASN . 19.0 pt-20 -69.3 22.09 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.255 -0.903 . . . . 0.0 110.091 -179.458 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.537 ' H ' ' C ' ' B' ' 90' ' ' TRP . 36.5 t30 82.07 16.6 0.42 Allowed 'General case' 0 N--CA 1.492 1.64 0 N-CA-C 108.1 -1.074 . . . . 0.0 108.1 -179.442 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 33.9 t . . . . . 0 C--N 1.306 -1.315 0 CA-C-O 118.012 -0.994 . . . . 0.0 109.972 178.956 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm . . . . . 0 N--CA 1.492 1.636 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 22.6 mtpp -59.98 -35.94 76.09 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.396 -0.815 . . . . 0.0 109.835 179.735 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.06 -43.92 91.76 Favored 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.294 -0.879 . . . . 0.0 109.504 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 53.0 t -60.13 -47.63 91.24 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 O-C-N 121.055 -1.028 . . . . 0.0 108.246 179.137 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.552 ' HE1' ' CD2' ' A' ' 81' ' ' LEU . 0.0 OUTLIER -60.4 -39.98 89.31 Favored 'General case' 0 N--CA 1.489 1.477 0 O-C-N 121.49 -0.756 . . . . 0.0 109.232 179.551 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . 0.426 ' O ' ' CB ' ' C' ' 10' ' ' SER . 82.6 t60 -60.0 -41.85 93.01 Favored 'General case' 0 C--N 1.303 -1.433 0 O-C-N 121.045 -1.034 . . . . 0.0 109.362 -179.432 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 10.4 tmtt? -60.07 -49.92 75.74 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.142 -0.974 . . . . 0.0 110.246 179.887 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.621 HD11 HE21 ' C' ' 12' ' ' GLN . 59.6 tp -63.92 -50.05 70.21 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.104 -0.998 . . . . 0.0 110.314 -179.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.519 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.9 mp -69.98 -39.96 75.64 Favored 'General case' 0 C--N 1.299 -1.622 0 O-C-N 121.247 -0.908 . . . . 0.0 110.63 -179.816 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . 0.426 ' CB ' ' O ' ' C' ' 6' ' ' HIS . 44.2 t -60.67 -44.59 96.28 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.959 -1.088 . . . . 0.0 109.532 -179.619 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 67.8 mmtt -68.67 -39.96 80.36 Favored 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.284 -0.885 . . . . 0.0 109.064 179.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.621 HE21 HD11 ' C' ' 8' ' ' LEU . 5.9 pt20 . . . . . 0 N--CA 1.496 1.833 0 CA-C-O 118.145 -0.931 . . . . 0.0 109.425 179.373 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 45.3 mmtm . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.192 -0.67 . . . . 0.0 109.192 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 23.7 mtpp -60.08 -35.93 76.26 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.31 -0.869 . . . . 0.0 109.723 179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -58.92 -43.93 91.2 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.057 -1.027 . . . . 0.0 109.452 -179.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 53.6 t -60.21 -47.48 91.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.544 0 O-C-N 120.935 -1.103 . . . . 0.0 108.293 179.166 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . 0.553 ' HE1' ' CD2' ' B' ' 81' ' ' LEU . 0.0 OUTLIER -60.63 -39.93 90.06 Favored 'General case' 0 N--CA 1.489 1.515 0 O-C-N 121.468 -0.77 . . . . 0.0 109.199 179.511 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . 0.419 ' O ' ' CB ' ' D' ' 10' ' ' SER . 83.2 t60 -60.0 -41.88 93.06 Favored 'General case' 0 C--N 1.301 -1.504 0 O-C-N 121.05 -1.031 . . . . 0.0 109.417 -179.504 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 9.7 tmtt? -59.98 -49.98 75.54 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.032 -1.043 . . . . 0.0 110.225 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.61 HD11 HE21 ' D' ' 12' ' ' GLN . 61.1 tp -63.89 -49.95 70.67 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.029 -1.044 . . . . 0.0 110.312 -179.26 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 3.4 mp -70.04 -39.96 75.43 Favored 'General case' 0 N--CA 1.491 1.587 0 O-C-N 121.282 -0.886 . . . . 0.0 110.65 -179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . 0.419 ' CB ' ' O ' ' D' ' 6' ' ' HIS . 45.1 t -60.64 -44.55 96.24 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.936 -1.102 . . . . 0.0 109.498 -179.643 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 68.0 mmtt -68.65 -39.93 80.46 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.302 -0.874 . . . . 0.0 109.0 179.682 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.61 HE21 HD11 ' D' ' 8' ' ' LEU . 6.1 pt20 . . . . . 0 N--CA 1.496 1.845 0 CA-C-O 118.141 -0.933 . . . . 0.0 109.444 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.899 0 N-CA-C 119.239 2.456 . . . . 0.0 119.239 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.0 p -108.15 -0.44 21.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.461 -1.023 . . . . 0.0 109.24 178.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.42 ' OE1' ' N ' ' A' ' 3' ' ' GLU . 57.6 mp0 -64.07 -53.06 55.78 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.311 -0.868 . . . . 0.0 110.469 -178.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.458 HD13 HD23 ' B' ' 11' ' ' LEU . 15.4 tp -59.63 -39.04 83.03 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.461 -0.774 . . . . 0.0 110.476 -176.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 86.4 tt0 -54.92 -48.81 72.61 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 121.105 -0.997 . . . . 0.0 109.199 178.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 39.9 p -64.35 -33.81 76.71 Favored 'General case' 0 C--N 1.301 -1.514 0 O-C-N 121.757 -0.589 . . . . 0.0 110.623 -179.494 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.601 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -54.77 -49.48 70.8 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.439 -0.788 . . . . 0.0 110.379 -177.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.446 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 12.6 ttt -59.89 -39.75 86.4 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 120.592 -1.317 . . . . 0.0 109.269 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 15.5 tm-20 -60.51 -39.91 89.49 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.464 -0.773 . . . . 0.0 110.329 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.57 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 23.1 p -70.59 -46.39 63.52 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 121.642 -0.661 . . . . 0.0 111.914 -177.477 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.422 HD23 HD13 ' B' ' 4' ' ' LEU . 69.5 mt -60.03 -40.07 88.1 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 121.388 -0.82 . . . . 0.0 110.873 -178.689 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 62.0 mt -82.08 -29.83 9.75 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.675 0 O-C-N 121.426 -0.796 . . . . 0.0 111.567 -177.764 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -61.55 -39.99 93.1 Favored 'General case' 0 C--N 1.294 -1.813 0 O-C-N 120.381 -1.449 . . . . 0.0 108.605 179.275 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.421 HG23 ' N ' ' A' ' 15' ' ' PHE . 33.1 m -82.06 -36.81 14.32 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.704 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.379 -179.111 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.421 ' N ' HG23 ' A' ' 14' ' ' VAL . 55.8 t80 -59.92 -50.23 74.56 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.177 -0.952 . . . . 0.0 111.133 -178.817 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -74.99 -24.16 58.38 Favored 'General case' 0 C--N 1.302 -1.496 0 O-C-N 121.726 -0.609 . . . . 0.0 110.766 -178.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.97 -59.39 2.81 Favored 'General case' 0 N--CA 1.486 1.348 0 O-C-N 120.787 -1.195 . . . . 0.0 110.98 -178.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.52 -39.96 77.22 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 120.377 -1.452 . . . . 0.0 111.318 -177.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.15 -16.5 64.36 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 120.973 -1.08 . . . . 0.0 111.477 -179.216 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.14 12.0 70.77 Favored Glycine 0 N--CA 1.493 2.439 0 N-CA-C 110.493 -1.043 . . . . 0.0 110.493 -178.085 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 32.7 mmtp -85.95 -63.64 1.29 Allowed 'General case' 0 N--CA 1.49 1.527 0 O-C-N 120.657 -1.496 . . . . 0.0 107.28 178.364 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 90.2 mt-10 -119.0 84.23 2.16 Favored 'General case' 0 N--CA 1.49 1.573 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -160.62 178.53 36.59 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.16 -1.495 . . . . 0.0 111.03 -179.133 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 86.9 m-20 -99.24 -41.59 7.41 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.082 0.944 . . . . 0.0 109.17 -179.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -170.0 92.54 0.22 Allowed 'General case' 0 C--N 1.296 -1.73 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 7.9 m-85 43.72 25.96 0.11 Allowed 'General case' 0 C--N 1.289 -2.05 0 CA-C-N 115.661 -0.699 . . . . 0.0 111.066 179.096 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 tppt? -94.47 141.56 28.45 Favored 'General case' 0 N--CA 1.496 1.874 0 N-CA-C 106.092 -1.818 . . . . 0.0 106.092 177.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.511 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 2.4 mm? -97.79 158.6 15.42 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.834 -1.167 . . . . 0.0 110.591 -178.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.582 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 29.0 t -130.75 163.82 26.45 Favored 'General case' 0 C--N 1.293 -1.861 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 179.137 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 48.4 tttm -46.89 -39.93 13.11 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.099 -1.001 . . . . 0.0 110.793 -179.358 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 59.5 tttm -81.66 -26.26 34.9 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.569 -1.332 . . . . 0.0 112.365 -179.091 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.582 ' HB2' ' H ' ' A' ' 29' ' ' SER . 35.9 mt-10 -76.79 -31.42 56.98 Favored 'General case' 0 N--CA 1.497 1.892 0 O-C-N 120.355 -1.465 . . . . 0.0 110.275 -179.468 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 pp -83.47 -34.15 25.45 Favored 'General case' 0 N--CA 1.497 1.88 0 O-C-N 121.017 -1.052 . . . . 0.0 110.228 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 73.5 tttt -61.78 -40.98 97.09 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.025 -1.047 . . . . 0.0 110.23 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 94.6 m-20 -78.28 -31.45 48.98 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.197 -0.94 . . . . 0.0 110.144 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 47.9 tp -64.53 -39.81 94.44 Favored 'General case' 0 C--N 1.295 -1.791 0 O-C-N 121.419 -0.801 . . . . 0.0 112.642 -178.824 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 63.0 mt -82.94 -39.02 21.98 Favored 'General case' 0 N--CA 1.503 2.207 0 O-C-N 120.859 -1.15 . . . . 0.0 112.657 -177.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.457 ' CG ' ' N ' ' A' ' 39' ' ' THR . 13.3 pt20 -67.51 -40.0 85.14 Favored 'General case' 0 C--N 1.297 -1.705 0 O-C-N 120.82 -1.175 . . . . 0.0 110.339 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.457 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 20.9 m -81.89 -65.12 1.05 Allowed 'General case' 0 C--N 1.306 -1.302 0 CA-C-O 121.724 0.773 . . . . 0.0 112.161 -176.351 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 80.9 mm-40 -69.97 -40.68 75.24 Favored 'General case' 0 N--CA 1.489 1.48 0 N-CA-C 112.893 0.701 . . . . 0.0 112.893 -176.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.92 34.57 2.25 Favored 'General case' 0 N--CA 1.511 2.576 0 O-C-N 120.802 -1.186 . . . . 0.0 110.493 -178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.558 ' O ' ' CB ' ' A' ' 43' ' ' SER . 43.2 m -50.8 133.73 25.98 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.36 -1.348 . . . . 0.0 107.36 176.885 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.558 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.4 OUTLIER 157.19 -47.66 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 CA-C-N 119.068 0.849 . . . . 0.0 110.679 179.275 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.558 ' CD1' ' SG ' ' A' ' 85' ' ' CYS . 67.4 t80 -160.96 -34.78 0.05 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 120.806 -1.184 . . . . 0.0 110.76 -179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.56 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.8 mm? -58.91 129.51 42.51 Favored 'General case' 0 N--CA 1.487 1.423 0 N-CA-C 107.185 -1.413 . . . . 0.0 107.185 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -111.14 144.34 40.43 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.822 -1.174 . . . . 0.0 108.484 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 1.9 m -152.43 -30.26 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.504 0 N-CA-C 108.156 -1.053 . . . . 0.0 108.156 178.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.434 ' NE2' ' OE1' ' A' ' 38' ' ' GLN . 69.0 mm-40 -80.01 -69.99 0.55 Allowed 'General case' 0 N--CA 1.491 1.619 0 O-C-N 120.864 -1.147 . . . . 0.0 111.338 -178.339 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 51.0 pttt -60.86 -31.13 70.59 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.2 -0.938 . . . . 0.0 110.983 -178.417 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.0 m-20 -94.32 91.35 6.66 Favored 'General case' 0 N--CA 1.495 1.791 0 O-C-N 120.928 -1.108 . . . . 0.0 109.739 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.72 -38.84 77.04 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.445 -0.785 . . . . 0.0 109.344 179.608 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -59.99 -39.47 85.84 Favored 'General case' 0 C--N 1.304 -1.376 0 N-CA-C 108.615 -0.883 . . . . 0.0 108.615 179.746 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -62.2 -39.89 94.24 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.518 -0.738 . . . . 0.0 111.716 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 96.9 t -69.5 -56.32 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 O-C-N 120.809 -1.182 . . . . 0.0 111.974 -177.678 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 91.6 m-20 -64.08 -40.0 95.28 Favored 'General case' 0 C--N 1.292 -1.923 0 O-C-N 120.534 -1.354 . . . . 0.0 110.723 -177.103 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 92.9 mttt -70.7 -39.97 73.13 Favored 'General case' 0 C--N 1.294 -1.816 0 O-C-N 121.225 -0.922 . . . . 0.0 111.805 -177.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.5 mt -76.98 -54.72 12.47 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.428 0 O-C-N 121.097 -1.002 . . . . 0.0 109.847 -177.702 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.425 ' SD ' ' CG2' ' A' ' 69' ' ' VAL . 5.5 tpt -60.02 -47.3 86.39 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.54 -0.725 . . . . 0.0 111.464 -178.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 88.5 tttt -66.18 -39.94 90.1 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.153 -0.967 . . . . 0.0 110.138 -178.507 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 77.9 mm-40 -87.99 -16.58 33.35 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.092 -1.005 . . . . 0.0 109.538 -179.604 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 57' ' ' ILE . 63.7 tp -85.2 -18.57 33.66 Favored 'General case' 0 N--CA 1.504 2.23 0 N-CA-C 106.578 -1.638 . . . . 0.0 106.578 179.373 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.639 ' O ' ' N ' ' A' ' 65' ' ' GLY . 17.0 t0 -91.26 45.93 1.27 Allowed 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 103.377 -2.823 . . . . 0.0 103.377 174.17 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.528 ' H ' ' C ' ' A' ' 61' ' ' LEU . 51.1 tp10 -39.71 -19.58 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.208 0 CA-C-N 111.511 -2.586 . . . . 0.0 110.53 -178.103 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.52 ' N ' ' O ' ' A' ' 62' ' ' ASP . 28.5 m120 -87.67 1.28 54.16 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 120.637 -1.289 . . . . 0.0 108.233 179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.639 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 61.18 36.02 91.74 Favored Glycine 0 N--CA 1.495 2.579 0 CA-C-N 115.892 -0.595 . . . . 0.0 111.742 178.367 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 4.0 p30 -101.61 -14.08 17.57 Favored 'General case' 0 N--CA 1.505 2.281 0 O-C-N 120.836 -1.391 . . . . 0.0 110.585 179.599 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.535 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.75 -5.04 76.82 Favored Glycine 0 N--CA 1.5 2.923 0 O-C-N 120.665 -1.272 . . . . 0.0 110.859 178.466 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.569 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 98.8 mt-10 -123.18 143.74 49.82 Favored 'General case' 0 N--CA 1.482 1.159 0 N-CA-C 107.369 -1.345 . . . . 0.0 107.369 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.425 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 62.6 t -107.72 129.04 62.43 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.748 0 O-C-N 121.223 -0.923 . . . . 0.0 110.071 -177.148 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 36.9 p-10 -80.43 166.28 21.4 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 107.82 -1.178 . . . . 0.0 107.82 179.316 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.7 p90 -59.97 -36.51 77.29 Favored 'General case' 0 C--N 1.295 -1.78 0 O-C-N 121.092 -1.005 . . . . 0.0 111.009 -179.093 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.422 ' O ' HG23 ' A' ' 76' ' ' VAL . 61.9 tt0 -61.7 -41.84 98.13 Favored 'General case' 0 N--CA 1.498 1.957 0 O-C-N 120.492 -1.38 . . . . 0.0 110.811 -178.559 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.04 -39.99 75.41 Favored 'General case' 0 N--CA 1.498 1.949 0 O-C-N 120.809 -1.182 . . . . 0.0 111.063 -179.844 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.587 ' O ' HG22 ' A' ' 78' ' ' VAL . 64.9 t80 -67.21 -39.96 86.36 Favored 'General case' 0 N--CA 1.497 1.883 0 N-CA-C 113.0 0.741 . . . . 0.0 113.0 -177.242 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.8 p -74.86 -31.82 26.63 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.891 0 O-C-N 121.37 -0.831 . . . . 0.0 111.047 -178.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.422 HG23 ' O ' ' A' ' 72' ' ' GLN . 53.9 t -70.04 -58.81 4.48 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.661 0 O-C-N 121.38 -0.825 . . . . 0.0 111.902 -177.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.6 tt -68.51 -39.91 81.06 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 120.968 -1.083 . . . . 0.0 113.107 -176.479 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.587 HG22 ' O ' ' A' ' 74' ' ' PHE . 15.2 m -66.2 -38.49 82.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 120.816 -1.178 . . . . 0.0 110.742 -178.133 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.524 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -75.11 -27.26 59.77 Favored 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.56 -0.712 . . . . 0.0 110.943 -178.853 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.11 -51.03 65.91 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 120.563 -1.336 . . . . 0.0 108.421 179.19 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.552 ' CD2' ' HE1' ' C' ' 5' ' ' TRP . 48.1 mt -65.0 -34.68 79.02 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.707 -0.62 . . . . 0.0 110.213 -179.491 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 63.2 m -60.42 -55.04 38.36 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 121.322 -0.861 . . . . 0.0 111.442 -178.051 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.431 HG11 ' CD1' ' B' ' 71' ' ' PHE . 45.4 t -73.43 -39.78 55.3 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.844 0 O-C-N 121.101 -1.0 . . . . 0.0 110.876 -179.245 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.02 -38.98 84.28 Favored 'General case' 0 C--N 1.291 -1.958 0 CA-C-O 121.383 0.611 . . . . 0.0 110.209 -178.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.558 ' SG ' ' CD1' ' A' ' 44' ' ' PHE . 52.2 t -63.06 -40.07 96.6 Favored 'General case' 0 C--N 1.301 -1.529 0 O-C-N 121.341 -0.85 . . . . 0.0 109.704 179.823 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -59.95 -40.24 88.33 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 121.303 -0.873 . . . . 0.0 110.561 -179.326 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.426 ' O ' ' CD2' ' A' ' 89' ' ' PHE . 95.2 m-20 -60.34 -41.86 94.51 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 120.94 -1.1 . . . . 0.0 110.353 -179.307 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 61.2 m-85 -70.02 -29.63 66.72 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.154 -0.966 . . . . 0.0 110.432 179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.426 ' CD2' ' O ' ' A' ' 87' ' ' ASN . 85.2 m-85 59.65 29.56 19.13 Favored 'General case' 0 N--CA 1.493 1.716 0 N-CA-C 108.348 -0.982 . . . . 0.0 108.348 -178.259 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 88.6 t90 -60.0 -40.01 87.73 Favored 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.674 -0.642 . . . . 0.0 110.557 -179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 19.9 pt-20 -57.54 -37.9 73.83 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.156 -0.965 . . . . 0.0 110.058 -178.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -93.02 -12.15 31.33 Favored 'General case' 0 N--CA 1.496 1.838 0 O-C-N 120.807 -1.183 . . . . 0.0 109.389 179.493 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.7 m . . . . . 0 N--CA 1.497 1.894 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.486 -179.417 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.909 0 N-CA-C 119.448 2.539 . . . . 0.0 119.448 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 80.3 p -108.18 -0.52 20.94 Favored 'General case' 0 N--CA 1.499 2.021 0 O-C-N 121.506 -0.997 . . . . 0.0 109.27 178.879 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.46 ' OE1' ' N ' ' B' ' 3' ' ' GLU . 57.6 mp0 -63.97 -52.73 58.29 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.325 -0.86 . . . . 0.0 110.532 -179.067 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.422 HD13 HD23 ' A' ' 11' ' ' LEU . 17.7 tp -60.0 -39.36 85.53 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.672 -0.643 . . . . 0.0 110.323 -177.075 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.2 tt0 -54.47 -49.17 70.72 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.073 -1.017 . . . . 0.0 109.269 178.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.438 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 39.8 p -64.43 -32.56 74.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.683 -0.636 . . . . 0.0 110.536 -179.399 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.57 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -55.93 -48.74 75.16 Favored 'General case' 0 C--N 1.3 -1.567 0 O-C-N 121.376 -0.828 . . . . 0.0 110.381 -176.628 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 12.2 ttt -59.97 -39.94 87.38 Favored 'General case' 0 N--CA 1.492 1.648 0 O-C-N 120.91 -1.119 . . . . 0.0 109.145 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 15.4 tm-20 -60.18 -40.06 88.67 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.552 -0.717 . . . . 0.0 110.127 179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.601 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 22.5 p -70.59 -46.46 63.38 Favored 'General case' 0 C--N 1.299 -1.588 0 O-C-N 121.541 -0.725 . . . . 0.0 111.859 -177.291 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.458 HD23 HD13 ' A' ' 4' ' ' LEU . 67.8 mt -60.05 -40.08 88.2 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.553 -0.717 . . . . 0.0 110.874 -178.479 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 63.9 mt -81.02 -32.12 12.36 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.685 0 O-C-N 121.334 -0.854 . . . . 0.0 111.102 -177.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 28.4 t-20 -60.15 -39.92 88.05 Favored 'General case' 0 C--N 1.292 -1.896 0 O-C-N 120.567 -1.333 . . . . 0.0 108.542 -179.477 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.417 HG23 ' N ' ' B' ' 15' ' ' PHE . 33.3 m -82.12 -36.75 14.2 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.611 0 CA-C-N 115.653 -0.703 . . . . 0.0 111.413 -179.146 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.417 ' N ' HG23 ' B' ' 14' ' ' VAL . 56.0 t80 -60.0 -50.35 74.07 Favored 'General case' 0 N--CA 1.496 1.849 0 O-C-N 121.152 -0.967 . . . . 0.0 111.134 -178.589 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 20.7 m80 -74.96 -24.18 58.41 Favored 'General case' 0 C--N 1.3 -1.559 0 O-C-N 121.728 -0.607 . . . . 0.0 110.623 -178.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.69 -59.74 2.65 Favored 'General case' 0 C--N 1.303 -1.425 0 O-C-N 120.841 -1.162 . . . . 0.0 111.077 -178.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 31.5 t-80 -69.31 -40.03 77.89 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 120.404 -1.435 . . . . 0.0 111.413 -177.535 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 27.7 t -67.12 -16.58 64.41 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 120.949 -1.095 . . . . 0.0 111.499 -179.206 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.29 12.27 70.06 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 110.521 -1.031 . . . . 0.0 110.521 -177.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 32.6 mmtp -86.01 -63.98 1.23 Allowed 'General case' 0 N--CA 1.489 1.501 0 O-C-N 120.772 -1.428 . . . . 0.0 107.269 178.08 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 89.9 mt-10 -118.97 84.7 2.24 Favored 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 107.813 -1.18 . . . . 0.0 107.813 179.115 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -161.14 178.24 37.16 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.106 -1.521 . . . . 0.0 110.977 -179.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -98.89 -41.57 7.55 Favored 'General case' 0 N--CA 1.492 1.634 0 CA-C-O 122.009 0.909 . . . . 0.0 109.288 -179.621 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 34.2 ttmt -170.0 92.77 0.22 Allowed 'General case' 0 C--N 1.295 -1.768 0 N-CA-C 107.98 -1.119 . . . . 0.0 107.98 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 43.45 26.0 0.09 Allowed 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.748 -0.66 . . . . 0.0 111.189 179.109 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.4 ' C ' HD22 ' B' ' 28' ' ' LEU . 6.2 tppt? -94.29 141.55 28.44 Favored 'General case' 0 N--CA 1.497 1.92 0 N-CA-C 106.158 -1.793 . . . . 0.0 106.158 177.228 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.503 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 2.4 mm? -97.85 158.16 15.68 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 120.743 -1.223 . . . . 0.0 110.708 -178.186 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.583 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.0 t -130.33 163.72 26.22 Favored 'General case' 0 C--N 1.293 -1.854 0 N-CA-C 107.203 -1.406 . . . . 0.0 107.203 179.15 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 47.8 tttm -46.92 -39.96 13.28 Favored 'General case' 0 C--N 1.295 -1.772 0 O-C-N 121.052 -1.03 . . . . 0.0 110.707 -179.382 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -81.64 -26.16 35.04 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 120.659 -1.275 . . . . 0.0 112.232 -179.047 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.583 ' HB2' ' H ' ' B' ' 29' ' ' SER . 36.0 mt-10 -76.91 -31.51 56.76 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.222 -1.549 . . . . 0.0 110.296 -179.531 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.1 pp -83.32 -33.76 25.83 Favored 'General case' 0 N--CA 1.496 1.847 0 O-C-N 120.926 -1.109 . . . . 0.0 110.306 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 74.9 tttt -62.37 -41.06 98.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.064 -1.022 . . . . 0.0 110.071 -179.686 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -78.12 -31.37 49.91 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 121.216 -0.927 . . . . 0.0 110.137 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 48.7 tp -64.86 -39.3 93.33 Favored 'General case' 0 C--N 1.294 -1.832 0 O-C-N 121.453 -0.78 . . . . 0.0 112.693 -178.757 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 59.1 mt -83.25 -39.27 21.11 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 120.789 -1.194 . . . . 0.0 112.552 -178.078 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.453 ' CG ' ' N ' ' B' ' 39' ' ' THR . 12.7 pt20 -67.23 -40.01 86.28 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 120.773 -1.204 . . . . 0.0 110.338 -178.158 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.453 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 20.3 m -81.82 -65.12 1.05 Allowed 'General case' 0 C--N 1.307 -1.272 0 CA-C-O 121.774 0.797 . . . . 0.0 112.152 -176.354 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -70.01 -40.47 75.22 Favored 'General case' 0 N--CA 1.488 1.457 0 N-CA-C 112.885 0.698 . . . . 0.0 112.885 -176.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.98 34.24 2.36 Favored 'General case' 0 N--CA 1.51 2.537 0 O-C-N 120.778 -1.201 . . . . 0.0 110.406 -178.205 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.56 ' O ' ' CB ' ' B' ' 43' ' ' SER . 53.3 m -50.77 133.95 25.61 Favored 'General case' 0 N--CA 1.486 1.363 0 N-CA-C 107.38 -1.341 . . . . 0.0 107.38 176.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.56 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.4 OUTLIER 156.84 -48.18 0.0 OUTLIER 'General case' 0 N--CA 1.506 2.343 0 CA-C-N 119.077 0.853 . . . . 0.0 110.641 179.385 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.555 ' CE1' ' SG ' ' B' ' 85' ' ' CYS . 68.5 t80 -160.16 -35.2 0.05 Allowed 'General case' 0 N--CA 1.49 1.53 0 O-C-N 120.737 -1.227 . . . . 0.0 110.686 -179.215 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.567 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.7 mm? -58.55 129.13 40.59 Favored 'General case' 0 N--CA 1.487 1.4 0 N-CA-C 107.343 -1.355 . . . . 0.0 107.343 -179.591 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -110.87 144.3 40.12 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 120.805 -1.184 . . . . 0.0 108.521 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.47 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 1.6 m -152.42 -30.18 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.505 0 N-CA-C 108.175 -1.046 . . . . 0.0 108.175 178.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.44 ' NE2' ' OE1' ' B' ' 38' ' ' GLN . 67.8 mm-40 -79.98 -70.02 0.55 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 120.803 -1.186 . . . . 0.0 111.39 -178.334 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 54.9 pttt -60.73 -31.29 70.6 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.253 -0.905 . . . . 0.0 111.018 -178.47 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -94.19 91.46 6.78 Favored 'General case' 0 N--CA 1.496 1.855 0 O-C-N 120.906 -1.121 . . . . 0.0 109.623 -179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.95 -38.62 76.2 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.447 -0.783 . . . . 0.0 109.308 179.538 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -59.95 -38.9 83.81 Favored 'General case' 0 C--N 1.304 -1.386 0 O-C-N 121.257 -0.902 . . . . 0.0 108.67 -179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.66 -37.23 86.57 Favored 'General case' 0 C--N 1.301 -1.539 0 O-C-N 121.531 -0.731 . . . . 0.0 112.078 -179.773 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.47 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 99.5 t -71.25 -56.71 9.6 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 120.79 -1.194 . . . . 0.0 111.72 -178.765 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 90.9 m-20 -63.71 -40.06 95.83 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 120.651 -1.281 . . . . 0.0 110.817 -177.02 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 94.2 mttt -70.94 -39.95 72.32 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.174 -0.954 . . . . 0.0 111.633 -177.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.523 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.6 mt -76.81 -54.73 12.56 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.392 0 O-C-N 121.068 -1.02 . . . . 0.0 109.762 -177.707 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.431 ' SD ' ' CG2' ' B' ' 69' ' ' VAL . 5.2 tpt -59.95 -47.31 86.33 Favored 'General case' 0 C--N 1.296 -1.728 0 O-C-N 121.701 -0.624 . . . . 0.0 111.468 -178.543 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -66.44 -39.98 89.21 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 121.026 -1.046 . . . . 0.0 110.166 -178.505 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 78.5 mm-40 -87.54 -16.84 33.49 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 121.204 -0.935 . . . . 0.0 109.523 -179.756 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.523 ' N ' ' O ' ' B' ' 57' ' ' ILE . 61.4 tp -85.34 -18.38 33.99 Favored 'General case' 0 N--CA 1.504 2.243 0 N-CA-C 106.587 -1.634 . . . . 0.0 106.587 179.508 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.601 ' O ' ' N ' ' B' ' 65' ' ' GLY . 17.0 t0 -91.35 45.81 1.26 Allowed 'General case' 0 N--CA 1.491 1.582 0 N-CA-C 103.343 -2.836 . . . . 0.0 103.343 174.239 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.521 ' H ' ' C ' ' B' ' 61' ' ' LEU . 51.2 tp10 -39.68 -19.53 0.01 OUTLIER 'General case' 0 C--N 1.285 -2.216 0 CA-C-N 111.602 -2.545 . . . . 0.0 110.511 -178.125 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.521 ' N ' ' O ' ' B' ' 62' ' ' ASP . 28.2 m120 -87.42 0.9 54.82 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.691 -1.256 . . . . 0.0 108.245 179.114 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.601 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 62.02 34.71 89.82 Favored Glycine 0 N--CA 1.493 2.492 0 CA-C-N 115.994 -0.548 . . . . 0.0 111.871 178.34 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.488 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 4.0 p30 -100.97 -13.56 18.24 Favored 'General case' 0 N--CA 1.507 2.39 0 O-C-N 120.876 -1.367 . . . . 0.0 110.645 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.536 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.26 -4.81 75.24 Favored Glycine 0 N--CA 1.498 2.806 0 O-C-N 120.61 -1.306 . . . . 0.0 110.807 178.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.577 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 98.5 mt-10 -123.29 143.45 50.06 Favored 'General case' 0 N--CA 1.484 1.274 0 N-CA-C 107.32 -1.363 . . . . 0.0 107.32 179.024 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.431 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 63.2 t -106.85 128.84 61.3 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.866 0 O-C-N 121.174 -0.954 . . . . 0.0 110.23 -177.179 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 36.7 p-10 -80.29 166.45 21.34 Favored 'General case' 0 C--N 1.303 -1.453 0 N-CA-C 107.884 -1.154 . . . . 0.0 107.884 179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.431 ' CD1' HG11 ' A' ' 83' ' ' VAL . 47.2 p90 -60.05 -36.51 77.47 Favored 'General case' 0 C--N 1.294 -1.818 0 O-C-N 121.042 -1.036 . . . . 0.0 110.969 -179.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.423 ' O ' HG23 ' B' ' 76' ' ' VAL . 60.7 tt0 -61.8 -41.59 97.93 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.444 -1.41 . . . . 0.0 110.815 -178.443 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 95.7 mt-10 -70.25 -39.93 74.73 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.798 -1.189 . . . . 0.0 111.047 -179.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.588 ' O ' HG22 ' B' ' 78' ' ' VAL . 64.8 t80 -67.05 -40.09 87.07 Favored 'General case' 0 N--CA 1.497 1.919 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 -177.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.3 p -74.93 -31.86 26.35 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.861 0 O-C-N 121.412 -0.805 . . . . 0.0 111.178 -178.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . 0.423 HG23 ' O ' ' B' ' 72' ' ' GLN . 53.5 t -69.85 -58.77 4.62 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.472 -0.767 . . . . 0.0 112.107 -177.886 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.7 tt -68.55 -40.02 80.85 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.921 -1.112 . . . . 0.0 112.903 -176.432 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.588 HG22 ' O ' ' B' ' 74' ' ' PHE . 14.3 m -66.3 -38.13 81.19 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.768 0 O-C-N 120.651 -1.281 . . . . 0.0 110.674 -177.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.509 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -75.47 -26.79 58.52 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.575 -0.703 . . . . 0.0 111.042 -178.814 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.47 -55.69 22.11 Favored 'General case' 0 N--CA 1.496 1.864 0 N-CA-C 107.194 -1.41 . . . . 0.0 107.194 178.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.553 ' CD2' ' HE1' ' D' ' 5' ' ' TRP . 52.1 mt -60.11 -35.61 75.62 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.229 0.538 . . . . 0.0 110.29 -178.588 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.446 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 61.8 m -60.49 -54.92 39.67 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.983 -1.073 . . . . 0.0 111.551 -178.034 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.407 HG11 ' CD1' ' A' ' 71' ' ' PHE . 42.4 t -73.64 -39.37 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.909 0 O-C-N 121.115 -0.991 . . . . 0.0 110.99 -179.1 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -60.05 -39.22 85.19 Favored 'General case' 0 C--N 1.289 -2.064 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.103 -178.187 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.555 ' SG ' ' CE1' ' B' ' 44' ' ' PHE . 52.3 t -62.92 -40.03 96.37 Favored 'General case' 0 C--N 1.301 -1.519 0 O-C-N 121.438 -0.789 . . . . 0.0 109.69 179.746 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 11.7 t-20 -60.06 -40.19 88.64 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 121.313 -0.867 . . . . 0.0 110.537 -179.113 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.427 ' O ' ' CD2' ' B' ' 89' ' ' PHE . 95.0 m-20 -60.26 -42.16 94.74 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 120.962 -1.086 . . . . 0.0 110.296 -179.294 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 60.7 m-85 -69.95 -29.74 66.94 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.185 -0.947 . . . . 0.0 110.366 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.427 ' CD2' ' O ' ' B' ' 87' ' ' ASN . 85.1 m-85 59.78 29.51 19.08 Favored 'General case' 0 N--CA 1.493 1.72 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 -178.463 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 88.8 t90 -60.06 -39.98 87.86 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.685 -0.634 . . . . 0.0 110.495 -179.835 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -57.43 -37.8 73.36 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.133 -0.979 . . . . 0.0 110.116 -178.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 28.6 t-20 -93.22 -12.31 30.54 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.894 -1.129 . . . . 0.0 109.278 179.448 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 58.9 m . . . . . 0 N--CA 1.497 1.891 0 CA-C-O 118.115 -0.945 . . . . 0.0 109.555 -179.493 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.49 1.533 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 70.9 mttt -60.12 -48.17 82.83 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.143 -0.973 . . . . 0.0 109.535 -179.486 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.83 -41.75 91.4 Favored 'General case' 0 N--CA 1.49 1.532 0 O-C-N 121.627 -0.67 . . . . 0.0 110.021 -179.196 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.8 t -62.21 -39.98 85.99 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.605 0 O-C-N 121.316 -0.865 . . . . 0.0 109.091 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -67.89 -31.52 71.37 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.263 -0.898 . . . . 0.0 110.355 -178.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t-80 -59.99 -42.69 94.75 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.294 -0.879 . . . . 0.0 111.616 -178.113 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.563 ' CE ' ' HZ2' ' A' ' 56' ' ' LYS . 0.0 OUTLIER -61.47 -40.16 93.51 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.592 -1.317 . . . . 0.0 111.024 -178.746 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.524 ' O ' ' N ' ' C' ' 12' ' ' GLN . 62.9 tp -60.35 -50.3 74.17 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 120.712 -1.243 . . . . 0.0 110.581 -179.048 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' C' ' 9' ' ' LEU . 3.3 mp -63.86 -39.99 95.49 Favored 'General case' 0 C--N 1.295 -1.767 0 N-CA-C 108.848 -0.797 . . . . 0.0 108.848 -179.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 80.4 p -73.98 -20.61 60.29 Favored 'General case' 0 C--N 1.302 -1.49 0 O-C-N 121.21 -0.931 . . . . 0.0 108.534 178.112 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.417 ' N ' ' O ' ' C' ' 7' ' ' LYS . 6.7 tppt? -132.18 48.35 2.42 Favored 'General case' 0 N--CA 1.501 2.119 0 O-C-N 121.362 -0.837 . . . . 0.0 109.501 179.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.524 ' N ' ' O ' ' C' ' 8' ' ' LEU . 99.0 mt-30 . . . . . 0 N--CA 1.495 1.807 0 O-C-N 121.044 -1.035 . . . . 0.0 109.722 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.642 -0.503 . . . . 0.0 109.642 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 71.8 mttt -59.97 -48.45 81.63 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 121.1 -1.0 . . . . 0.0 109.583 -179.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.92 -41.76 90.98 Favored 'General case' 0 N--CA 1.489 1.516 0 O-C-N 121.556 -0.715 . . . . 0.0 109.877 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.6 t -61.92 -40.06 85.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.555 0 O-C-N 121.476 -0.765 . . . . 0.0 109.303 179.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -68.0 -31.01 70.41 Favored 'General case' 0 C--N 1.296 -1.738 0 O-C-N 121.173 -0.954 . . . . 0.0 110.337 -179.012 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 55.6 t-80 -60.1 -43.42 95.59 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.195 -0.94 . . . . 0.0 111.618 -178.098 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.492 ' CE ' ' HZ2' ' B' ' 56' ' ' LYS . 0.0 OUTLIER -61.49 -40.02 93.03 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 120.627 -1.295 . . . . 0.0 111.1 -178.513 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.527 ' O ' ' N ' ' D' ' 12' ' ' GLN . 60.0 tp -60.36 -50.1 74.94 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.753 -1.217 . . . . 0.0 110.307 -179.016 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.486 ' N ' ' CD1' ' D' ' 9' ' ' LEU . 2.9 mp -63.9 -39.81 95.05 Favored 'General case' 0 C--N 1.292 -1.899 0 O-C-N 121.301 -0.875 . . . . 0.0 108.912 -179.512 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 78.3 p -74.39 -20.49 60.04 Favored 'General case' 0 C--N 1.301 -1.543 0 O-C-N 121.115 -0.99 . . . . 0.0 108.386 178.214 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.432 ' N ' ' O ' ' D' ' 7' ' ' LYS . 7.1 tppt? -132.1 48.34 2.43 Favored 'General case' 0 N--CA 1.503 2.196 0 O-C-N 121.428 -0.795 . . . . 0.0 109.586 179.772 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.527 ' N ' ' O ' ' D' ' 8' ' ' LEU . 98.2 mt-30 . . . . . 0 N--CA 1.494 1.747 0 O-C-N 121.139 -0.975 . . . . 0.0 109.751 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.954 0 N-CA-C 119.323 2.489 . . . . 0.0 119.323 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.9 m -107.03 4.91 27.55 Favored 'General case' 0 N--CA 1.498 1.926 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 178.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 49.9 mt-10 -61.32 -53.91 50.6 Favored 'General case' 0 N--CA 1.488 1.472 0 O-C-N 121.73 -0.607 . . . . 0.0 110.362 -179.515 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.526 HD12 ' HB2' ' B' ' 40' ' ' GLU . 91.8 mt -59.91 -39.63 86.09 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.212 -0.93 . . . . 0.0 110.056 -178.375 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -53.47 -40.83 65.6 Favored 'General case' 0 C--N 1.295 -1.787 0 O-C-N 120.744 -1.223 . . . . 0.0 108.031 179.738 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.789 HG22 HG21 ' B' ' 10' ' ' THR . 0.4 OUTLIER -72.2 -30.47 64.98 Favored 'General case' 0 C--N 1.296 -1.736 0 N-CA-C 108.7 -0.852 . . . . 0.0 108.7 178.812 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -56.9 -53.14 61.34 Favored 'General case' 0 N--CA 1.499 2.001 0 O-C-N 121.14 -0.975 . . . . 0.0 110.039 -177.433 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.35 -40.15 93.22 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.24 -0.912 . . . . 0.0 111.143 -179.549 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 99.0 mt-10 -62.58 -39.53 93.99 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.347 -0.846 . . . . 0.0 110.122 -179.094 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.779 HG21 HG22 ' B' ' 6' ' ' THR . 17.4 p -69.66 -45.49 68.25 Favored 'General case' 0 C--N 1.294 -1.828 0 O-C-N 121.73 -0.607 . . . . 0.0 111.108 -178.515 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 83.5 mt -60.54 -40.16 90.52 Favored 'General case' 0 N--CA 1.498 1.958 0 O-C-N 121.627 -0.671 . . . . 0.0 111.972 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.6 mt -84.39 -32.18 7.95 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.87 0 O-C-N 120.819 -1.175 . . . . 0.0 112.172 -176.832 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -61.67 -39.88 92.98 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.26 -1.525 . . . . 0.0 109.17 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.439 HG21 HD21 ' B' ' 4' ' ' LEU . 33.9 m -75.46 -34.82 30.83 Favored 'Isoleucine or valine' 0 C--N 1.293 -1.88 0 CA-C-N 115.377 -0.829 . . . . 0.0 110.624 -179.418 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 14.1 t80 -60.17 -54.83 41.17 Favored 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.055 -1.028 . . . . 0.0 111.074 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -73.18 -23.92 60.49 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.607 -0.683 . . . . 0.0 112.279 -177.181 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.64 -60.16 2.38 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 120.394 -1.441 . . . . 0.0 111.493 -177.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 47.1 t-80 -76.31 -38.52 55.92 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.452 -1.405 . . . . 0.0 112.312 -177.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 52.4 p -62.32 -21.26 65.13 Favored 'General case' 0 N--CA 1.499 1.986 0 O-C-N 120.945 -1.097 . . . . 0.0 112.551 -178.269 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.69 19.18 42.36 Favored Glycine 0 N--CA 1.503 3.141 0 N-CA-C 110.28 -1.128 . . . . 0.0 110.28 -178.336 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -76.15 -47.14 25.4 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.879 -1.365 . . . . 0.0 109.253 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -144.79 18.69 1.64 Allowed 'General case' 0 N--CA 1.5 2.029 0 O-C-N 121.258 -0.901 . . . . 0.0 109.927 179.588 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.58 -159.69 24.88 Favored Glycine 0 N--CA 1.504 3.185 0 O-C-N 121.271 -0.893 . . . . 0.0 110.879 -179.029 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.535 ' O ' ' C ' ' A' ' 25' ' ' LYS . 95.2 m-20 -94.09 167.37 11.62 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.737 -0.861 . . . . 0.0 109.21 179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.535 ' C ' ' O ' ' A' ' 24' ' ' ASP . 34.6 ttpt -14.01 -100.74 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.541 0 C-N-CA 122.731 0.413 . . . . 0.0 111.352 -179.413 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -127.17 81.69 2.04 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.696 -1.252 . . . . 0.0 110.317 179.204 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.445 ' HZ3' ' HB2' ' A' ' 27' ' ' LYS . 11.8 ttmm -142.66 143.16 32.23 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 107.06 -1.459 . . . . 0.0 107.06 177.663 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.408 ' HA ' HD12 ' A' ' 28' ' ' LEU . 8.6 tp -91.59 154.88 18.75 Favored 'General case' 0 N--CA 1.487 1.383 0 O-C-N 120.95 -1.094 . . . . 0.0 108.406 -179.372 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.485 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 38.2 t -129.44 164.08 24.45 Favored 'General case' 0 N--CA 1.499 1.979 0 O-C-N 121.395 -0.816 . . . . 0.0 109.658 -178.359 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 33.1 ttmt -52.58 -47.05 67.12 Favored 'General case' 0 N--CA 1.492 1.649 0 C-N-CA 118.588 -1.245 . . . . 0.0 110.175 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 57.3 tttp -73.59 -35.04 65.37 Favored 'General case' 0 N--CA 1.499 1.984 0 O-C-N 120.975 -1.078 . . . . 0.0 111.368 -178.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.485 ' HB2' ' H ' ' A' ' 29' ' ' SER . 95.5 mt-10 -70.39 -31.91 69.33 Favored 'General case' 0 C--N 1.297 -1.676 0 O-C-N 121.352 -0.843 . . . . 0.0 110.359 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.68 ' O ' HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -82.08 -33.23 29.91 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.386 -0.821 . . . . 0.0 110.466 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 84.0 tttt -60.17 -43.99 95.4 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.161 -0.962 . . . . 0.0 110.904 -179.064 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 98.2 m-20 -82.65 -27.36 31.4 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.108 -0.995 . . . . 0.0 111.186 -179.169 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.8 tp -69.7 -40.48 76.28 Favored 'General case' 0 N--CA 1.493 1.709 0 O-C-N 121.294 -0.879 . . . . 0.0 112.085 -177.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.721 HD23 ' H ' ' A' ' 38' ' ' GLN . 1.1 pt? -83.88 -39.96 19.22 Favored 'General case' 0 C--N 1.294 -1.836 0 O-C-N 121.323 -0.86 . . . . 0.0 111.944 -177.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.721 ' H ' HD23 ' A' ' 37' ' ' LEU . 1.7 pp0? -66.54 -38.4 87.07 Favored 'General case' 0 N--CA 1.487 1.412 0 O-C-N 120.606 -1.309 . . . . 0.0 110.205 -179.025 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.539 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 94.3 m -66.09 -42.67 89.0 Favored 'General case' 0 C--N 1.304 -1.399 0 CA-C-N 115.511 -0.768 . . . . 0.0 112.171 -177.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.577 ' HB2' HD12 ' B' ' 4' ' ' LEU . 7.7 mt-10 -100.75 -19.66 15.92 Favored 'General case' 0 N--CA 1.499 1.996 0 O-C-N 120.706 -1.246 . . . . 0.0 111.068 -178.48 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.4 mt -122.12 73.86 1.12 Allowed 'General case' 0 N--CA 1.507 2.407 0 O-C-N 121.065 -1.022 . . . . 0.0 109.007 178.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.416 ' O ' ' CB ' ' A' ' 43' ' ' SER . 73.2 p -85.64 141.0 30.09 Favored 'General case' 0 C--N 1.305 -1.334 0 CA-C-O 121.424 0.631 . . . . 0.0 109.435 179.453 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.416 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.6 OUTLIER 73.75 -3.14 2.57 Favored 'General case' 0 C--N 1.296 -1.735 0 O-C-N 121.373 -0.83 . . . . 0.0 111.007 179.25 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 98.2 m-85 -109.76 -61.14 1.69 Allowed 'General case' 0 N--CA 1.499 2.013 0 N-CA-C 107.371 -1.344 . . . . 0.0 107.371 178.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.464 HD21 HD21 ' A' ' 81' ' ' LEU . 1.9 mm? -103.29 136.84 42.31 Favored 'General case' 0 N--CA 1.493 1.678 0 N-CA-C 107.567 -1.271 . . . . 0.0 107.567 178.483 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.514 ' N ' ' OD1' ' A' ' 46' ' ' ASP . 15.9 p-10 -118.79 150.52 39.66 Favored 'General case' 0 N--CA 1.498 1.966 0 O-C-N 121.076 -1.015 . . . . 0.0 108.868 -179.893 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.656 HG11 HD21 ' A' ' 37' ' ' LEU . 10.8 m -154.27 -38.32 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.488 1.47 0 N-CA-C 108.071 -1.085 . . . . 0.0 108.071 178.721 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.512 ' N ' HG23 ' A' ' 47' ' ' VAL . 23.8 mt-30 -70.21 -52.04 26.33 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 116.003 -0.544 . . . . 0.0 111.201 -178.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.416 ' CG ' ' N ' ' A' ' 50' ' ' ASP . 12.6 ptpt -69.28 -41.04 77.37 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.077 -1.014 . . . . 0.0 110.749 -178.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.416 ' N ' ' CG ' ' A' ' 49' ' ' LYS . 57.7 t0 -100.52 95.35 6.66 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.427 -0.796 . . . . 0.0 110.112 -179.038 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.97 -32.77 71.17 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 121.454 -0.779 . . . . 0.0 109.018 179.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 98.0 m-20 -60.12 -36.94 78.58 Favored 'General case' 0 N--CA 1.488 1.433 0 N-CA-C 108.61 -0.885 . . . . 0.0 108.61 179.569 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.408 ' O ' HD12 ' A' ' 57' ' ' ILE . . . -65.0 -38.35 90.69 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.342 -0.849 . . . . 0.0 110.967 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.4 HG22 ' HB ' ' A' ' 47' ' ' VAL . 47.9 t -69.93 -55.08 16.08 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.651 0 O-C-N 120.898 -1.126 . . . . 0.0 111.761 -177.648 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -68.34 -40.01 81.73 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.706 -1.246 . . . . 0.0 111.266 -177.889 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.563 ' HZ2' ' CE ' ' C' ' 7' ' ' LYS . 0.7 OUTLIER -69.04 -40.0 78.83 Favored 'General case' 0 C--N 1.296 -1.757 0 O-C-N 120.976 -1.077 . . . . 0.0 111.473 -178.265 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.504 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.4 mt -77.1 -54.45 12.9 Favored 'Isoleucine or valine' 0 C--N 1.304 -1.381 0 O-C-N 121.212 -0.93 . . . . 0.0 110.607 -177.063 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.501 ' O ' ' SD ' ' A' ' 58' ' ' MET . 0.6 OUTLIER -62.61 -45.28 93.6 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.674 -0.641 . . . . 0.0 112.084 -177.219 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . 0.427 ' CB ' ' NZ ' ' A' ' 59' ' ' LYS . 8.8 mtmp? -65.53 -38.62 90.17 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 120.772 -1.205 . . . . 0.0 109.527 -179.338 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 80.0 mm-40 -87.39 -16.21 35.61 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.134 -0.979 . . . . 0.0 109.276 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.515 ' C ' ' H ' ' A' ' 63' ' ' GLU . 43.1 tp -90.79 -18.81 24.28 Favored 'General case' 0 N--CA 1.505 2.324 0 N-CA-C 106.751 -1.574 . . . . 0.0 106.751 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.62 ' O ' ' N ' ' A' ' 65' ' ' GLY . 42.3 t0 -91.34 46.94 1.34 Allowed 'General case' 0 N--CA 1.496 1.844 0 N-CA-C 103.076 -2.935 . . . . 0.0 103.076 173.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.515 ' H ' ' C ' ' A' ' 61' ' ' LEU . 52.3 tp10 -39.16 -20.22 0.01 OUTLIER 'General case' 0 C--N 1.284 -2.247 0 CA-C-N 110.821 -2.899 . . . . 0.0 110.556 -177.486 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.504 ' N ' ' O ' ' A' ' 62' ' ' ASP . 17.8 t-20 -85.44 -0.24 54.3 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.341 -1.474 . . . . 0.0 108.102 178.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.62 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 60.03 39.87 96.28 Favored Glycine 0 N--CA 1.492 2.42 0 N-CA-C 111.363 -0.695 . . . . 0.0 111.363 178.888 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -102.12 -11.05 19.12 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 121.002 -1.293 . . . . 0.0 110.952 179.761 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.543 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 87.07 -9.61 71.85 Favored Glycine 0 N--CA 1.5 2.945 0 O-C-N 120.59 -1.319 . . . . 0.0 110.393 178.628 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.53 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 44.4 mt-10 -125.51 144.76 50.4 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 107.933 -1.136 . . . . 0.0 107.933 179.832 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.491 ' CG2' ' SD ' ' A' ' 58' ' ' MET . 60.9 t -104.71 132.73 50.72 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.297 0 O-C-N 121.539 -0.726 . . . . 0.0 109.957 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' A' ' 72' ' ' GLN . 94.6 m-20 -87.59 126.52 34.99 Favored 'General case' 0 C--N 1.302 -1.493 0 O-C-N 121.095 -1.003 . . . . 0.0 109.163 179.796 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.509 ' CD2' ' N ' ' A' ' 72' ' ' GLN . 45.2 p90 -26.46 -37.51 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.406 0 N-CA-C 112.285 0.476 . . . . 0.0 112.285 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.544 ' N ' ' O ' ' A' ' 70' ' ' ASP . 56.9 tt0 -60.2 -40.97 91.94 Favored 'General case' 0 N--CA 1.497 1.904 0 O-C-N 120.611 -1.306 . . . . 0.0 109.539 -179.739 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.488 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.1 mt-10 -69.15 -40.01 78.46 Favored 'General case' 0 C--N 1.297 -1.689 0 O-C-N 121.22 -0.925 . . . . 0.0 109.951 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 65.3 t80 -62.05 -39.94 94.06 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 112.752 0.649 . . . . 0.0 112.752 -178.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.6 p -71.3 -34.15 52.99 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.759 0 O-C-N 121.091 -1.005 . . . . 0.0 110.726 -178.048 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 55.6 t -67.75 -58.66 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.642 0 O-C-N 121.114 -0.991 . . . . 0.0 111.235 -178.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.468 ' O ' HD22 ' A' ' 81' ' ' LEU . 6.2 tt -70.1 -42.41 72.74 Favored 'General case' 0 N--CA 1.497 1.914 0 O-C-N 120.826 -1.171 . . . . 0.0 113.561 -176.471 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.433 ' O ' HD23 ' A' ' 81' ' ' LEU . 53.1 t -61.14 -40.05 84.51 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.658 -1.276 . . . . 0.0 110.45 -179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.56 -28.12 37.32 Favored 'General case' 0 C--N 1.286 -2.167 0 O-C-N 121.219 -0.925 . . . . 0.0 112.412 -178.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.81 -56.05 10.65 Favored 'General case' 0 N--CA 1.495 1.799 0 O-C-N 119.806 -1.809 . . . . 0.0 110.02 -178.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.592 HD23 ' H ' ' A' ' 82' ' ' THR . 1.3 pt? -62.23 -39.1 91.69 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.026 -1.046 . . . . 0.0 111.051 -178.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.592 ' H ' HD23 ' A' ' 81' ' ' LEU . 0.6 OUTLIER -61.92 -49.78 74.78 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 121.385 -0.822 . . . . 0.0 112.102 -177.488 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' N ' ' CG2' ' A' ' 82' ' ' THR . 19.4 m -74.05 -36.63 45.07 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.059 0 O-C-N 120.095 -1.628 . . . . 0.0 109.742 179.777 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.5 -32.17 72.18 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.789 -0.57 . . . . 0.0 110.744 -179.137 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.506 ' O ' ' ND2' ' A' ' 92' ' ' ASN . 93.0 m -69.93 -40.25 75.64 Favored 'General case' 0 C--N 1.302 -1.494 0 O-C-N 121.239 -0.913 . . . . 0.0 109.001 -179.839 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 42.1 t30 -61.0 -39.95 91.67 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 121.496 -0.753 . . . . 0.0 109.994 179.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 30.7 m120 -60.63 -39.68 89.13 Favored 'General case' 0 N--CA 1.49 1.551 0 O-C-N 121.429 -0.794 . . . . 0.0 110.873 -178.461 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.571 ' O ' ' CG ' ' A' ' 89' ' ' PHE . 20.1 m-85 -66.51 -62.15 1.61 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.679 -1.263 . . . . 0.0 110.61 -179.162 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.571 ' CG ' ' O ' ' A' ' 88' ' ' PHE . 9.0 m-85 -178.15 161.1 1.45 Allowed 'General case' 0 N--CA 1.501 2.121 0 O-C-N 121.308 -0.87 . . . . 0.0 109.023 -179.655 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 68.2 p-90 -80.07 -12.92 59.64 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.176 -0.953 . . . . 0.0 108.879 178.274 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 84.4 tt0 -79.97 -10.07 59.74 Favored 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.419 -0.801 . . . . 0.0 109.506 -179.681 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.506 ' ND2' ' O ' ' A' ' 85' ' ' CYS . 50.2 p-10 -79.4 -0.2 31.83 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 120.983 -1.073 . . . . 0.0 109.004 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 40.6 t . . . . . 0 N--CA 1.489 1.502 0 CA-C-O 117.97 -1.014 . . . . 0.0 109.567 179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.913 0 N-CA-C 119.431 2.532 . . . . 0.0 119.431 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 16.6 m -107.32 5.23 27.31 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 108.305 -0.998 . . . . 0.0 108.305 178.52 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 50.1 mt-10 -61.4 -53.93 50.18 Favored 'General case' 0 N--CA 1.488 1.454 0 O-C-N 121.622 -0.674 . . . . 0.0 110.197 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.577 HD12 ' HB2' ' A' ' 40' ' ' GLU . 93.1 mt -59.83 -39.72 86.03 Favored 'General case' 0 N--CA 1.498 1.932 0 O-C-N 121.215 -0.928 . . . . 0.0 110.03 -178.353 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -53.48 -41.07 65.86 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.708 -1.245 . . . . 0.0 107.997 179.72 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.779 HG22 HG21 ' A' ' 10' ' ' THR . 0.4 OUTLIER -72.03 -28.88 63.66 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.655 -0.869 . . . . 0.0 108.655 178.829 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.43 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -58.85 -51.69 68.92 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.065 -1.022 . . . . 0.0 109.758 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.6 ttt -61.79 -40.14 94.17 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.462 -0.774 . . . . 0.0 110.82 -179.618 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 98.3 mt-10 -62.73 -39.43 94.05 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.331 -0.856 . . . . 0.0 110.051 -178.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.789 HG21 HG22 ' A' ' 6' ' ' THR . 18.0 p -69.97 -45.5 67.23 Favored 'General case' 0 C--N 1.294 -1.809 0 O-C-N 121.771 -0.581 . . . . 0.0 110.989 -178.41 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . . . . . . . . . 86.6 mt -60.04 -40.6 89.96 Favored 'General case' 0 N--CA 1.503 2.176 0 O-C-N 121.663 -0.648 . . . . 0.0 112.131 -179.153 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 50.0 mt -82.82 -34.67 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 120.871 -1.143 . . . . 0.0 112.085 -177.123 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 12.1 m120 -60.41 -40.1 89.78 Favored 'General case' 0 C--N 1.295 -1.797 0 O-C-N 120.462 -1.399 . . . . 0.0 109.044 -178.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.467 HG21 HD21 ' A' ' 4' ' ' LEU . 34.0 m -75.7 -34.5 28.76 Favored 'Isoleucine or valine' 0 C--N 1.29 -2.018 0 CA-C-N 115.608 -0.724 . . . . 0.0 110.839 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.402 ' CD2' ' CD2' ' B' ' 16' ' ' HIS . 13.8 t80 -60.03 -54.93 40.24 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 120.945 -1.097 . . . . 0.0 111.079 179.707 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . 0.402 ' CD2' ' CD2' ' B' ' 15' ' ' PHE . 32.6 m170 -73.04 -23.88 60.64 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.558 -0.714 . . . . 0.0 112.31 -177.207 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -73.73 -60.0 2.45 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.424 -1.423 . . . . 0.0 111.595 -177.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 48.3 t-80 -76.73 -38.33 54.43 Favored 'General case' 0 N--CA 1.498 1.971 0 O-C-N 120.432 -1.417 . . . . 0.0 112.244 -177.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.4 p -62.37 -21.51 65.39 Favored 'General case' 0 N--CA 1.496 1.825 0 O-C-N 120.983 -1.073 . . . . 0.0 112.564 -178.116 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -104.36 19.62 42.19 Favored Glycine 0 N--CA 1.499 2.888 0 N-CA-C 110.198 -1.161 . . . . 0.0 110.198 -178.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.4 tppp? -76.29 -47.41 23.83 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 120.819 -1.401 . . . . 0.0 109.228 179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 14.3 pt-20 -144.65 18.51 1.66 Allowed 'General case' 0 N--CA 1.496 1.86 0 O-C-N 121.292 -0.88 . . . . 0.0 109.836 179.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.34 -159.82 25.13 Favored Glycine 0 N--CA 1.501 3.003 0 O-C-N 121.223 -0.923 . . . . 0.0 110.852 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.53 ' O ' ' C ' ' B' ' 25' ' ' LYS . 95.6 m-20 -94.07 167.07 11.82 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.762 -0.846 . . . . 0.0 109.198 179.755 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.53 ' C ' ' O ' ' B' ' 24' ' ' ASP . 34.7 ttpt -13.85 -100.75 0.0 OUTLIER 'General case' 0 N--CA 1.512 2.659 0 C-N-CA 122.792 0.437 . . . . 0.0 111.491 -179.534 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 20.8 m-85 -126.98 81.63 2.03 Favored 'General case' 0 N--CA 1.508 2.435 0 O-C-N 120.703 -1.248 . . . . 0.0 110.296 179.243 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 12.2 ttmm -142.55 143.27 32.41 Favored 'General case' 0 N--CA 1.493 1.699 0 N-CA-C 107.124 -1.435 . . . . 0.0 107.124 177.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.488 HD12 ' HA ' ' B' ' 28' ' ' LEU . 8.8 tp -91.83 154.23 19.04 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.915 -1.116 . . . . 0.0 108.19 -179.735 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.476 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 48.3 t -129.49 163.7 25.34 Favored 'General case' 0 N--CA 1.5 2.048 0 O-C-N 121.315 -0.866 . . . . 0.0 109.68 -178.345 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 33.3 ttmt -51.67 -47.59 63.77 Favored 'General case' 0 N--CA 1.495 1.777 0 C-N-CA 118.711 -1.196 . . . . 0.0 110.208 -179.654 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 60.0 tttp -73.73 -34.81 64.94 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 120.942 -1.099 . . . . 0.0 111.227 -178.582 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.476 ' HB2' ' H ' ' B' ' 29' ' ' SER . 92.7 mt-10 -70.4 -31.7 69.02 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.352 -0.843 . . . . 0.0 110.372 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.68 ' O ' HD22 ' B' ' 37' ' ' LEU . 0.4 OUTLIER -82.64 -32.81 28.07 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.312 -0.867 . . . . 0.0 110.405 -179.751 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 84.5 tttt -60.46 -43.58 96.77 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.194 -0.941 . . . . 0.0 110.778 -179.034 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 98.4 m-20 -82.54 -27.88 31.38 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.084 -1.01 . . . . 0.0 111.247 -179.226 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -69.73 -40.06 76.45 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.39 -0.819 . . . . 0.0 112.24 -176.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.718 HD23 ' H ' ' B' ' 38' ' ' GLN . 1.1 pt? -84.05 -40.61 18.14 Favored 'General case' 0 C--N 1.295 -1.792 0 O-C-N 121.24 -0.913 . . . . 0.0 111.995 -178.389 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.718 ' H ' HD23 ' B' ' 37' ' ' LEU . 1.8 pp0? -65.54 -38.77 90.58 Favored 'General case' 0 N--CA 1.488 1.448 0 O-C-N 120.779 -1.201 . . . . 0.0 110.108 -179.002 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.55 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.4 m -66.29 -42.87 87.76 Favored 'General case' 0 C--N 1.304 -1.401 0 CA-C-N 115.539 -0.755 . . . . 0.0 112.151 -177.683 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.526 ' HB2' HD12 ' A' ' 4' ' ' LEU . 7.1 mt-10 -100.39 -19.75 16.13 Favored 'General case' 0 N--CA 1.498 1.944 0 O-C-N 120.647 -1.283 . . . . 0.0 111.048 -178.472 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 14.3 mt -122.07 74.0 1.13 Allowed 'General case' 0 N--CA 1.508 2.434 0 O-C-N 121.151 -0.968 . . . . 0.0 108.927 179.042 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.421 ' O ' ' CB ' ' B' ' 43' ' ' SER . 74.7 p -85.82 140.93 30.01 Favored 'General case' 0 C--N 1.304 -1.372 0 N-CA-C 109.255 -0.646 . . . . 0.0 109.255 179.447 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.421 ' CB ' ' O ' ' B' ' 42' ' ' SER . 1.0 OUTLIER 73.89 -3.63 2.46 Favored 'General case' 0 C--N 1.294 -1.81 0 O-C-N 121.503 -0.748 . . . . 0.0 110.93 179.093 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -109.21 -61.52 1.61 Allowed 'General case' 0 N--CA 1.499 1.996 0 N-CA-C 107.432 -1.321 . . . . 0.0 107.432 177.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.434 HD21 HD21 ' B' ' 81' ' ' LEU . 1.9 mm? -102.89 137.58 40.91 Favored 'General case' 0 N--CA 1.496 1.826 0 N-CA-C 107.585 -1.265 . . . . 0.0 107.585 178.415 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.515 ' OD1' ' N ' ' B' ' 46' ' ' ASP . 15.8 p-10 -119.55 150.87 39.55 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.056 -1.028 . . . . 0.0 108.888 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.635 HG11 HD21 ' B' ' 37' ' ' LEU . 14.3 m -154.72 -38.1 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 N-CA-C 107.975 -1.121 . . . . 0.0 107.975 179.061 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.519 ' N ' HG23 ' B' ' 47' ' ' VAL . 23.6 mt-30 -70.34 -52.75 20.39 Favored 'General case' 0 N--CA 1.491 1.602 0 CA-C-N 116.023 -0.535 . . . . 0.0 111.214 -178.551 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.425 ' CG ' ' N ' ' B' ' 50' ' ' ASP . 12.5 ptpt -68.63 -41.11 79.92 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.238 -0.914 . . . . 0.0 110.725 -178.412 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.425 ' N ' ' CG ' ' B' ' 49' ' ' LYS . 57.1 t0 -100.47 95.82 6.99 Favored 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.33 -0.857 . . . . 0.0 110.083 -179.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.35 -32.61 70.38 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.208 -0.933 . . . . 0.0 108.823 178.827 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 98.3 m-20 -60.13 -36.72 78.12 Favored 'General case' 0 N--CA 1.486 1.354 0 O-C-N 121.289 -0.882 . . . . 0.0 108.633 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.424 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -66.33 -36.09 82.04 Favored 'General case' 0 N--CA 1.491 1.599 0 O-C-N 121.649 -0.657 . . . . 0.0 111.396 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.415 HG22 ' HB ' ' B' ' 47' ' ' VAL . 48.6 t -71.22 -55.27 14.47 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.556 0 O-C-N 120.696 -1.252 . . . . 0.0 111.696 -178.627 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 95.5 m-20 -68.18 -40.23 82.31 Favored 'General case' 0 C--N 1.297 -1.696 0 O-C-N 120.636 -1.29 . . . . 0.0 111.077 -177.826 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.492 ' HZ2' ' CE ' ' D' ' 7' ' ' LYS . 0.7 OUTLIER -69.17 -40.03 78.37 Favored 'General case' 0 C--N 1.294 -1.82 0 O-C-N 121.03 -1.044 . . . . 0.0 111.484 -178.247 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.5 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.9 mt -76.8 -54.69 12.64 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.195 -0.941 . . . . 0.0 110.548 -177.08 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.486 ' O ' ' SD ' ' B' ' 58' ' ' MET . 0.6 OUTLIER -61.72 -45.68 92.92 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 121.732 -0.605 . . . . 0.0 112.468 -177.267 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . 0.448 ' CB ' ' NZ ' ' B' ' 59' ' ' LYS . 8.9 mtmp? -65.67 -38.38 89.13 Favored 'General case' 0 N--CA 1.493 1.681 0 C-N-CA 118.974 -1.09 . . . . 0.0 109.432 -179.06 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 80.3 mm-40 -87.48 -16.19 35.48 Favored 'General case' 0 N--CA 1.489 1.5 0 O-C-N 121.086 -1.009 . . . . 0.0 109.14 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.532 ' C ' ' H ' ' B' ' 63' ' ' GLU . 43.8 tp -91.13 -18.71 24.07 Favored 'General case' 0 N--CA 1.507 2.412 0 N-CA-C 106.635 -1.617 . . . . 0.0 106.635 179.149 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.598 ' O ' ' N ' ' B' ' 65' ' ' GLY . 43.8 t0 -91.23 46.71 1.33 Allowed 'General case' 0 N--CA 1.498 1.935 0 N-CA-C 103.019 -2.956 . . . . 0.0 103.019 173.791 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.532 ' H ' ' C ' ' B' ' 61' ' ' LEU . 52.2 tp10 -39.16 -19.9 0.01 OUTLIER 'General case' 0 C--N 1.286 -2.158 0 CA-C-N 110.901 -2.863 . . . . 0.0 110.524 -177.269 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.508 ' N ' ' O ' ' B' ' 62' ' ' ASP . 18.8 t-20 -85.88 -0.03 54.33 Favored 'General case' 0 N--CA 1.498 1.959 0 O-C-N 120.405 -1.434 . . . . 0.0 108.229 178.81 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.598 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 60.38 37.76 93.65 Favored Glycine 0 N--CA 1.492 2.421 0 N-CA-C 111.699 -0.56 . . . . 0.0 111.699 178.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -100.3 -10.95 20.74 Favored 'General case' 0 N--CA 1.504 2.274 0 O-C-N 121.005 -1.291 . . . . 0.0 111.074 -179.765 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.547 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 87.14 -9.94 70.67 Favored Glycine 0 N--CA 1.499 2.883 0 O-C-N 120.442 -1.411 . . . . 0.0 110.426 178.5 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.537 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 44.4 mt-10 -125.71 144.99 50.37 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 107.64 -1.245 . . . . 0.0 107.64 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.47 ' CG2' ' SD ' ' B' ' 58' ' ' MET . 62.0 t -104.21 132.69 50.17 Favored 'Isoleucine or valine' 0 C--N 1.283 -2.298 0 O-C-N 121.575 -0.703 . . . . 0.0 109.813 -177.45 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.536 ' O ' ' N ' ' B' ' 72' ' ' GLN . 94.6 m-20 -87.47 126.67 35.03 Favored 'General case' 0 C--N 1.303 -1.445 0 O-C-N 121.142 -0.974 . . . . 0.0 109.049 179.68 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.485 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 46.3 p90 -26.81 -37.32 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.393 0 N-CA-C 112.402 0.519 . . . . 0.0 112.402 -179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.536 ' N ' ' O ' ' B' ' 70' ' ' ASP . 56.7 tt0 -60.03 -41.25 91.8 Favored 'General case' 0 N--CA 1.497 1.885 0 O-C-N 120.597 -1.314 . . . . 0.0 109.459 -179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.46 ' N ' ' O ' ' B' ' 70' ' ' ASP . 96.3 mt-10 -69.01 -39.9 79.03 Favored 'General case' 0 C--N 1.297 -1.686 0 O-C-N 121.179 -0.951 . . . . 0.0 109.806 -179.673 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 66.6 t80 -62.41 -40.18 95.68 Favored 'General case' 0 N--CA 1.501 2.119 0 N-CA-C 112.796 0.665 . . . . 0.0 112.796 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 2.3 p -70.99 -33.45 51.86 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.795 0 O-C-N 121.15 -0.969 . . . . 0.0 110.882 -178.378 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 54.5 t -68.48 -58.62 5.32 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 120.962 -1.086 . . . . 0.0 111.316 -178.571 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.465 ' O ' HD22 ' B' ' 81' ' ' LEU . 6.2 tt -69.91 -43.07 72.46 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.94 -1.1 . . . . 0.0 113.238 -176.462 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.423 ' O ' HD23 ' B' ' 81' ' ' LEU . 54.6 t -60.83 -39.73 82.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.873 0 O-C-N 120.601 -1.312 . . . . 0.0 110.28 -179.601 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -80.69 -27.6 36.99 Favored 'General case' 0 C--N 1.286 -2.161 0 O-C-N 121.178 -0.952 . . . . 0.0 112.508 -178.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -67.69 -59.8 3.05 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 119.77 -1.831 . . . . 0.0 108.855 -178.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.551 HD23 ' H ' ' B' ' 82' ' ' THR . 1.4 pt? -58.59 -39.44 80.39 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.33 -0.856 . . . . 0.0 111.055 -177.435 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.551 ' H ' HD23 ' B' ' 81' ' ' LEU . 0.6 OUTLIER -61.7 -50.01 74.16 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 121.185 -0.947 . . . . 0.0 112.124 -177.709 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.433 ' N ' ' CG2' ' B' ' 82' ' ' THR . 18.4 m -73.91 -36.49 45.51 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.114 0 O-C-N 120.251 -1.531 . . . . 0.0 109.873 179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.402 ' N ' HG23 ' B' ' 83' ' ' VAL . . . -61.55 -32.51 72.58 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.803 -0.561 . . . . 0.0 110.721 -179.306 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.501 ' O ' ' ND2' ' B' ' 92' ' ' ASN . 99.6 m -69.96 -40.19 75.55 Favored 'General case' 0 C--N 1.302 -1.474 0 O-C-N 121.122 -0.986 . . . . 0.0 108.922 -179.692 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 40.8 t30 -60.79 -40.0 90.97 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.478 -0.764 . . . . 0.0 110.163 179.661 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 31.6 m120 -60.16 -39.86 87.89 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.387 -0.821 . . . . 0.0 111.035 -178.857 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.578 ' O ' ' CG ' ' B' ' 89' ' ' PHE . 19.9 m-85 -66.55 -61.96 1.71 Allowed 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.75 -1.219 . . . . 0.0 110.587 -178.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.578 ' CG ' ' O ' ' B' ' 88' ' ' PHE . 8.3 m-85 -178.36 160.8 1.34 Allowed 'General case' 0 N--CA 1.502 2.132 0 O-C-N 121.394 -0.816 . . . . 0.0 109.175 -179.546 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 68.4 p-90 -80.02 -13.01 59.65 Favored 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.081 -1.012 . . . . 0.0 108.88 178.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 85.9 tt0 -79.97 -9.95 59.73 Favored 'General case' 0 N--CA 1.491 1.624 0 O-C-N 121.485 -0.759 . . . . 0.0 109.393 -179.698 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.501 ' ND2' ' O ' ' B' ' 85' ' ' CYS . 50.1 p-10 -79.33 -0.43 32.49 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.031 -1.043 . . . . 0.0 109.144 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 37.1 t . . . . . 0 N--CA 1.49 1.554 0 CA-C-O 117.962 -1.018 . . . . 0.0 109.522 179.862 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.425 ' O ' ' C ' ' C' ' 2' ' ' LYS . 16.1 ptpt . . . . . 0 N--CA 1.49 1.555 0 N-CA-C 109.591 -0.522 . . . . 0.0 109.591 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . 0.425 ' C ' ' O ' ' C' ' 1' ' ' LYS . 3.0 ttmp? 40.21 -129.34 0.37 Allowed 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.515 -0.741 . . . . 0.0 109.869 179.359 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.99 -36.66 77.66 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 121.022 -1.049 . . . . 0.0 109.874 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 42.4 t -61.29 -25.4 36.31 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.63 0 O-C-N 121.013 -1.055 . . . . 0.0 109.498 -179.69 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -60.01 -40.0 87.72 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.372 -0.83 . . . . 0.0 110.057 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 94.2 m-70 -68.2 -23.46 64.83 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.225 -0.922 . . . . 0.0 110.682 -178.822 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 43.2 tttt -59.97 -54.65 43.54 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.827 -1.171 . . . . 0.0 110.62 -178.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 55.8 tp -60.53 -50.01 75.28 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 120.736 -1.228 . . . . 0.0 110.037 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.432 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 3.7 mm? -60.04 -39.62 86.56 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.116 -0.99 . . . . 0.0 109.118 179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 40.1 t -67.5 -40.1 85.16 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.046 -1.033 . . . . 0.0 110.475 -179.693 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.414 ' O ' ' C ' ' C' ' 12' ' ' GLN . 38.7 mmtm -60.09 -39.94 87.85 Favored 'General case' 0 N--CA 1.497 1.909 0 O-C-N 121.04 -1.037 . . . . 0.0 110.963 -179.327 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.414 ' C ' ' O ' ' C' ' 11' ' ' LYS . 6.6 pt20 . . . . . 0 N--CA 1.499 2.006 0 O-C-N 121.025 -1.047 . . . . 0.0 110.407 -178.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . 0.406 ' O ' ' C ' ' D' ' 2' ' ' LYS . 16.4 ptpt . . . . . 0 N--CA 1.49 1.548 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' D' ' 1' ' ' LYS . 2.9 ttmp? 40.5 -129.38 0.4 Allowed 'General case' 0 N--CA 1.497 1.919 0 O-C-N 121.625 -0.672 . . . . 0.0 109.845 179.469 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -59.98 -36.76 77.86 Favored 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.16 -0.962 . . . . 0.0 109.8 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 40.5 t -61.18 -25.48 36.4 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.663 0 O-C-N 121.177 -0.952 . . . . 0.0 109.527 -179.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 74.4 t-105 -59.86 -39.85 86.62 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.418 -0.802 . . . . 0.0 110.263 -179.199 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 94.1 m-70 -68.34 -23.62 64.72 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.205 -0.934 . . . . 0.0 110.608 -178.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . 0.401 ' HZ1' ' HG3' ' B' ' 56' ' ' LYS . 47.1 tttt -60.06 -54.77 42.09 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 120.826 -1.171 . . . . 0.0 110.509 -178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 55.7 tp -60.32 -50.04 75.2 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 120.627 -1.296 . . . . 0.0 110.105 -179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.44 ' N ' HD22 ' D' ' 9' ' ' LEU . 3.7 mm? -59.96 -39.41 85.5 Favored 'General case' 0 N--CA 1.488 1.451 0 O-C-N 121.171 -0.956 . . . . 0.0 109.124 179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 37.4 t -67.8 -40.04 83.93 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 121.134 -0.979 . . . . 0.0 110.44 -179.692 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.402 ' O ' ' C ' ' D' ' 12' ' ' GLN . 38.6 mmtm -60.05 -39.99 87.88 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.046 -1.034 . . . . 0.0 110.977 -179.272 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.402 ' C ' ' O ' ' D' ' 11' ' ' LYS . 6.8 pt20 . . . . . 0 N--CA 1.499 2.025 0 O-C-N 121.081 -1.012 . . . . 0.0 110.456 -178.824 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.819 0 N-CA-C 119.503 2.561 . . . . 0.0 119.503 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 68.2 m -108.58 -0.4 20.31 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.447 -1.031 . . . . 0.0 109.606 179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.506 ' O ' ' OG1' ' A' ' 6' ' ' THR . 98.8 mt-10 -60.32 -57.93 10.69 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 120.954 -1.091 . . . . 0.0 110.834 -177.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.522 HD21 HG11 ' B' ' 14' ' ' VAL . 95.1 mt -60.0 -34.51 73.43 Favored 'General case' 0 N--CA 1.502 2.131 0 O-C-N 120.497 -1.377 . . . . 0.0 109.604 -178.286 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 92.9 mt-10 -57.33 -41.03 79.22 Favored 'General case' 0 C--N 1.291 -1.946 0 O-C-N 121.08 -1.012 . . . . 0.0 108.492 179.391 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.506 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 30.2 p -71.58 -31.83 67.39 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.294 -0.878 . . . . 0.0 109.304 178.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -55.54 -57.13 13.2 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.671 -0.643 . . . . 0.0 110.942 -177.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 25.6 ptm -59.98 -33.08 71.48 Favored 'General case' 0 N--CA 1.491 1.594 0 O-C-N 120.611 -1.306 . . . . 0.0 110.192 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.47 -40.04 92.7 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 121.2 -0.937 . . . . 0.0 110.246 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 7.2 p -68.59 -45.58 71.63 Favored 'General case' 0 C--N 1.296 -1.719 0 O-C-N 121.687 -0.633 . . . . 0.0 110.647 -178.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.442 HD23 ' CD2' ' B' ' 4' ' ' LEU . 84.8 mt -61.12 -40.12 92.59 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.487 -0.758 . . . . 0.0 111.751 -178.72 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 55.1 mt -82.07 -39.56 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 O-C-N 120.94 -1.1 . . . . 0.0 112.625 -176.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . 0.424 ' OD1' ' OE2' ' B' ' 3' ' ' GLU . 22.6 t-20 -60.38 -41.07 92.99 Favored 'General case' 0 N--CA 1.496 1.856 0 O-C-N 120.075 -1.64 . . . . 0.0 109.878 -179.161 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.506 HG11 HD21 ' B' ' 4' ' ' LEU . 7.9 p -77.71 -34.35 19.96 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.689 0 O-C-N 121.892 -0.505 . . . . 0.0 110.542 -179.209 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.436 ' CD1' ' C ' ' A' ' 15' ' ' PHE . 46.8 t80 -59.94 -50.02 75.39 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 121.173 -0.954 . . . . 0.0 110.973 -179.537 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -74.12 -21.69 59.77 Favored 'General case' 0 C--N 1.297 -1.68 0 O-C-N 121.79 -0.569 . . . . 0.0 110.789 -178.263 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.15 -60.55 2.18 Favored 'General case' 0 C--N 1.303 -1.424 0 O-C-N 120.899 -1.126 . . . . 0.0 110.45 -179.134 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 74.7 m80 -69.93 -40.03 75.76 Favored 'General case' 0 N--CA 1.492 1.675 0 O-C-N 120.447 -1.408 . . . . 0.0 110.705 -178.463 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 53.5 p -68.97 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.261 -0.9 . . . . 0.0 111.263 -178.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -96.79 11.58 66.24 Favored Glycine 0 N--CA 1.496 2.697 0 O-C-N 121.146 -0.971 . . . . 0.0 110.923 -178.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 93.5 mttt -84.97 -59.92 2.2 Favored 'General case' 0 N--CA 1.492 1.672 0 O-C-N 120.709 -1.465 . . . . 0.0 109.028 179.203 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.519 ' O ' ' NZ ' ' A' ' 31' ' ' LYS . 8.2 pt-20 -132.85 71.0 1.46 Allowed 'General case' 0 N--CA 1.497 1.913 0 O-C-N 121.49 -0.756 . . . . 0.0 109.724 -179.357 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.08 -151.44 7.61 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.388 -1.485 . . . . 0.0 109.388 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.456 ' OD1' ' N ' ' A' ' 25' ' ' LYS . 28.0 t0 -91.0 158.92 16.42 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 107.757 -1.201 . . . . 0.0 107.757 178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.456 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 93.5 mttt -55.32 -28.35 53.1 Favored 'General case' 0 C--N 1.293 -1.854 0 O-C-N 121.036 -1.04 . . . . 0.0 110.369 -178.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 17.4 t80 -146.96 48.05 1.15 Allowed 'General case' 0 N--CA 1.493 1.707 0 O-C-N 120.574 -1.329 . . . . 0.0 112.532 -178.413 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.9 tptp -138.69 137.85 37.2 Favored 'General case' 0 N--CA 1.502 2.128 0 N-CA-C 105.216 -2.142 . . . . 0.0 105.216 175.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . . . . . . . . . 11.7 tp -94.13 149.77 20.93 Favored 'General case' 0 N--CA 1.49 1.534 0 O-C-N 120.501 -1.374 . . . . 0.0 108.85 -178.543 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.47 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 23.1 t -125.8 162.98 23.88 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 121.343 -0.848 . . . . 0.0 109.404 -178.628 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 77.3 tttt -53.34 -47.97 68.89 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.157 -0.965 . . . . 0.0 111.072 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.519 ' NZ ' ' O ' ' A' ' 22' ' ' GLU . 19.4 pttp -70.93 -29.0 64.91 Favored 'General case' 0 N--CA 1.494 1.731 0 O-C-N 120.97 -1.081 . . . . 0.0 110.005 -178.761 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.47 ' HB2' ' H ' ' A' ' 29' ' ' SER . 91.3 mt-10 -79.44 -35.15 40.92 Favored 'General case' 0 C--N 1.299 -1.602 0 N-CA-C 108.396 -0.965 . . . . 0.0 108.396 177.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 3.2 tt -60.01 -49.99 75.5 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 121.689 -0.632 . . . . 0.0 111.75 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.7 ptmt -67.83 -35.18 78.13 Favored 'General case' 0 N--CA 1.496 1.848 0 O-C-N 120.763 -1.211 . . . . 0.0 111.581 -177.796 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 96.0 m-20 -64.26 -38.19 90.15 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.73 -1.231 . . . . 0.0 108.292 178.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.435 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 60.5 tp -60.09 -39.96 87.93 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 112.734 0.642 . . . . 0.0 112.734 -178.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.445 HD21 ' CE2' ' A' ' 74' ' ' PHE . 86.7 mt -85.87 -33.69 21.2 Favored 'General case' 0 N--CA 1.506 2.331 0 O-C-N 120.477 -1.389 . . . . 0.0 113.566 -177.611 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.26 -20.86 63.03 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 120.249 -1.532 . . . . 0.0 110.226 -178.455 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 91.0 m -74.89 -64.52 1.03 Allowed 'General case' 0 C--N 1.298 -1.646 0 O-C-N 121.837 -0.54 . . . . 0.0 111.749 -177.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.48 ' OE1' ' N ' ' A' ' 40' ' ' GLU . 33.2 mp0 -89.95 -50.0 6.28 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.449 -1.407 . . . . 0.0 112.203 -177.782 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.48 69.11 4.93 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.655 -1.278 . . . . 0.0 108.96 -178.462 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 79.0 p -80.01 -22.08 42.87 Favored 'General case' 0 N--CA 1.488 1.426 0 O-C-N 121.784 -0.572 . . . . 0.0 111.416 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 87.2 p -110.24 6.34 22.49 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.116 -0.99 . . . . 0.0 111.56 -178.21 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 94.5 m-85 -124.22 -82.07 0.64 Allowed 'General case' 0 N--CA 1.502 2.129 0 O-C-N 121.032 -1.043 . . . . 0.0 108.522 179.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.587 ' N ' HD22 ' A' ' 45' ' ' LEU . 2.8 mm? -70.02 139.87 52.79 Favored 'General case' 0 C--N 1.305 -1.348 0 N-CA-C 108.023 -1.103 . . . . 0.0 108.023 179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.463 ' O ' HG13 ' A' ' 47' ' ' VAL . 92.4 m-20 -128.47 156.55 43.06 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 122.21 1.005 . . . . 0.0 109.505 -179.029 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.474 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.7 m -159.25 -34.43 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.626 0 N-CA-C 107.952 -1.129 . . . . 0.0 107.952 -179.785 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.402 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.6 pt20 -82.12 -36.45 27.5 Favored 'General case' 0 C--N 1.302 -1.479 0 O-C-N 121.579 -0.701 . . . . 0.0 111.906 -178.082 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.5 pttp -61.33 -39.81 91.9 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.743 -1.223 . . . . 0.0 109.804 -178.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -124.67 113.62 18.25 Favored 'General case' 0 N--CA 1.501 2.108 0 CA-C-O 121.604 0.716 . . . . 0.0 110.623 -178.473 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.96 -25.87 63.84 Favored 'General case' 0 C--N 1.304 -1.412 0 N-CA-C 108.419 -0.956 . . . . 0.0 108.419 178.533 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 85.4 m-20 -60.95 -39.91 91.32 Favored 'General case' 0 N--CA 1.488 1.459 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 179.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.74 -39.93 95.49 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.515 -0.74 . . . . 0.0 111.029 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.474 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 21.6 t -69.04 -54.71 18.69 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.643 0 O-C-N 121.266 -0.896 . . . . 0.0 112.697 -177.588 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 94.3 m-20 -65.79 -40.02 91.52 Favored 'General case' 0 C--N 1.291 -1.974 0 O-C-N 120.522 -1.361 . . . . 0.0 110.928 -177.457 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 65.6 mmtt -69.61 -39.99 76.88 Favored 'General case' 0 C--N 1.293 -1.855 0 O-C-N 121.364 -0.835 . . . . 0.0 111.309 -178.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.538 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.8 mt -82.2 -55.81 7.09 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.569 0 O-C-N 121.279 -0.888 . . . . 0.0 110.736 -177.75 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.2 -42.49 95.19 Favored 'General case' 0 C--N 1.293 -1.869 0 O-C-N 121.753 -0.592 . . . . 0.0 111.7 -178.171 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 81.5 tttt -69.9 -36.84 75.74 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.963 -1.086 . . . . 0.0 109.558 -179.01 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.8 mt-10 -87.83 -18.07 30.1 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.078 -1.013 . . . . 0.0 109.419 179.397 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.538 ' N ' ' O ' ' A' ' 57' ' ' ILE . 69.7 tp -83.33 -17.29 42.93 Favored 'General case' 0 N--CA 1.503 2.19 0 N-CA-C 106.925 -1.509 . . . . 0.0 106.925 -179.414 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.588 ' O ' ' N ' ' A' ' 65' ' ' GLY . 45.3 t0 -94.18 44.87 1.12 Allowed 'General case' 0 N--CA 1.492 1.671 0 N-CA-C 103.128 -2.916 . . . . 0.0 103.128 174.084 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.498 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.7 tt0 -37.9 -18.18 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.07 0 CA-C-N 111.202 -2.726 . . . . 0.0 111.06 -177.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.559 ' N ' ' O ' ' A' ' 62' ' ' ASP . 82.7 m-20 -86.71 0.06 55.36 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 120.534 -1.354 . . . . 0.0 108.088 178.769 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.588 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.98 36.45 90.31 Favored Glycine 0 N--CA 1.496 2.642 0 C-N-CA 121.151 -0.547 . . . . 0.0 111.741 178.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' A' ' 68' ' ' GLU . 3.3 p30 -99.4 -13.17 19.69 Favored 'General case' 0 N--CA 1.505 2.289 0 O-C-N 120.832 -1.393 . . . . 0.0 110.447 179.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.556 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 88.64 -10.16 73.15 Favored Glycine 0 N--CA 1.5 2.905 0 O-C-N 120.663 -1.273 . . . . 0.0 110.309 178.703 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.565 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 48.5 mt-10 -121.16 139.75 52.93 Favored 'General case' 0 C--N 1.312 -1.047 0 N-CA-C 108.112 -1.07 . . . . 0.0 108.112 179.252 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.2 t -96.19 138.24 22.06 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.128 0 CA-C-O 121.526 0.679 . . . . 0.0 109.178 -178.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.556 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 41.8 t0 -95.04 117.82 30.81 Favored 'General case' 0 C--N 1.301 -1.505 0 O-C-N 121.494 -0.754 . . . . 0.0 109.214 -179.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.563 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.2 p90 -24.65 -39.14 0.01 OUTLIER 'General case' 0 N--CA 1.508 2.45 0 N-CA-C 112.495 0.554 . . . . 0.0 112.495 -179.687 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.563 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 20.3 tm0? -59.99 -42.68 94.75 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 120.625 -1.297 . . . . 0.0 108.845 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.531 ' N ' ' O ' ' A' ' 70' ' ' ASP . 99.4 mt-10 -64.14 -39.99 95.2 Favored 'General case' 0 C--N 1.299 -1.627 0 CA-C-O 121.983 0.897 . . . . 0.0 109.223 179.304 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.445 ' CE2' HD21 ' A' ' 37' ' ' LEU . 25.2 t80 -60.08 -39.96 87.91 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 121.883 -0.511 . . . . 0.0 112.028 -179.302 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.489 ' O ' ' HB3' ' A' ' 79' ' ' ALA . 0.8 OUTLIER -70.0 -33.24 54.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.762 0 O-C-N 120.726 -1.234 . . . . 0.0 111.458 -177.85 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 74.5 t -70.34 -60.33 2.56 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.682 -1.261 . . . . 0.0 111.817 -178.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.09 -42.59 72.52 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.943 -1.098 . . . . 0.0 112.695 -177.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 20.9 t -71.15 -41.24 75.65 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 O-C-N 120.9 -1.125 . . . . 0.0 111.424 -177.752 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.489 ' HB3' ' O ' ' A' ' 75' ' ' VAL . . . -74.46 -24.26 59.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.072 -1.017 . . . . 0.0 109.469 -179.324 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -66.78 -52.16 47.37 Favored 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 108.455 -0.943 . . . . 0.0 108.455 178.699 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 21.5 mt -63.54 -33.22 75.12 Favored 'General case' 0 N--CA 1.49 1.567 0 CA-C-O 121.552 0.692 . . . . 0.0 110.042 -179.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . . . . . . . . . 94.1 m -60.03 -53.93 52.03 Favored 'General case' 0 N--CA 1.496 1.866 0 O-C-N 121.503 -0.748 . . . . 0.0 111.417 -177.035 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 34.2 m -80.18 -29.97 12.63 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.966 0 O-C-N 120.851 -1.155 . . . . 0.0 110.994 -179.387 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.37 -38.2 90.2 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 121.353 -0.842 . . . . 0.0 110.241 -179.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 93.8 m -69.59 -40.05 76.92 Favored 'General case' 0 C--N 1.301 -1.54 0 O-C-N 121.29 -0.881 . . . . 0.0 109.137 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 24.3 m120 -60.01 -41.61 92.52 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.353 -0.842 . . . . 0.0 109.712 -179.346 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 43.7 t30 -63.89 -39.95 95.38 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.189 -0.945 . . . . 0.0 109.98 179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -63.33 -19.53 64.7 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.261 -0.9 . . . . 0.0 109.876 -178.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.48 139.95 56.66 Favored 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.099 -1.001 . . . . 0.0 109.113 -179.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -60.01 -40.1 88.07 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.214 -0.929 . . . . 0.0 110.535 -179.454 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 20.2 pt-20 -71.23 -9.99 59.01 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.112 -0.993 . . . . 0.0 109.887 -179.029 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -105.65 19.33 20.73 Favored 'General case' 0 N--CA 1.493 1.708 0 O-C-N 121.47 -0.769 . . . . 0.0 109.236 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.2 p . . . . . 0 N--CA 1.488 1.449 0 CA-C-O 117.98 -1.01 . . . . 0.0 109.649 179.99 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.879 0 N-CA-C 119.662 2.625 . . . . 0.0 119.662 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 69.2 m -108.89 -0.23 19.85 Favored 'General case' 0 N--CA 1.496 1.862 0 O-C-N 121.459 -1.024 . . . . 0.0 109.591 179.539 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.482 ' O ' ' OG1' ' B' ' 6' ' ' THR . 98.8 mt-10 -60.38 -57.92 10.7 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.936 -1.103 . . . . 0.0 110.777 -177.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.506 HD21 HG11 ' A' ' 14' ' ' VAL . 96.1 mt -59.92 -35.01 73.98 Favored 'General case' 0 N--CA 1.501 2.096 0 O-C-N 120.518 -1.364 . . . . 0.0 109.623 -178.268 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 92.0 mt-10 -56.9 -41.15 77.57 Favored 'General case' 0 C--N 1.293 -1.857 0 O-C-N 121.05 -1.031 . . . . 0.0 108.518 179.25 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.482 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 30.7 p -71.56 -31.07 66.58 Favored 'General case' 0 C--N 1.298 -1.668 0 O-C-N 121.282 -0.886 . . . . 0.0 109.351 178.853 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -56.17 -56.66 18.19 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 121.695 -0.628 . . . . 0.0 110.94 -176.298 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 25.7 ptm -60.06 -33.1 71.6 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.9 -1.125 . . . . 0.0 110.047 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 53.2 tp10 -65.68 -39.82 91.71 Favored 'General case' 0 N--CA 1.496 1.842 0 O-C-N 121.237 -0.915 . . . . 0.0 110.144 -179.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.403 ' O ' HG12 ' B' ' 14' ' ' VAL . 7.8 p -68.84 -45.74 70.34 Favored 'General case' 0 C--N 1.298 -1.64 0 CA-C-O 121.437 0.637 . . . . 0.0 110.603 -178.62 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.438 HD23 ' CD2' ' A' ' 4' ' ' LEU . 84.2 mt -60.65 -40.09 90.76 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 121.497 -0.752 . . . . 0.0 111.894 -178.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 55.7 mt -82.22 -40.01 16.84 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.929 0 O-C-N 120.785 -1.197 . . . . 0.0 112.538 -176.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . 0.42 ' OD1' ' OE2' ' A' ' 3' ' ' GLU . 22.9 t-20 -60.06 -40.96 91.3 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.221 -1.549 . . . . 0.0 109.769 -178.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.522 HG11 HD21 ' A' ' 4' ' ' LEU . 8.2 p -77.89 -34.24 19.4 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 121.912 -0.493 . . . . 0.0 110.585 -179.329 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.439 ' CD1' ' C ' ' B' ' 15' ' ' PHE . 47.4 t80 -59.97 -50.12 75.0 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.025 -1.047 . . . . 0.0 110.903 -179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -74.1 -21.64 59.81 Favored 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.894 -0.504 . . . . 0.0 110.721 -178.149 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.16 -60.64 2.13 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 120.848 -1.157 . . . . 0.0 110.522 -179.162 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.1 m80 -69.81 -40.07 76.17 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 120.375 -1.453 . . . . 0.0 110.637 -178.393 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 52.1 p -68.96 -12.88 62.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.35 -0.844 . . . . 0.0 111.328 -178.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -97.05 11.81 65.72 Favored Glycine 0 N--CA 1.497 2.741 0 O-C-N 121.219 -0.925 . . . . 0.0 110.829 -178.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 91.7 mttt -84.89 -60.37 2.07 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.75 -1.441 . . . . 0.0 109.024 178.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.52 ' O ' ' NZ ' ' B' ' 31' ' ' LYS . 8.2 pt-20 -132.59 71.04 1.46 Allowed 'General case' 0 N--CA 1.498 1.962 0 O-C-N 121.494 -0.754 . . . . 0.0 109.741 -179.299 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -171.11 -151.58 7.7 Favored Glycine 0 N--CA 1.494 2.516 0 N-CA-C 109.319 -1.512 . . . . 0.0 109.319 179.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' B' ' 25' ' ' LYS . 27.8 t0 -90.81 158.87 16.58 Favored 'General case' 0 N--CA 1.488 1.443 0 O-C-N 121.089 -1.242 . . . . 0.0 107.798 178.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' B' ' 24' ' ' ASP . 93.0 mttt -55.38 -28.27 52.9 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.054 -1.028 . . . . 0.0 110.237 -178.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 17.5 t80 -146.99 47.99 1.15 Allowed 'General case' 0 N--CA 1.493 1.723 0 O-C-N 120.589 -1.319 . . . . 0.0 112.637 -178.418 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 6.1 tptp -138.54 137.91 37.5 Favored 'General case' 0 N--CA 1.5 2.074 0 N-CA-C 105.253 -2.128 . . . . 0.0 105.253 175.228 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' B' ' 28' ' ' LEU . 11.9 tp -94.12 149.99 20.73 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 120.556 -1.34 . . . . 0.0 108.862 -178.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.486 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 23.3 t -126.07 162.35 25.52 Favored 'General case' 0 N--CA 1.498 1.941 0 O-C-N 121.384 -0.822 . . . . 0.0 109.393 -178.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 77.8 tttt -52.98 -47.68 68.03 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.04 -1.037 . . . . 0.0 111.11 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.52 ' NZ ' ' O ' ' B' ' 22' ' ' GLU . 19.6 pttp -71.23 -28.77 64.42 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 121.012 -1.055 . . . . 0.0 110.088 -178.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.486 ' HB2' ' H ' ' B' ' 29' ' ' SER . 90.7 mt-10 -79.31 -35.41 41.18 Favored 'General case' 0 C--N 1.299 -1.619 0 N-CA-C 108.32 -0.993 . . . . 0.0 108.32 177.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 3.4 tt -59.95 -50.01 75.43 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.861 -179.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.6 ptmt -67.64 -35.13 78.33 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 120.721 -1.237 . . . . 0.0 111.548 -177.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 95.9 m-20 -64.39 -38.32 90.63 Favored 'General case' 0 N--CA 1.491 1.603 0 O-C-N 120.702 -1.249 . . . . 0.0 108.312 178.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.431 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 63.2 tp -60.03 -39.97 87.75 Favored 'General case' 0 C--N 1.292 -1.915 0 N-CA-C 112.771 0.656 . . . . 0.0 112.771 -178.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.441 HD21 ' CE2' ' B' ' 74' ' ' PHE . 85.1 mt -85.96 -33.2 21.19 Favored 'General case' 0 N--CA 1.509 2.476 0 O-C-N 120.672 -1.267 . . . . 0.0 113.613 -177.593 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . . . . . . . . . 3.7 pt20 -70.79 -20.66 62.57 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.276 -1.515 . . . . 0.0 110.164 -178.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 90.5 m -74.9 -64.53 1.03 Allowed 'General case' 0 C--N 1.299 -1.597 0 O-C-N 121.839 -0.538 . . . . 0.0 111.629 -177.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.503 ' OE1' ' N ' ' B' ' 40' ' ' GLU . 33.4 mp0 -89.93 -49.89 6.35 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.551 -1.343 . . . . 0.0 112.328 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -92.76 69.27 4.7 Favored 'General case' 0 N--CA 1.503 2.198 0 O-C-N 120.61 -1.306 . . . . 0.0 108.924 -178.583 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 79.7 p -80.07 -22.16 42.59 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.906 -0.496 . . . . 0.0 111.397 -179.485 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 87.8 p -110.23 6.51 22.66 Favored 'General case' 0 N--CA 1.505 2.31 0 O-C-N 121.124 -0.985 . . . . 0.0 111.55 -178.248 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 93.7 m-85 -124.49 -81.83 0.64 Allowed 'General case' 0 N--CA 1.502 2.173 0 O-C-N 120.988 -1.07 . . . . 0.0 108.448 179.264 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.571 HD22 ' N ' ' B' ' 45' ' ' LEU . 2.9 mm? -70.17 140.0 52.47 Favored 'General case' 0 N--CA 1.487 1.416 0 N-CA-C 107.908 -1.145 . . . . 0.0 107.908 179.213 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.484 ' O ' HG13 ' B' ' 47' ' ' VAL . 92.9 m-20 -128.79 156.96 42.75 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 122.221 1.01 . . . . 0.0 109.476 -178.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.484 HG13 ' O ' ' B' ' 46' ' ' ASP . 16.1 m -159.88 -34.57 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.299 -1.619 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.605 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.405 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.4 pt20 -81.99 -36.54 27.76 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.602 -0.686 . . . . 0.0 111.939 -178.241 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -61.35 -39.7 91.57 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.68 -1.263 . . . . 0.0 109.856 -178.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 51.0 t0 -124.65 113.43 18.01 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-O 121.636 0.731 . . . . 0.0 110.642 -178.551 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -25.35 63.51 Favored 'General case' 0 C--N 1.303 -1.431 0 N-CA-C 108.345 -0.983 . . . . 0.0 108.345 178.704 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.8 m-20 -61.36 -39.64 91.38 Favored 'General case' 0 N--CA 1.488 1.425 0 N-CA-C 108.231 -1.026 . . . . 0.0 108.231 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.26 -38.39 90.89 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.592 -0.693 . . . . 0.0 111.257 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.472 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 21.3 t -70.11 -54.85 16.92 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.615 0 O-C-N 121.092 -1.005 . . . . 0.0 112.727 -178.253 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -65.46 -40.09 92.78 Favored 'General case' 0 C--N 1.29 -2.017 0 O-C-N 120.581 -1.325 . . . . 0.0 110.846 -177.515 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.401 ' HG3' ' HZ1' ' D' ' 7' ' ' LYS . 65.8 mmtt -69.89 -39.86 75.99 Favored 'General case' 0 C--N 1.293 -1.849 0 O-C-N 121.312 -0.867 . . . . 0.0 111.363 -177.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.549 ' O ' ' N ' ' B' ' 61' ' ' LEU . 96.7 mt -82.31 -55.74 7.17 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.48 0 O-C-N 121.379 -0.826 . . . . 0.0 110.762 -177.762 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.5 tmt? -60.01 -42.59 94.63 Favored 'General case' 0 C--N 1.292 -1.927 0 O-C-N 121.703 -0.623 . . . . 0.0 111.807 -178.372 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -70.02 -36.94 75.47 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 120.963 -1.085 . . . . 0.0 109.412 -178.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 99.7 mt-10 -87.64 -18.1 30.37 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.177 -0.952 . . . . 0.0 109.424 179.315 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.549 ' N ' ' O ' ' B' ' 57' ' ' ILE . 67.2 tp -83.37 -17.41 42.43 Favored 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.567 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 45.5 t0 -93.94 44.91 1.13 Allowed 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 103.292 -2.855 . . . . 0.0 103.292 173.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.501 ' H ' ' C ' ' B' ' 61' ' ' LEU . 87.1 tt0 -37.99 -17.99 0.01 OUTLIER 'General case' 0 C--N 1.289 -2.057 0 CA-C-N 111.191 -2.731 . . . . 0.0 111.139 -177.684 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.55 ' N ' ' O ' ' B' ' 62' ' ' ASP . 82.7 m-20 -86.74 -0.09 55.69 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.481 -1.387 . . . . 0.0 107.994 178.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.545 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 61.08 33.76 85.36 Favored Glycine 0 N--CA 1.497 2.718 0 C-N-CA 121.159 -0.543 . . . . 0.0 111.849 178.428 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.506 ' OD1' ' N ' ' B' ' 68' ' ' GLU . 3.3 p30 -97.54 -12.92 22.01 Favored 'General case' 0 N--CA 1.505 2.306 0 O-C-N 120.751 -1.441 . . . . 0.0 110.671 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.552 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 88.26 -10.21 72.09 Favored Glycine 0 N--CA 1.496 2.67 0 O-C-N 120.703 -1.248 . . . . 0.0 110.411 178.677 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.567 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 48.9 mt-10 -120.79 141.12 50.81 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 107.691 -1.226 . . . . 0.0 107.691 179.121 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.9 t -96.86 138.63 21.41 Favored 'Isoleucine or valine' 0 C--N 1.286 -2.187 0 O-C-N 121.468 -0.77 . . . . 0.0 109.072 -179.285 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.553 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 41.9 t0 -94.86 118.05 31.14 Favored 'General case' 0 C--N 1.301 -1.524 0 O-C-N 121.481 -0.762 . . . . 0.0 109.16 -179.597 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.558 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 55.0 p90 -24.9 -38.9 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.478 0 N-CA-C 112.578 0.584 . . . . 0.0 112.578 -179.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.558 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 20.4 tm0? -59.98 -42.68 94.72 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.666 -1.271 . . . . 0.0 108.813 179.895 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.544 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.5 mt-10 -64.3 -40.03 95.12 Favored 'General case' 0 C--N 1.301 -1.516 0 CA-C-O 121.941 0.877 . . . . 0.0 109.238 179.468 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.441 ' CE2' HD21 ' B' ' 37' ' ' LEU . 25.0 t80 -60.05 -39.89 87.5 Favored 'General case' 0 N--CA 1.494 1.73 0 CA-C-N 116.104 -0.498 . . . . 0.0 112.02 -179.274 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.497 ' O ' ' HB3' ' B' ' 79' ' ' ALA . 0.8 OUTLIER -69.86 -33.3 55.26 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.718 0 O-C-N 120.708 -1.245 . . . . 0.0 111.469 -177.976 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -70.27 -60.49 2.39 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.892 0 O-C-N 120.683 -1.261 . . . . 0.0 111.847 -178.525 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 6.4 tt -70.06 -42.66 72.53 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.045 -1.034 . . . . 0.0 112.713 -177.267 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 20.7 t -70.68 -41.55 77.7 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.761 0 O-C-N 120.932 -1.105 . . . . 0.0 111.47 -177.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.497 ' HB3' ' O ' ' B' ' 75' ' ' VAL . . . -74.53 -24.2 58.93 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.212 -0.93 . . . . 0.0 109.641 -179.223 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.94 -55.89 14.51 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 107.474 -1.306 . . . . 0.0 107.474 178.37 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 19.9 mt -60.11 -33.76 72.56 Favored 'General case' 0 N--CA 1.495 1.819 0 CA-C-O 121.378 0.609 . . . . 0.0 110.108 -178.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . . . . . . . . . 94.3 m -59.94 -54.01 51.09 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 121.342 -0.849 . . . . 0.0 111.416 -177.095 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . . . . . . . . . 34.5 m -80.11 -29.94 12.73 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.898 0 O-C-N 120.855 -1.153 . . . . 0.0 111.007 -179.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -64.52 -38.22 90.25 Favored 'General case' 0 N--CA 1.494 1.727 0 O-C-N 121.38 -0.825 . . . . 0.0 110.066 -179.333 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 93.1 m -69.57 -39.89 77.08 Favored 'General case' 0 C--N 1.301 -1.538 0 O-C-N 121.275 -0.891 . . . . 0.0 109.149 179.77 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -60.07 -41.54 92.64 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.307 -0.871 . . . . 0.0 109.688 -179.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 44.0 t30 -63.99 -40.02 95.44 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.286 -0.884 . . . . 0.0 109.843 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 56.1 t80 -63.33 -19.28 64.48 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.428 -0.795 . . . . 0.0 109.954 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -59.89 139.96 57.0 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.01 -1.056 . . . . 0.0 109.068 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 76.9 t-105 -59.98 -40.06 87.83 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.263 -0.898 . . . . 0.0 110.567 -179.323 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 20.1 pt-20 -71.3 -9.75 58.64 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.064 -1.022 . . . . 0.0 109.832 -179.091 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -105.95 19.33 20.7 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.375 -0.828 . . . . 0.0 109.251 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 81.0 p . . . . . 0 N--CA 1.488 1.464 0 CA-C-O 118.005 -0.997 . . . . 0.0 109.724 -179.933 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 33.8 ttpt . . . . . 0 N--CA 1.492 1.641 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 88.3 tttt -119.15 -49.79 2.38 Favored 'General case' 0 N--CA 1.499 1.991 0 O-C-N 121.37 -0.831 . . . . 0.0 109.614 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.5 -41.37 76.15 Favored 'General case' 0 N--CA 1.491 1.586 0 O-C-N 121.155 -0.966 . . . . 0.0 110.566 -179.246 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 79.1 t -62.32 -46.72 95.78 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.584 0 O-C-N 120.94 -1.1 . . . . 0.0 109.258 -179.643 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.415 ' CH2' ' CD2' ' A' ' 81' ' ' LEU . 76.6 t-105 -59.93 -45.12 93.64 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.48 -0.762 . . . . 0.0 109.506 -179.903 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.02 -40.04 87.92 Favored 'General case' 0 N--CA 1.49 1.559 0 O-C-N 121.519 -0.738 . . . . 0.0 110.558 -179.686 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 74.7 tttt -59.96 -50.04 75.3 Favored 'General case' 0 N--CA 1.495 1.801 0 O-C-N 121.166 -0.959 . . . . 0.0 111.179 -178.682 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 58.1 tp -59.98 -49.24 78.43 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 120.87 -1.144 . . . . 0.0 110.166 -177.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.453 ' N ' ' CD2' ' C' ' 9' ' ' LEU . 3.5 mm? -64.72 -40.83 96.0 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 120.914 -1.116 . . . . 0.0 109.057 179.514 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 58.6 m -68.41 -41.35 80.56 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.074 -1.016 . . . . 0.0 109.589 179.487 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 16.4 tptt -60.46 -39.99 89.6 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 121.463 -0.773 . . . . 0.0 109.921 -179.212 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.444 ' OE1' ' OD2' ' A' ' 50' ' ' ASP . 15.1 mm100 . . . . . 0 N--CA 1.496 1.843 0 CA-C-O 117.955 -1.021 . . . . 0.0 109.52 -179.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 33.6 ttpt . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.457 -0.572 . . . . 0.0 109.457 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -119.2 -49.68 2.38 Favored 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.481 -0.762 . . . . 0.0 109.597 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.61 -41.14 76.09 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.262 -0.899 . . . . 0.0 110.576 -179.24 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 77.4 t -62.52 -46.9 95.27 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.657 0 O-C-N 120.997 -1.064 . . . . 0.0 109.194 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 76.5 t-105 -60.09 -44.73 94.58 Favored 'General case' 0 N--CA 1.489 1.499 0 O-C-N 121.425 -0.797 . . . . 0.0 109.527 -179.769 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -60.12 -39.99 88.15 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.493 -0.754 . . . . 0.0 110.603 -179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 74.6 tttt -60.07 -49.98 75.51 Favored 'General case' 0 N--CA 1.495 1.816 0 O-C-N 121.176 -0.952 . . . . 0.0 111.089 -178.626 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.02 -49.21 78.57 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 120.98 -1.075 . . . . 0.0 110.062 -177.636 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 3.8 mm? -64.7 -40.89 96.14 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.014 -1.054 . . . . 0.0 109.111 179.528 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -68.44 -41.21 80.6 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.027 -1.045 . . . . 0.0 109.587 179.461 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 17.1 tptt -60.61 -39.99 90.21 Favored 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.439 -0.788 . . . . 0.0 109.887 -179.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 14.9 mm100 . . . . . 0 N--CA 1.496 1.829 0 CA-C-O 118.008 -0.996 . . . . 0.0 109.555 -179.698 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.832 0 N-CA-C 119.391 2.516 . . . . 0.0 119.391 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -105.75 -9.25 17.36 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 121.454 -1.027 . . . . 0.0 108.691 178.753 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.455 ' O ' ' OG1' ' A' ' 6' ' ' THR . 57.4 mm-40 -60.42 -56.81 16.97 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.404 -0.81 . . . . 0.0 109.88 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.649 HD13 HD23 ' B' ' 11' ' ' LEU . 11.5 tp -57.42 -38.05 73.75 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.6 -1.312 . . . . 0.0 109.623 -177.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.0 tt0 -54.85 -44.09 73.64 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.242 -0.911 . . . . 0.0 109.183 179.016 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.455 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 29.3 p -68.79 -33.05 73.21 Favored 'General case' 0 C--N 1.301 -1.511 0 O-C-N 121.44 -0.787 . . . . 0.0 110.112 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.603 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -58.32 -42.64 87.22 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.045 -1.035 . . . . 0.0 108.962 -178.79 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.549 ' CE ' ' OG1' ' B' ' 82' ' ' THR . 1.5 mtp -60.07 -39.97 87.88 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 120.917 -1.114 . . . . 0.0 110.63 179.315 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.526 ' N ' ' OE1' ' A' ' 9' ' ' GLU . 0.8 OUTLIER -63.76 -39.65 94.78 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.151 -0.968 . . . . 0.0 109.936 -179.697 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.607 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 16.7 p -68.34 -47.02 68.6 Favored 'General case' 0 C--N 1.297 -1.713 0 O-C-N 121.555 -0.716 . . . . 0.0 112.059 -177.56 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.655 HD23 HD13 ' B' ' 4' ' ' LEU . 31.2 mt -60.0 -43.81 94.95 Favored 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.289 -0.882 . . . . 0.0 111.74 -178.313 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 28.9 mt -80.08 -35.5 15.94 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.921 0 O-C-N 120.956 -1.09 . . . . 0.0 112.252 -176.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -60.04 -40.19 88.55 Favored 'General case' 0 C--N 1.293 -1.873 0 O-C-N 120.162 -1.586 . . . . 0.0 109.718 -179.498 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.17 -33.84 11.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 O-C-N 121.576 -0.703 . . . . 0.0 110.871 -179.213 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 68.2 t80 -59.88 -50.04 75.32 Favored 'General case' 0 N--CA 1.496 1.827 0 O-C-N 121.14 -0.975 . . . . 0.0 111.169 -179.013 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 78.2 t60 -78.32 -24.42 46.59 Favored 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.687 -0.633 . . . . 0.0 111.387 -178.04 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -70.67 -59.97 2.52 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.64 -1.288 . . . . 0.0 110.597 -178.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -66.92 -39.89 87.48 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.828 -1.17 . . . . 0.0 111.0 -178.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.45 ' O ' ' OE2' ' A' ' 32' ' ' GLU . 21.9 t -61.2 -17.04 51.11 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.344 -0.848 . . . . 0.0 111.399 -178.191 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.61 17.22 10.29 Favored Glycine 0 N--CA 1.5 2.944 0 N-CA-C 109.99 -1.244 . . . . 0.0 109.99 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 34.9 ttmt -67.52 -23.48 65.46 Favored 'General case' 0 N--CA 1.488 1.462 0 O-C-N 120.855 -1.379 . . . . 0.0 109.186 -179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.01 6.46 45.08 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 121.461 -0.775 . . . . 0.0 109.778 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.75 28.58 23.55 Favored Glycine 0 N--CA 1.495 2.618 0 C-N-CA 120.059 -1.067 . . . . 0.0 110.846 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.616 ' O ' ' O ' ' A' ' 25' ' ' LYS . 92.6 m-20 -104.83 120.01 40.37 Favored 'General case' 0 N--CA 1.49 1.527 0 N-CA-C 106.666 -1.605 . . . . 0.0 106.666 177.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.616 ' O ' ' O ' ' A' ' 24' ' ' ASP . 82.7 mttt -28.48 -107.17 0.0 OUTLIER 'General case' 0 N--CA 1.516 2.837 0 CA-C-N 118.683 0.674 . . . . 0.0 110.188 -178.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 9.6 p90 -136.16 71.82 1.43 Allowed 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.748 -1.22 . . . . 0.0 110.203 179.74 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.514 ' HB2' ' HZ2' ' A' ' 27' ' ' LYS . 0.0 OUTLIER -139.19 141.78 37.94 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.787 -1.56 . . . . 0.0 106.787 177.678 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.517 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 3.2 mm? -97.01 150.52 20.69 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.969 -1.082 . . . . 0.0 110.52 -178.486 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.527 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 89.1 p -125.87 164.08 21.53 Favored 'General case' 0 C--N 1.297 -1.708 0 N-CA-C 106.467 -1.679 . . . . 0.0 106.467 178.677 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.12 -39.96 30.47 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 118.286 -1.366 . . . . 0.0 110.294 -179.788 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.432 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 17.2 tptm -71.73 -32.0 67.3 Favored 'General case' 0 N--CA 1.499 2.011 0 O-C-N 120.936 -1.102 . . . . 0.0 112.243 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 29' ' ' SER . 27.0 mt-10 -73.04 -38.12 66.63 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 120.734 -1.229 . . . . 0.0 108.495 179.575 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.704 ' C ' HD23 ' A' ' 33' ' ' LEU . 2.5 tt -64.75 -44.1 91.19 Favored 'General case' 0 N--CA 1.494 1.758 0 CA-C-N 115.675 -0.693 . . . . 0.0 112.052 -179.436 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.643 ' N ' HD23 ' A' ' 33' ' ' LEU . 79.0 tttt -66.33 -40.34 89.84 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 121.044 -1.035 . . . . 0.0 112.104 -176.633 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.432 ' OD1' ' O ' ' A' ' 31' ' ' LYS . 12.4 p-10 -77.14 -26.72 53.42 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 120.704 -1.247 . . . . 0.0 109.507 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -67.47 -40.09 85.3 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.539 -0.725 . . . . 0.0 112.547 -178.241 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 92.5 mt -85.94 -34.24 20.95 Favored 'General case' 0 N--CA 1.505 2.316 0 O-C-N 120.632 -1.293 . . . . 0.0 113.083 -177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.476 ' CD ' ' NE2' ' A' ' 48' ' ' GLN . 14.6 pt20 -69.3 -21.0 63.89 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 120.613 -1.305 . . . . 0.0 109.747 -178.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 54.5 m -80.08 -70.02 0.55 Allowed 'General case' 0 C--N 1.299 -1.625 0 CA-C-O 121.169 0.509 . . . . 0.0 111.751 -177.642 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -77.19 -53.97 7.08 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.166 -0.959 . . . . 0.0 112.928 -177.216 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -92.96 57.54 2.8 Favored 'General case' 0 N--CA 1.504 2.244 0 O-C-N 120.637 -1.29 . . . . 0.0 108.423 -179.409 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 45.1 m -69.99 -25.26 63.52 Favored 'General case' 0 N--CA 1.494 1.736 0 CA-C-N 115.777 -0.647 . . . . 0.0 112.263 -178.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 12.4 t -105.52 2.11 28.15 Favored 'General case' 0 N--CA 1.504 2.261 0 O-C-N 120.909 -1.119 . . . . 0.0 111.151 -178.149 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -119.88 -80.01 0.61 Allowed 'General case' 0 N--CA 1.5 2.044 0 O-C-N 121.268 -0.895 . . . . 0.0 109.101 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.478 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.5 mm? -77.23 130.46 37.27 Favored 'General case' 0 C--N 1.304 -1.379 0 N-CA-C 108.731 -0.84 . . . . 0.0 108.731 179.529 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.434 ' OD2' ' OD2' ' A' ' 50' ' ' ASP . 33.3 p-10 -112.32 155.79 23.52 Favored 'General case' 0 N--CA 1.489 1.506 0 N-CA-C 108.377 -0.972 . . . . 0.0 108.377 179.696 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.506 HG23 ' N ' ' A' ' 48' ' ' GLN . 15.9 m -155.82 -37.69 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.512 0 N-CA-C 107.335 -1.357 . . . . 0.0 107.335 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.506 ' N ' HG23 ' A' ' 47' ' ' VAL . 87.5 mt-30 -69.93 -53.35 18.27 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.773 -0.579 . . . . 0.0 112.169 -178.406 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 27.5 pttt -69.88 -35.46 74.69 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 120.814 -1.179 . . . . 0.0 111.485 -177.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.444 ' OD2' ' OE1' ' C' ' 12' ' ' GLN . 89.8 m-20 -100.13 99.49 10.21 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 120.904 -1.122 . . . . 0.0 110.258 -179.548 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.14 -37.47 75.29 Favored 'General case' 0 N--CA 1.491 1.613 0 O-C-N 121.331 -0.856 . . . . 0.0 109.213 178.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 93.6 m-20 -59.97 -33.23 71.67 Favored 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.378 -0.826 . . . . 0.0 108.971 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -69.62 -39.57 77.12 Favored 'General case' 0 C--N 1.298 -1.649 0 O-C-N 121.688 -0.633 . . . . 0.0 110.993 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.427 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 53.3 t -69.35 -55.18 16.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.603 0 O-C-N 121.054 -1.029 . . . . 0.0 111.422 -178.094 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.48 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 25.4 p-10 -65.43 -40.49 93.37 Favored 'General case' 0 C--N 1.292 -1.934 0 O-C-N 120.565 -1.334 . . . . 0.0 111.452 -177.362 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.48 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 3.7 ttpm? -70.03 -40.32 75.26 Favored 'General case' 0 C--N 1.301 -1.533 0 O-C-N 120.995 -1.066 . . . . 0.0 111.111 -178.57 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.502 ' O ' ' N ' ' A' ' 61' ' ' LEU . 96.7 mt -78.93 -55.49 9.58 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.481 0 O-C-N 121.262 -0.899 . . . . 0.0 110.47 -176.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.08 -46.0 91.01 Favored 'General case' 0 C--N 1.289 -2.026 0 O-C-N 121.827 -0.546 . . . . 0.0 111.589 -178.219 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 82.0 tttt -69.57 -38.26 77.32 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 120.908 -1.12 . . . . 0.0 110.115 -178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.473 ' CG ' ' O ' ' A' ' 56' ' ' LYS . 1.0 OUTLIER -84.92 -17.23 38.46 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.062 -1.024 . . . . 0.0 109.05 179.891 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.502 ' N ' ' O ' ' A' ' 57' ' ' ILE . 7.2 tt -86.68 -14.43 42.6 Favored 'General case' 0 N--CA 1.505 2.291 0 N-CA-C 107.232 -1.396 . . . . 0.0 107.232 179.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.648 ' CG ' ' H ' ' A' ' 67' ' ' GLY . 8.3 t70 -94.5 46.73 1.15 Allowed 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 102.877 -3.008 . . . . 0.0 102.877 173.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.483 ' H ' ' C ' ' A' ' 61' ' ' LEU . 46.9 tp10 -44.25 -21.42 0.04 OUTLIER 'General case' 0 C--N 1.292 -1.907 0 CA-C-N 110.447 -3.07 . . . . 0.0 110.845 -177.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . . . . . . . . . 81.8 m-20 -85.67 -0.07 54.12 Favored 'General case' 0 N--CA 1.497 1.886 0 O-C-N 120.55 -1.344 . . . . 0.0 107.991 179.255 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.472 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 65.68 31.51 80.18 Favored Glycine 0 N--CA 1.493 2.465 0 C-N-CA 120.685 -0.769 . . . . 0.0 112.408 177.461 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 4.4 p-10 -98.38 -11.5 22.38 Favored 'General case' 0 N--CA 1.504 2.264 0 O-C-N 120.719 -1.46 . . . . 0.0 109.96 178.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.648 ' H ' ' CG ' ' A' ' 62' ' ' ASP . . . 81.06 0.16 88.37 Favored Glycine 0 N--CA 1.498 2.78 0 N-CA-C 109.924 -1.27 . . . . 0.0 109.924 179.612 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.447 ' O ' ' OD1' ' A' ' 62' ' ' ASP . 46.7 mt-10 -124.74 141.45 52.1 Favored 'General case' 0 N--CA 1.481 1.075 0 N-CA-C 108.132 -1.062 . . . . 0.0 108.132 179.775 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 53.8 t -97.04 134.38 35.0 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.775 0 CA-C-O 122.052 0.93 . . . . 0.0 111.018 -177.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.476 ' OD1' ' CD2' ' A' ' 71' ' ' PHE . 11.0 t70 -86.98 158.35 19.28 Favored 'General case' 0 N--CA 1.486 1.372 0 N-CA-C 108.727 -0.842 . . . . 0.0 108.727 179.347 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.552 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 46.5 p90 -60.0 -38.08 81.57 Favored 'General case' 0 C--N 1.298 -1.637 0 O-C-N 121.1 -1.0 . . . . 0.0 110.305 -179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.552 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 62.9 tt0 -65.18 -39.66 93.18 Favored 'General case' 0 N--CA 1.496 1.828 0 O-C-N 120.857 -1.152 . . . . 0.0 110.646 -178.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 94.1 mt-10 -68.93 -39.94 79.31 Favored 'General case' 0 N--CA 1.494 1.773 0 O-C-N 120.39 -1.444 . . . . 0.0 110.154 -179.031 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 30.1 t80 -67.21 -40.0 86.39 Favored 'General case' 0 N--CA 1.497 1.888 0 O-C-N 121.47 -0.769 . . . . 0.0 112.458 -178.06 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.7 p -70.73 -31.91 47.46 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.754 0 O-C-N 120.767 -1.208 . . . . 0.0 111.088 -178.095 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 43.9 t -73.73 -60.8 2.06 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.691 0 O-C-N 121.115 -0.99 . . . . 0.0 112.435 -178.138 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . 0.419 HD22 HD12 ' A' ' 61' ' ' LEU . 6.4 tp -70.17 -40.01 74.94 Favored 'General case' 0 N--CA 1.496 1.87 0 O-C-N 120.853 -1.155 . . . . 0.0 112.615 -176.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.408 ' O ' HG22 ' A' ' 82' ' ' THR . 22.9 t -68.52 -39.93 81.31 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.548 0 O-C-N 120.886 -1.134 . . . . 0.0 109.991 -177.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.72 -23.72 61.67 Favored 'General case' 0 C--N 1.297 -1.677 0 N-CA-C 108.657 -0.868 . . . . 0.0 108.657 179.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -69.63 -25.78 64.1 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.414 -0.804 . . . . 0.0 111.352 -179.188 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.415 ' CD2' ' CH2' ' C' ' 5' ' ' TRP . 18.5 mt -91.76 -35.98 13.82 Favored 'General case' 0 N--CA 1.504 2.256 0 O-C-N 120.579 -1.326 . . . . 0.0 110.812 -178.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.544 ' OG1' ' CE ' ' B' ' 8' ' ' MET . 0.1 OUTLIER -65.12 -44.34 89.04 Favored 'General case' 0 N--CA 1.495 1.785 0 C-N-CA 117.883 -1.527 . . . . 0.0 109.622 -178.833 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.44 HG11 ' CD1' ' B' ' 71' ' ' PHE . 16.0 t -75.61 -43.75 41.06 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 120.794 -1.191 . . . . 0.0 110.265 -179.814 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.03 -31.46 71.86 Favored 'General case' 0 C--N 1.3 -1.579 0 O-C-N 121.693 -0.63 . . . . 0.0 110.724 -177.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 42.6 t -73.32 -42.78 61.95 Favored 'General case' 0 C--N 1.298 -1.647 0 O-C-N 121.39 -0.819 . . . . 0.0 111.189 -178.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 28.6 m120 -60.22 -40.86 91.62 Favored 'General case' 0 N--CA 1.493 1.724 0 O-C-N 121.162 -0.961 . . . . 0.0 111.17 -178.123 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.41 -31.98 32.95 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 120.831 -1.168 . . . . 0.0 110.229 -179.324 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 64.6 t80 -61.69 -39.92 93.16 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 121.111 -0.993 . . . . 0.0 111.702 -178.249 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.474 ' O ' ' O ' ' A' ' 90' ' ' TRP . 2.8 p90 -83.11 23.87 0.83 Allowed 'General case' 0 N--CA 1.5 2.071 0 O-C-N 120.516 -1.365 . . . . 0.0 110.813 -178.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.474 ' O ' ' O ' ' A' ' 89' ' ' PHE . 35.6 t-105 -60.03 -139.96 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.256 -0.903 . . . . 0.0 109.334 179.555 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.414 ' N ' ' CG ' ' A' ' 90' ' ' TRP . 88.2 tt0 -70.41 -8.88 54.26 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 120.958 -1.088 . . . . 0.0 108.243 179.522 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . 0.401 ' O ' ' OXT' ' A' ' 93' ' ' SER . 32.0 p-10 -90.49 5.99 45.34 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.373 -0.829 . . . . 0.0 109.114 179.567 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.401 ' OXT' ' O ' ' A' ' 92' ' ' ASN . 41.3 t . . . . . 0 N--CA 1.492 1.627 0 CA-C-O 118.059 -0.972 . . . . 0.0 109.667 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.817 0 N-CA-C 119.384 2.514 . . . . 0.0 119.384 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -105.5 -9.2 17.6 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.421 -1.047 . . . . 0.0 108.823 178.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.425 ' O ' ' OG1' ' B' ' 6' ' ' THR . 57.3 mm-40 -60.33 -56.87 16.19 Favored 'General case' 0 C--N 1.302 -1.459 0 O-C-N 121.437 -0.79 . . . . 0.0 109.861 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.655 HD13 HD23 ' A' ' 11' ' ' LEU . 12.5 tp -57.98 -37.28 73.91 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.501 -1.374 . . . . 0.0 109.51 -177.801 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 84.5 tt0 -55.38 -43.58 75.27 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.106 -0.996 . . . . 0.0 109.146 178.758 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 28.6 p -69.33 -31.94 70.72 Favored 'General case' 0 C--N 1.3 -1.58 0 O-C-N 121.359 -0.838 . . . . 0.0 110.016 179.88 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.607 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -59.84 -41.72 92.03 Favored 'General case' 0 C--N 1.299 -1.61 0 C-N-CA 118.923 -1.111 . . . . 0.0 108.745 -177.453 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.544 ' CE ' ' OG1' ' A' ' 82' ' ' THR . 1.4 mtp -60.09 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.143 -0.973 . . . . 0.0 110.441 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . 0.533 ' OE1' ' N ' ' B' ' 9' ' ' GLU . 0.8 OUTLIER -63.62 -39.63 94.84 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.087 -1.008 . . . . 0.0 109.942 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.603 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 16.8 p -68.22 -47.1 68.75 Favored 'General case' 0 C--N 1.297 -1.703 0 O-C-N 121.578 -0.701 . . . . 0.0 112.038 -177.649 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.649 HD23 HD13 ' A' ' 4' ' ' LEU . 32.1 mt -59.96 -43.72 94.86 Favored 'General case' 0 N--CA 1.496 1.843 0 O-C-N 121.295 -0.878 . . . . 0.0 111.836 -178.284 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 26.8 mt -79.56 -36.48 17.67 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.99 0 O-C-N 121.06 -1.025 . . . . 0.0 112.034 -176.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -59.87 -40.07 87.41 Favored 'General case' 0 C--N 1.292 -1.906 0 O-C-N 120.28 -1.513 . . . . 0.0 109.549 -178.703 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 1.9 p -82.07 -33.78 11.93 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 121.549 -0.719 . . . . 0.0 111.037 -179.378 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -59.96 -49.99 75.51 Favored 'General case' 0 N--CA 1.495 1.813 0 O-C-N 121.157 -0.965 . . . . 0.0 111.233 -178.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 77.9 t60 -78.25 -24.17 47.02 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.587 -0.696 . . . . 0.0 111.445 -178.16 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.0 -59.95 2.5 Favored 'General case' 0 N--CA 1.488 1.461 0 O-C-N 120.651 -1.28 . . . . 0.0 110.597 -178.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.7 m80 -66.73 -40.04 88.22 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 120.889 -1.132 . . . . 0.0 110.905 -178.667 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.447 ' O ' ' OE2' ' B' ' 32' ' ' GLU . 25.7 t -61.19 -16.99 50.72 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.26 -0.9 . . . . 0.0 111.486 -178.206 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -119.54 16.73 10.44 Favored Glycine 0 N--CA 1.501 2.969 0 N-CA-C 109.955 -1.258 . . . . 0.0 109.955 -179.259 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 35.0 ttmt -67.11 -23.47 65.83 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 120.821 -1.4 . . . . 0.0 109.235 -179.289 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 46.6 mt-10 -100.02 6.37 45.06 Favored 'General case' 0 N--CA 1.497 1.895 0 O-C-N 121.466 -0.771 . . . . 0.0 109.681 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.6 28.78 23.37 Favored Glycine 0 N--CA 1.496 2.694 0 C-N-CA 120.045 -1.074 . . . . 0.0 110.784 179.043 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.623 ' O ' ' O ' ' B' ' 25' ' ' LYS . 92.9 m-20 -104.86 120.0 40.36 Favored 'General case' 0 N--CA 1.49 1.575 0 N-CA-C 106.685 -1.598 . . . . 0.0 106.685 177.518 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.623 ' O ' ' O ' ' B' ' 24' ' ' ASP . 83.6 mttt -28.73 -107.14 0.0 OUTLIER 'General case' 0 N--CA 1.515 2.802 0 CA-C-N 118.599 0.636 . . . . 0.0 110.176 -178.813 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -136.16 71.71 1.43 Allowed 'General case' 0 N--CA 1.495 1.821 0 O-C-N 120.702 -1.249 . . . . 0.0 110.133 179.727 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.416 ' C ' HD22 ' B' ' 28' ' ' LEU . 0.0 OUTLIER -139.24 141.87 37.85 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 106.839 -1.541 . . . . 0.0 106.839 177.674 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.523 ' N ' ' CD2' ' B' ' 28' ' ' LEU . 3.1 mm? -97.17 150.15 21.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.027 -1.046 . . . . 0.0 110.539 -178.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.516 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 89.9 p -125.27 164.24 20.77 Favored 'General case' 0 C--N 1.297 -1.698 0 N-CA-C 106.461 -1.681 . . . . 0.0 106.461 178.571 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 30.2 ttmt -49.06 -40.04 29.92 Favored 'General case' 0 N--CA 1.495 1.814 0 C-N-CA 118.332 -1.347 . . . . 0.0 110.272 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.439 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 17.5 tptm -72.29 -31.08 65.41 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.832 -1.167 . . . . 0.0 112.136 -179.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.516 ' HB2' ' H ' ' B' ' 29' ' ' SER . 26.4 mt-10 -73.53 -38.07 65.41 Favored 'General case' 0 N--CA 1.494 1.733 0 O-C-N 120.47 -1.394 . . . . 0.0 108.267 179.329 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . 0.704 HD23 ' C ' ' B' ' 33' ' ' LEU . 2.5 tt -64.45 -44.52 90.87 Favored 'General case' 0 N--CA 1.495 1.799 0 CA-C-N 115.685 -0.689 . . . . 0.0 112.18 -179.416 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . 0.63 ' N ' HD23 ' B' ' 33' ' ' LEU . 78.8 tttt -65.99 -40.41 91.16 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.99 -1.069 . . . . 0.0 112.214 -176.719 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.439 ' OD1' ' O ' ' B' ' 31' ' ' LYS . 12.4 p-10 -77.12 -26.65 53.47 Favored 'General case' 0 N--CA 1.492 1.657 0 O-C-N 120.612 -1.305 . . . . 0.0 109.363 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -67.6 -40.11 84.78 Favored 'General case' 0 C--N 1.297 -1.678 0 O-C-N 121.528 -0.733 . . . . 0.0 112.562 -178.13 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 91.9 mt -85.81 -35.2 20.83 Favored 'General case' 0 N--CA 1.506 2.372 0 O-C-N 120.525 -1.359 . . . . 0.0 112.971 -177.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.474 ' CD ' ' NE2' ' B' ' 48' ' ' GLN . 14.5 pt20 -68.33 -21.19 64.76 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 120.748 -1.22 . . . . 0.0 109.764 -178.155 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 59.0 m -79.97 -69.76 0.56 Allowed 'General case' 0 C--N 1.298 -1.633 0 CA-C-O 121.282 0.563 . . . . 0.0 111.896 -177.635 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 15.1 pt-20 -77.46 -54.0 6.95 Favored 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.259 -0.9 . . . . 0.0 112.931 -177.177 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 13.1 mt -93.07 57.65 2.78 Favored 'General case' 0 N--CA 1.503 2.225 0 O-C-N 120.652 -1.28 . . . . 0.0 108.338 -179.442 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 45.9 m -70.13 -24.98 63.27 Favored 'General case' 0 N--CA 1.494 1.744 0 CA-C-N 115.739 -0.664 . . . . 0.0 112.224 -178.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 13.7 t -105.94 2.43 27.49 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 121.0 -1.063 . . . . 0.0 111.061 -178.108 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.8 m-85 -120.03 -79.96 0.61 Allowed 'General case' 0 N--CA 1.5 2.07 0 O-C-N 121.277 -0.889 . . . . 0.0 109.051 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.48 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.6 mm? -77.29 130.61 37.41 Favored 'General case' 0 C--N 1.304 -1.397 0 N-CA-C 108.682 -0.859 . . . . 0.0 108.682 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 50' ' ' ASP . 33.5 p-10 -112.47 155.53 24.1 Favored 'General case' 0 N--CA 1.49 1.532 0 N-CA-C 108.27 -1.011 . . . . 0.0 108.27 179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.505 HG23 ' N ' ' B' ' 48' ' ' GLN . 15.9 m -155.81 -37.73 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.3 -1.557 0 N-CA-C 107.325 -1.361 . . . . 0.0 107.325 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.505 ' N ' HG23 ' B' ' 47' ' ' VAL . 88.8 mt-30 -70.07 -53.79 15.93 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.849 -0.532 . . . . 0.0 112.036 -178.421 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 26.0 pttt -69.17 -35.9 76.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 120.799 -1.188 . . . . 0.0 111.514 -177.677 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . 0.431 ' OD2' ' OD2' ' B' ' 46' ' ' ASP . 90.0 m-20 -100.06 99.52 10.26 Favored 'General case' 0 N--CA 1.5 2.053 0 O-C-N 120.967 -1.083 . . . . 0.0 110.101 -179.441 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -37.18 75.13 Favored 'General case' 0 N--CA 1.49 1.527 0 O-C-N 121.419 -0.8 . . . . 0.0 109.057 178.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . 0.451 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 92.9 m-20 -60.09 -33.46 72.13 Favored 'General case' 0 N--CA 1.491 1.588 0 CA-C-O 121.929 0.871 . . . . 0.0 108.885 -179.579 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . 0.425 ' O ' HD12 ' B' ' 57' ' ' ILE . . . -70.04 -37.05 75.47 Favored 'General case' 0 C--N 1.299 -1.599 0 O-C-N 121.673 -0.642 . . . . 0.0 111.499 -179.431 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.43 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 56.9 t -71.3 -55.22 14.59 Favored 'Isoleucine or valine' 0 C--N 1.302 -1.485 0 O-C-N 121.103 -0.998 . . . . 0.0 111.384 -178.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.482 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 25.2 p-10 -65.22 -40.75 94.53 Favored 'General case' 0 C--N 1.293 -1.886 0 O-C-N 120.575 -1.328 . . . . 0.0 111.355 -177.327 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.482 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 3.7 ttpm? -70.05 -40.58 75.01 Favored 'General case' 0 C--N 1.301 -1.503 0 O-C-N 120.984 -1.072 . . . . 0.0 111.096 -178.539 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.496 ' O ' ' N ' ' B' ' 61' ' ' LEU . 97.0 mt -78.53 -55.71 9.23 Favored 'Isoleucine or valine' 0 C--N 1.303 -1.456 0 O-C-N 121.231 -0.918 . . . . 0.0 110.509 -176.741 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -60.05 -45.6 92.29 Favored 'General case' 0 C--N 1.291 -1.951 0 O-C-N 121.797 -0.564 . . . . 0.0 111.691 -178.134 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 82.3 tttt -69.95 -37.97 76.0 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 120.852 -1.155 . . . . 0.0 110.04 -178.767 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.466 ' CG ' ' O ' ' B' ' 56' ' ' LYS . 0.9 OUTLIER -85.02 -17.48 37.39 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.077 -1.014 . . . . 0.0 109.05 179.774 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.496 ' N ' ' O ' ' B' ' 57' ' ' ILE . 7.1 tt -86.61 -14.29 43.19 Favored 'General case' 0 N--CA 1.504 2.237 0 N-CA-C 107.304 -1.369 . . . . 0.0 107.304 179.616 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.655 ' CG ' ' H ' ' B' ' 67' ' ' GLY . 8.6 t70 -94.61 46.71 1.15 Allowed 'General case' 0 N--CA 1.491 1.621 0 N-CA-C 102.816 -3.031 . . . . 0.0 102.816 173.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.487 ' H ' ' C ' ' B' ' 61' ' ' LEU . 46.9 tp10 -44.27 -21.46 0.05 OUTLIER 'General case' 0 C--N 1.29 -1.993 0 CA-C-N 110.485 -3.052 . . . . 0.0 110.861 -177.788 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . . . . . . . . . 81.6 m-20 -85.69 -0.13 54.3 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.543 -1.348 . . . . 0.0 108.02 179.25 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 65.82 31.3 79.31 Favored Glycine 0 N--CA 1.493 2.483 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.284 177.425 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.559 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 4.5 p-10 -97.95 -11.97 22.52 Favored 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.711 -1.464 . . . . 0.0 109.889 178.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.655 ' H ' ' CG ' ' B' ' 62' ' ' ASP . . . 81.36 0.05 88.48 Favored Glycine 0 N--CA 1.496 2.691 0 N-CA-C 109.701 -1.36 . . . . 0.0 109.701 179.609 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.449 ' O ' ' OD1' ' B' ' 62' ' ' ASP . 46.4 mt-10 -124.38 141.99 51.64 Favored 'General case' 0 N--CA 1.482 1.167 0 N-CA-C 108.018 -1.105 . . . . 0.0 108.018 179.703 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 53.5 t -97.11 134.74 33.76 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 CA-C-O 122.171 0.986 . . . . 0.0 110.997 -178.132 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.469 ' OD1' ' CD2' ' B' ' 71' ' ' PHE . 11.0 t70 -87.22 158.41 19.12 Favored 'General case' 0 N--CA 1.488 1.454 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.56 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 46.4 p90 -60.05 -38.37 82.62 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.258 -0.901 . . . . 0.0 110.37 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.56 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -64.97 -39.61 93.74 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.834 -1.166 . . . . 0.0 110.63 -178.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 93.8 mt-10 -68.96 -40.02 79.16 Favored 'General case' 0 N--CA 1.495 1.819 0 O-C-N 120.376 -1.452 . . . . 0.0 110.162 -179.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.401 ' CD1' ' C ' ' B' ' 74' ' ' PHE . 29.8 t80 -67.14 -39.97 86.66 Favored 'General case' 0 N--CA 1.497 1.882 0 O-C-N 121.537 -0.727 . . . . 0.0 112.446 -177.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.2 p -70.65 -32.22 48.71 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.768 0 O-C-N 120.86 -1.15 . . . . 0.0 111.098 -178.17 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 44.0 t -73.39 -60.99 1.87 Allowed 'Isoleucine or valine' 0 N--CA 1.493 1.697 0 O-C-N 120.987 -1.071 . . . . 0.0 112.488 -178.173 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . 0.416 HD22 HD12 ' B' ' 61' ' ' LEU . 6.8 tp -70.18 -40.05 74.89 Favored 'General case' 0 N--CA 1.496 1.86 0 O-C-N 120.897 -1.127 . . . . 0.0 112.487 -176.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.402 ' O ' HG22 ' B' ' 82' ' ' THR . 23.7 t -68.26 -40.01 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.56 0 O-C-N 120.801 -1.187 . . . . 0.0 110.038 -178.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -71.56 -24.26 61.89 Favored 'General case' 0 C--N 1.299 -1.61 0 N-CA-C 108.772 -0.825 . . . . 0.0 108.772 179.068 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -70.45 -21.55 62.79 Favored 'General case' 0 N--CA 1.493 1.676 0 O-C-N 121.458 -0.776 . . . . 0.0 111.931 -179.287 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 20.7 mt -95.09 -36.28 11.58 Favored 'General case' 0 N--CA 1.505 2.279 0 O-C-N 120.673 -1.267 . . . . 0.0 110.44 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.549 ' OG1' ' CE ' ' A' ' 8' ' ' MET . 0.1 OUTLIER -65.08 -44.32 89.26 Favored 'General case' 0 N--CA 1.494 1.746 0 C-N-CA 118.064 -1.455 . . . . 0.0 109.634 -178.868 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.486 HG11 ' CD1' ' A' ' 71' ' ' PHE . 18.2 t -75.65 -43.96 40.64 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 O-C-N 120.944 -1.097 . . . . 0.0 110.283 -179.823 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -61.95 -31.38 71.71 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 121.655 -0.653 . . . . 0.0 110.792 -177.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 42.3 t -73.33 -42.86 61.81 Favored 'General case' 0 C--N 1.299 -1.61 0 O-C-N 121.443 -0.786 . . . . 0.0 111.121 -178.663 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 28.4 m120 -60.12 -40.86 91.2 Favored 'General case' 0 N--CA 1.493 1.72 0 O-C-N 121.234 -0.916 . . . . 0.0 111.26 -178.053 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 -81.41 -31.77 33.05 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 120.895 -1.128 . . . . 0.0 110.311 -179.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -61.84 -40.04 93.94 Favored 'General case' 0 N--CA 1.491 1.581 0 O-C-N 121.168 -0.958 . . . . 0.0 111.653 -178.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . 0.483 ' O ' ' O ' ' B' ' 90' ' ' TRP . 2.8 p90 -83.17 24.06 0.82 Allowed 'General case' 0 N--CA 1.499 2.01 0 O-C-N 120.501 -1.374 . . . . 0.0 110.878 -178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.483 ' O ' ' O ' ' B' ' 89' ' ' PHE . 36.0 t-105 -60.09 -139.96 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.238 -0.914 . . . . 0.0 109.319 179.499 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.411 ' N ' ' CG ' ' B' ' 90' ' ' TRP . 88.1 tt0 -70.13 -9.25 54.98 Favored 'General case' 0 N--CA 1.49 1.546 0 O-C-N 120.966 -1.084 . . . . 0.0 108.31 179.464 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . 0.405 ' O ' ' OXT' ' B' ' 93' ' ' SER . 32.2 p-10 -90.29 6.21 43.95 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.37 -0.831 . . . . 0.0 109.095 179.613 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . 0.405 ' OXT' ' O ' ' B' ' 92' ' ' ASN . 41.8 t . . . . . 0 N--CA 1.49 1.548 0 CA-C-O 118.048 -0.977 . . . . 0.0 109.55 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 43.8 mmtm . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 108.911 -0.774 . . . . 0.0 108.911 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 69.8 mttt -60.15 -41.93 93.79 Favored 'General case' 0 N--CA 1.488 1.448 0 N-CA-C 108.678 -0.86 . . . . 0.0 108.678 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.04 -43.5 98.79 Favored 'General case' 0 C--N 1.303 -1.416 0 O-C-N 121.828 -0.545 . . . . 0.0 109.722 -179.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 54.4 t -62.41 -42.56 96.06 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.671 0 O-C-N 121.195 -0.94 . . . . 0.0 109.28 179.67 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.646 ' HE1' ' HB1' ' A' ' 80' ' ' ALA . 0.9 OUTLIER -60.11 -39.89 87.77 Favored 'General case' 0 N--CA 1.492 1.661 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 179.419 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.97 -39.08 84.44 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.341 -0.85 . . . . 0.0 110.451 -179.186 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 37.9 ttpt -59.82 -49.81 76.25 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 120.77 -1.206 . . . . 0.0 110.033 -178.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . 0.605 HD22 HD11 ' A' ' 57' ' ' ILE . 59.7 tp -67.64 -51.19 52.9 Favored 'General case' 0 N--CA 1.495 1.775 0 O-C-N 120.739 -1.225 . . . . 0.0 109.998 -179.553 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.454 ' CD2' ' N ' ' C' ' 9' ' ' LEU . 1.0 OUTLIER -61.05 -40.21 92.78 Favored 'General case' 0 N--CA 1.491 1.582 0 O-C-N 121.149 -0.969 . . . . 0.0 110.12 -179.153 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 96.7 p -78.52 -51.28 10.2 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.912 -1.118 . . . . 0.0 109.879 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . 0.479 ' O ' ' O ' ' C' ' 12' ' ' GLN . 9.0 tppt? -69.96 -40.09 75.63 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.145 -0.972 . . . . 0.0 109.473 -179.751 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . 0.48 ' N ' ' O ' ' C' ' 8' ' ' LEU . 63.5 tt0 . . . . . 0 N--CA 1.498 1.966 0 CA-C-O 118.384 -0.817 . . . . 0.0 110.223 179.176 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 43.6 mmtm . . . . . 0 N--CA 1.489 1.475 0 N-CA-C 109.027 -0.731 . . . . 0.0 109.027 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 67.5 mttt -60.2 -41.48 93.05 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 108.653 -0.869 . . . . 0.0 108.653 -179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.06 -43.73 98.45 Favored 'General case' 0 C--N 1.301 -1.509 0 O-C-N 121.723 -0.61 . . . . 0.0 109.819 -179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 54.3 t -62.18 -42.78 96.49 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.517 0 O-C-N 121.116 -0.99 . . . . 0.0 109.301 179.688 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . 0.666 ' HE1' ' HB1' ' B' ' 80' ' ' ALA . 0.9 OUTLIER -60.0 -39.96 87.56 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.221 -0.925 . . . . 0.0 108.606 179.563 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -59.92 -39.13 84.42 Favored 'General case' 0 C--N 1.3 -1.547 0 O-C-N 121.409 -0.807 . . . . 0.0 110.484 -179.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 38.2 ttpt -59.95 -49.35 78.01 Favored 'General case' 0 N--CA 1.489 1.476 0 O-C-N 120.779 -1.201 . . . . 0.0 110.101 -178.701 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . 0.534 HD22 HD11 ' B' ' 57' ' ' ILE . 60.0 tp -67.94 -50.71 54.41 Favored 'General case' 0 N--CA 1.495 1.812 0 O-C-N 120.755 -1.216 . . . . 0.0 109.894 -179.516 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.425 ' N ' ' CD2' ' D' ' 9' ' ' LEU . 1.4 mm? -61.13 -40.58 94.36 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 121.332 -0.855 . . . . 0.0 110.016 -179.029 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 95.8 p -78.9 -50.84 10.54 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.956 -1.09 . . . . 0.0 109.808 -179.778 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . 0.469 ' O ' ' O ' ' D' ' 12' ' ' GLN . 8.8 tppt? -70.02 -40.3 75.29 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.179 -0.951 . . . . 0.0 109.424 -179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . 0.52 ' N ' ' O ' ' D' ' 8' ' ' LEU . 63.4 tt0 . . . . . 0 N--CA 1.499 2.005 0 CA-C-O 118.327 -0.844 . . . . 0.0 110.12 179.302 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.852 0 N-CA-C 119.531 2.572 . . . . 0.0 119.531 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.9 p -106.38 -5.17 19.19 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.556 -0.967 . . . . 0.0 108.755 178.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.48 ' O ' ' OG1' ' A' ' 6' ' ' THR . 72.6 mm-40 -69.34 -51.12 40.09 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 121.297 -0.877 . . . . 0.0 109.789 179.688 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.487 HD13 HD23 ' B' ' 11' ' ' LEU . 11.1 tp -59.26 -39.88 84.23 Favored 'General case' 0 C--N 1.296 -1.724 0 O-C-N 121.191 -0.943 . . . . 0.0 109.726 -177.384 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 85.4 tt0 -52.46 -49.53 64.46 Favored 'General case' 0 N--CA 1.495 1.782 0 CA-C-O 122.252 1.025 . . . . 0.0 109.036 178.479 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.48 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 42.4 p -63.4 -34.25 77.31 Favored 'General case' 0 C--O 1.2 -1.55 0 O-C-N 121.661 -0.649 . . . . 0.0 110.518 -179.829 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.461 ' HB2' ' CG2' ' B' ' 10' ' ' THR . . . -49.36 -51.44 34.65 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 121.559 -0.713 . . . . 0.0 110.034 -179.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.619 ' CE ' HD21 ' B' ' 86' ' ' ASN . 28.0 ttt -59.98 -40.15 88.15 Favored 'General case' 0 C--N 1.302 -1.471 0 O-C-N 120.804 -1.185 . . . . 0.0 109.313 -179.848 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 89.0 tt0 -60.33 -40.97 92.55 Favored 'General case' 0 N--CA 1.5 2.075 0 O-C-N 121.253 -0.905 . . . . 0.0 112.065 -179.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.47 ' OG1' ' C ' ' B' ' 3' ' ' GLU . 0.0 OUTLIER -72.74 -43.08 63.38 Favored 'General case' 0 N--CA 1.502 2.137 0 O-C-N 120.855 -1.153 . . . . 0.0 111.093 -177.81 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.49 HD23 HD13 ' B' ' 4' ' ' LEU . 88.4 mt -56.52 -41.27 76.44 Favored 'General case' 0 C--N 1.303 -1.453 0 O-C-N 121.534 -0.729 . . . . 0.0 109.86 -178.341 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 53.4 mt -78.94 -27.15 13.49 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.756 0 O-C-N 121.454 -0.779 . . . . 0.0 111.649 -178.425 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 20.2 t-20 -62.5 -40.18 95.9 Favored 'General case' 0 C--N 1.297 -1.692 0 O-C-N 120.241 -1.537 . . . . 0.0 109.443 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 15.0 m -84.46 -33.27 8.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 C-N-CA 120.361 -0.535 . . . . 0.0 111.607 -179.167 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -60.11 -54.79 41.78 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.133 -0.979 . . . . 0.0 110.633 -178.646 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 38.8 m170 -73.78 -23.12 59.67 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.852 -0.53 . . . . 0.0 111.32 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.17 -61.64 1.83 Allowed 'General case' 0 N--CA 1.489 1.478 0 O-C-N 120.462 -1.398 . . . . 0.0 111.514 -178.32 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 77.7 m80 -69.88 -39.99 75.96 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 120.614 -1.304 . . . . 0.0 112.118 -176.528 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.631 ' OG ' HD11 ' A' ' 28' ' ' LEU . 57.7 m -57.72 -20.88 37.52 Favored 'General case' 0 N--CA 1.493 1.694 0 O-C-N 121.047 -1.033 . . . . 0.0 111.578 -177.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.32 20.88 15.71 Favored Glycine 0 N--CA 1.502 3.036 0 N-CA-C 110.095 -1.202 . . . . 0.0 110.095 -179.191 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.78 -46.66 52.15 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.748 -1.443 . . . . 0.0 108.406 179.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 19.2 pt-20 -145.84 13.47 1.32 Allowed 'General case' 0 N--CA 1.493 1.725 0 N-CA-C 108.703 -0.851 . . . . 0.0 108.703 179.116 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -94.22 -161.2 34.9 Favored Glycine 0 N--CA 1.497 2.72 0 N-CA-C 110.648 -0.981 . . . . 0.0 110.648 -179.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.416 ' O ' ' N ' ' A' ' 26' ' ' TYR . 88.2 m-20 -96.55 178.12 5.45 Favored 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.557 -0.967 . . . . 0.0 109.82 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -46.52 94.47 0.01 OUTLIER 'General case' 0 N--CA 1.493 1.695 0 CA-C-O 121.697 0.76 . . . . 0.0 111.159 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.416 ' N ' ' O ' ' A' ' 24' ' ' ASP . 57.1 m-85 41.4 65.03 0.9 Allowed 'General case' 0 N--CA 1.495 1.811 0 CA-C-O 121.909 0.861 . . . . 0.0 111.325 179.187 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . 0.426 ' C ' HD22 ' A' ' 28' ' ' LEU . 31.3 tptt -139.38 139.44 37.18 Favored 'General case' 0 N--CA 1.492 1.672 0 N-CA-C 105.522 -2.029 . . . . 0.0 105.522 176.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.631 HD11 ' OG ' ' A' ' 19' ' ' SER . 3.2 mm? -97.79 152.59 19.0 Favored 'General case' 0 N--CA 1.499 2.017 0 O-C-N 120.499 -1.375 . . . . 0.0 109.866 -178.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.527 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 79.7 p -130.9 163.18 28.02 Favored 'General case' 0 C--N 1.293 -1.859 0 N-CA-C 106.902 -1.518 . . . . 0.0 106.902 178.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . 0.403 ' C ' ' O ' ' A' ' 29' ' ' SER . 62.6 tttt -47.1 -39.91 14.21 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.938 -1.102 . . . . 0.0 109.706 179.335 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 8.2 ttpm? -70.06 -38.81 75.89 Favored 'General case' 0 N--CA 1.497 1.899 0 O-C-N 121.425 -0.797 . . . . 0.0 111.84 -179.182 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.527 ' HB2' ' H ' ' A' ' 29' ' ' SER . 31.8 mt-10 -70.12 -38.3 75.55 Favored 'General case' 0 N--CA 1.49 1.528 0 O-C-N 120.917 -1.114 . . . . 0.0 108.433 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 39.5 tp -60.12 -50.87 71.97 Favored 'General case' 0 N--CA 1.495 1.792 0 N-CA-C 113.043 0.757 . . . . 0.0 113.043 -178.327 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -69.16 -35.18 76.05 Favored 'General case' 0 N--CA 1.499 2.003 0 O-C-N 120.741 -1.224 . . . . 0.0 112.522 -176.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 55.1 t0 -71.29 -35.91 71.48 Favored 'General case' 0 C--N 1.298 -1.666 0 O-C-N 120.31 -1.494 . . . . 0.0 108.621 179.689 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.47 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 57.4 tp -65.96 -40.09 90.98 Favored 'General case' 0 C--N 1.296 -1.723 0 O-C-N 121.804 -0.56 . . . . 0.0 112.116 -178.811 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.527 HD21 ' CE1' ' A' ' 74' ' ' PHE . 94.0 mt -85.02 -39.86 17.54 Favored 'General case' 0 N--CA 1.503 2.191 0 O-C-N 120.504 -1.373 . . . . 0.0 113.11 -177.826 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.475 ' NE2' ' OG1' ' A' ' 39' ' ' THR . 1.3 pp0? -63.9 -38.83 92.53 Favored 'General case' 0 C--N 1.3 -1.582 0 O-C-N 120.803 -1.185 . . . . 0.0 110.169 -178.121 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.475 ' OG1' ' NE2' ' A' ' 38' ' ' GLN . 95.6 m -72.43 -49.66 31.93 Favored 'General case' 0 C--N 1.296 -1.757 0 C-N-CA 120.088 -0.645 . . . . 0.0 111.408 -178.027 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.47 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 22.4 mp0 -82.21 -52.02 7.37 Favored 'General case' 0 C--N 1.299 -1.594 0 O-C-N 121.173 -0.954 . . . . 0.0 111.278 -178.645 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 10.9 mt -102.63 77.81 1.64 Allowed 'General case' 0 N--CA 1.501 2.091 0 O-C-N 121.337 -0.852 . . . . 0.0 108.905 -179.501 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.3 m -86.24 -21.9 27.16 Favored 'General case' 0 N--CA 1.494 1.764 0 N-CA-C 112.967 0.728 . . . . 0.0 112.967 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 21.0 t -117.31 2.51 12.53 Favored 'General case' 0 N--CA 1.512 2.638 0 O-C-N 120.627 -1.296 . . . . 0.0 112.52 -177.537 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 99.2 m-85 -120.05 -45.5 2.46 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.826 -1.171 . . . . 0.0 109.555 -179.739 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -109.94 137.65 47.42 Favored 'General case' 0 N--CA 1.493 1.724 0 N-CA-C 106.91 -1.515 . . . . 0.0 106.91 179.195 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -122.85 157.35 32.69 Favored 'General case' 0 N--CA 1.497 1.921 0 O-C-N 120.886 -1.134 . . . . 0.0 110.292 -178.667 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.526 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 30.8 m -156.53 -36.35 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.301 -1.527 0 N-CA-C 107.313 -1.366 . . . . 0.0 107.313 179.125 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.473 ' N ' HG23 ' A' ' 47' ' ' VAL . 14.8 pt20 -88.11 -29.46 20.58 Favored 'General case' 0 N--CA 1.492 1.646 0 O-C-N 120.905 -1.122 . . . . 0.0 110.893 -179.127 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.4 mtmt -61.34 -40.0 92.64 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 120.818 -1.176 . . . . 0.0 108.969 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 80.0 m-20 -123.55 113.25 18.47 Favored 'General case' 0 N--CA 1.498 1.952 0 CA-C-O 121.261 0.553 . . . . 0.0 110.371 -179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.48 -34.58 77.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.063 -1.023 . . . . 0.0 108.636 178.541 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -60.67 -36.74 79.47 Favored 'General case' 0 C--N 1.303 -1.423 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 179.248 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.04 84.49 Favored 'General case' 0 C--N 1.299 -1.618 0 O-C-N 120.918 -1.114 . . . . 0.0 110.396 179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.526 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 32.9 t -69.82 -57.82 7.22 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.722 0 O-C-N 121.371 -0.831 . . . . 0.0 111.936 -178.062 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.401 ' C ' ' OD1' ' A' ' 55' ' ' ASP . 49.3 t0 -60.11 -42.54 94.92 Favored 'General case' 0 C--N 1.291 -1.971 0 O-C-N 120.581 -1.325 . . . . 0.0 111.579 -176.725 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 6.1 mptp? -70.14 -37.34 75.25 Favored 'General case' 0 C--N 1.294 -1.807 0 O-C-N 121.038 -1.038 . . . . 0.0 111.592 -177.671 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.605 HD11 HD22 ' C' ' 8' ' ' LEU . 82.2 mt -81.08 -53.96 11.22 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.809 -1.182 . . . . 0.0 110.748 -177.273 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.94 -49.19 78.66 Favored 'General case' 0 C--N 1.293 -1.89 0 O-C-N 121.78 -0.575 . . . . 0.0 111.475 -178.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 20.2 tptm -65.28 -39.94 93.23 Favored 'General case' 0 C--N 1.299 -1.604 0 O-C-N 120.905 -1.122 . . . . 0.0 110.439 -178.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 99.9 mt-10 -86.55 -16.9 35.44 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.822 -1.174 . . . . 0.0 109.54 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.568 ' C ' ' H ' ' A' ' 63' ' ' GLU . 59.7 tp -83.47 -22.12 32.65 Favored 'General case' 0 N--CA 1.501 2.106 0 N-CA-C 106.502 -1.666 . . . . 0.0 106.502 179.661 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.612 ' O ' ' N ' ' A' ' 65' ' ' GLY . 39.0 t0 -87.88 47.54 1.52 Allowed 'General case' 0 N--CA 1.489 1.504 0 N-CA-C 103.176 -2.898 . . . . 0.0 103.176 173.815 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.568 ' H ' ' C ' ' A' ' 61' ' ' LEU . 87.8 tt0 -39.19 -18.81 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.112 0 CA-C-N 111.516 -2.583 . . . . 0.0 110.547 -177.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.539 ' N ' ' O ' ' A' ' 62' ' ' ASP . 88.6 m-20 -86.73 0.76 54.08 Favored 'General case' 0 N--CA 1.497 1.907 0 O-C-N 120.737 -1.227 . . . . 0.0 108.189 178.776 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.612 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 59.5 37.35 92.0 Favored Glycine 0 N--CA 1.495 2.598 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.916 177.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.483 ' OD1' ' O ' ' A' ' 68' ' ' GLU . 2.7 p30 -104.15 -8.59 19.32 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 120.94 -1.33 . . . . 0.0 110.607 179.485 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . 0.551 ' N ' ' OD2' ' A' ' 62' ' ' ASP . . . 82.59 -10.44 55.87 Favored Glycine 0 N--CA 1.5 2.904 0 O-C-N 120.668 -1.27 . . . . 0.0 110.618 178.607 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.558 ' N ' ' OD2' ' A' ' 62' ' ' ASP . 95.5 mt-10 -116.01 145.21 43.16 Favored 'General case' 0 C--N 1.313 -1.009 0 N-CA-C 107.836 -1.172 . . . . 0.0 107.836 179.569 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 74.5 t -103.83 130.46 54.34 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.943 0 O-C-N 121.216 -0.928 . . . . 0.0 110.406 -178.122 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -80.99 160.12 24.68 Favored 'General case' 0 C--N 1.3 -1.58 0 N-CA-C 107.896 -1.15 . . . . 0.0 107.896 178.432 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 52.9 p90 -59.97 -38.85 83.71 Favored 'General case' 0 C--N 1.297 -1.695 0 O-C-N 120.97 -1.081 . . . . 0.0 110.023 -179.147 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.497 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.0 tt0 -63.55 -40.18 96.33 Favored 'General case' 0 N--CA 1.498 1.927 0 O-C-N 121.012 -1.055 . . . . 0.0 111.379 -178.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 91.7 mt-10 -68.55 -39.77 80.94 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 120.581 -1.324 . . . . 0.0 110.462 -178.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.738 ' O ' HG22 ' A' ' 78' ' ' VAL . 37.9 t80 -63.77 -52.89 58.32 Favored 'General case' 0 C--N 1.298 -1.662 0 O-C-N 121.59 -0.694 . . . . 0.0 112.467 -178.297 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 8.0 p -60.01 -33.89 54.54 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.723 0 O-C-N 121.839 -0.538 . . . . 0.0 111.826 -177.308 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.8 t -69.9 -59.12 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.727 0 O-C-N 121.043 -1.035 . . . . 0.0 112.206 -177.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 7.7 tt -68.61 -39.91 80.63 Favored 'General case' 0 N--CA 1.499 2.023 0 O-C-N 120.648 -1.282 . . . . 0.0 112.845 -176.387 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . 0.738 HG22 ' O ' ' A' ' 74' ' ' PHE . 21.4 m -65.02 -39.14 84.68 Favored 'Isoleucine or valine' 0 C--N 1.292 -1.933 0 O-C-N 120.885 -1.135 . . . . 0.0 111.3 -177.415 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . 0.549 ' N ' HG23 ' A' ' 78' ' ' VAL . . . -76.07 -24.98 55.11 Favored 'General case' 0 C--N 1.296 -1.722 0 O-C-N 121.417 -0.802 . . . . 0.0 109.86 -179.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . 0.646 ' HB1' ' HE1' ' C' ' 5' ' ' TRP . . . -69.96 -27.81 65.04 Favored 'General case' 0 N--CA 1.49 1.571 0 O-C-N 120.856 -1.152 . . . . 0.0 109.896 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.442 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 56.5 mt -88.19 -36.14 16.97 Favored 'General case' 0 N--CA 1.5 2.042 0 O-C-N 121.032 -1.043 . . . . 0.0 110.191 -179.34 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.477 HG23 ' N ' ' A' ' 83' ' ' VAL . 5.3 t -66.07 -48.42 71.07 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.858 -1.151 . . . . 0.0 109.804 -179.471 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.477 ' N ' HG23 ' A' ' 82' ' ' THR . 46.1 t -70.53 -41.59 78.07 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.805 0 O-C-N 120.768 -1.207 . . . . 0.0 109.905 179.493 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.31 -31.01 71.56 Favored 'General case' 0 C--N 1.298 -1.636 0 C-N-CA 120.07 -0.652 . . . . 0.0 110.381 -178.008 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.442 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.7 m -63.89 -40.12 95.78 Favored 'General case' 0 C--N 1.301 -1.506 0 O-C-N 121.224 -0.922 . . . . 0.0 109.259 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . 0.677 HD21 ' CE ' ' B' ' 8' ' ' MET . 82.3 m-20 -70.0 -30.25 67.53 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.47 -0.769 . . . . 0.0 109.602 179.831 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -60.03 -39.97 87.72 Favored 'General case' 0 C--N 1.301 -1.526 0 O-C-N 121.579 -0.7 . . . . 0.0 111.027 -178.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -80.18 -69.82 0.56 Allowed 'General case' 0 N--CA 1.492 1.666 0 O-C-N 120.816 -1.178 . . . . 0.0 110.48 -178.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 20.4 p90 177.85 27.07 0.0 OUTLIER 'General case' 0 N--CA 1.499 1.984 0 O-C-N 121.364 -0.835 . . . . 0.0 109.967 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -60.0 -40.08 87.96 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 120.926 -1.109 . . . . 0.0 109.229 -179.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 98.9 mt-10 -68.05 -16.96 64.25 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.341 -0.85 . . . . 0.0 109.829 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 14.1 t-20 -69.46 -18.19 63.69 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.224 -0.923 . . . . 0.0 108.545 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 39.2 t . . . . . 0 N--CA 1.489 1.523 0 CA-C-O 118.103 -0.951 . . . . 0.0 109.349 179.64 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.864 0 N-CA-C 119.506 2.562 . . . . 0.0 119.506 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -106.24 -5.23 19.35 Favored 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.555 -0.968 . . . . 0.0 108.86 179.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.47 ' C ' ' OG1' ' A' ' 10' ' ' THR . 72.4 mm-40 -69.25 -51.25 39.44 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 121.323 -0.861 . . . . 0.0 109.612 179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.49 HD13 HD23 ' A' ' 11' ' ' LEU . 12.9 tp -59.57 -39.62 84.67 Favored 'General case' 0 C--N 1.296 -1.742 0 O-C-N 120.954 -1.091 . . . . 0.0 109.77 -177.464 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 86.1 tt0 -52.74 -49.04 66.24 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 122.295 1.045 . . . . 0.0 109.015 178.283 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.467 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 41.8 p -63.77 -32.61 74.17 Favored 'General case' 0 C--N 1.296 -1.721 0 O-C-N 121.63 -0.669 . . . . 0.0 110.447 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . . . . . . . . . . . -51.76 -50.04 61.43 Favored 'General case' 0 N--CA 1.494 1.734 0 CA-C-O 121.683 0.754 . . . . 0.0 109.992 -177.23 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.677 ' CE ' HD21 ' A' ' 86' ' ' ASN . 27.9 ttt -60.09 -40.1 88.41 Favored 'General case' 0 C--N 1.306 -1.312 0 O-C-N 120.921 -1.112 . . . . 0.0 108.938 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 87.1 tt0 -60.06 -41.82 93.2 Favored 'General case' 0 N--CA 1.501 2.115 0 O-C-N 121.315 -0.866 . . . . 0.0 111.879 -179.523 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.478 ' OG1' ' C ' ' A' ' 3' ' ' GLU . 0.0 OUTLIER -72.33 -43.45 64.11 Favored 'General case' 0 N--CA 1.5 2.043 0 O-C-N 120.889 -1.132 . . . . 0.0 111.171 -177.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.487 HD23 HD13 ' A' ' 4' ' ' LEU . 88.2 mt -56.06 -41.06 74.47 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.609 -0.682 . . . . 0.0 110.119 -178.271 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 52.2 mt -78.38 -29.67 15.17 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.806 0 O-C-N 121.595 -0.691 . . . . 0.0 111.233 -178.29 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 20.3 t-20 -60.34 -40.02 89.18 Favored 'General case' 0 C--N 1.294 -1.842 0 O-C-N 120.486 -1.384 . . . . 0.0 109.521 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . . . . . . . . . 15.1 m -84.98 -33.46 8.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 121.692 -0.63 . . . . 0.0 111.361 -178.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -59.94 -54.57 44.55 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.154 -0.966 . . . . 0.0 110.522 -178.177 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 41.5 m170 -73.9 -22.61 59.64 Favored 'General case' 0 C--N 1.298 -1.67 0 O-C-N 121.808 -0.558 . . . . 0.0 111.35 -178.214 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -75.58 -61.8 1.79 Allowed 'General case' 0 N--CA 1.488 1.443 0 O-C-N 120.454 -1.404 . . . . 0.0 111.409 -178.265 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 77.6 m80 -69.98 -39.93 75.65 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 120.62 -1.3 . . . . 0.0 112.074 -176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.623 ' OG ' HD11 ' B' ' 28' ' ' LEU . 60.1 m -57.82 -20.35 35.23 Favored 'General case' 0 N--CA 1.493 1.703 0 O-C-N 121.112 -0.992 . . . . 0.0 111.582 -177.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -114.42 20.52 15.83 Favored Glycine 0 N--CA 1.5 2.915 0 N-CA-C 110.086 -1.206 . . . . 0.0 110.086 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 3.8 tppp? -72.67 -46.96 51.2 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 120.697 -1.472 . . . . 0.0 108.442 179.504 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 18.8 pt-20 -145.44 13.5 1.39 Allowed 'General case' 0 N--CA 1.492 1.638 0 N-CA-C 108.728 -0.842 . . . . 0.0 108.728 178.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -93.72 -161.26 35.41 Favored Glycine 0 N--CA 1.496 2.667 0 N-CA-C 110.675 -0.97 . . . . 0.0 110.675 -179.241 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' B' ' 26' ' ' TYR . 88.6 m-20 -96.59 178.55 5.3 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.607 -0.937 . . . . 0.0 109.756 179.878 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -46.87 94.36 0.01 OUTLIER 'General case' 0 N--CA 1.495 1.807 0 CA-C-O 121.707 0.765 . . . . 0.0 111.005 -179.069 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.413 ' N ' ' O ' ' B' ' 24' ' ' ASP . 57.7 m-85 41.32 65.19 0.87 Allowed 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.941 0.877 . . . . 0.0 111.316 179.092 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . 0.451 ' NZ ' ' OD1' ' B' ' 70' ' ' ASP . 31.6 tptt -139.47 139.77 37.09 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 105.567 -2.012 . . . . 0.0 105.567 176.705 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.623 HD11 ' OG ' ' B' ' 19' ' ' SER . 3.3 mm? -98.24 152.33 19.52 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 120.542 -1.349 . . . . 0.0 109.864 -178.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.521 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 79.3 p -130.39 163.6 26.55 Favored 'General case' 0 C--N 1.293 -1.848 0 N-CA-C 106.828 -1.545 . . . . 0.0 106.828 179.048 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 67.5 tttt -47.69 -40.17 19.39 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.968 -1.083 . . . . 0.0 109.713 179.299 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . . . . . . . . . 8.3 ttpm? -70.04 -38.05 75.73 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.331 -0.855 . . . . 0.0 112.008 -179.496 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.521 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.0 mt-10 -70.21 -38.76 75.34 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.82 -1.175 . . . . 0.0 108.473 179.307 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 36.5 tp -59.99 -51.06 71.29 Favored 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -178.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 16.3 ptmt -68.82 -35.52 77.09 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.644 -1.285 . . . . 0.0 112.607 -176.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . . . . . . . . . 54.7 t0 -71.0 -35.54 72.11 Favored 'General case' 0 C--N 1.298 -1.643 0 O-C-N 120.342 -1.474 . . . . 0.0 108.888 179.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.46 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 56.4 tp -66.34 -40.06 89.61 Favored 'General case' 0 C--N 1.297 -1.699 0 O-C-N 121.783 -0.573 . . . . 0.0 112.104 -178.733 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.519 HD21 ' CE1' ' B' ' 74' ' ' PHE . 95.9 mt -84.8 -40.21 17.47 Favored 'General case' 0 N--CA 1.503 2.203 0 O-C-N 120.601 -1.312 . . . . 0.0 113.081 -177.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.483 ' NE2' ' OG1' ' B' ' 39' ' ' THR . 1.3 pp0? -63.72 -38.59 91.66 Favored 'General case' 0 C--N 1.298 -1.646 0 O-C-N 120.886 -1.134 . . . . 0.0 110.238 -178.015 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.483 ' OG1' ' NE2' ' B' ' 38' ' ' GLN . 94.4 m -72.67 -50.0 27.85 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 120.01 -0.676 . . . . 0.0 111.243 -177.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.46 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 22.8 mp0 -81.91 -52.01 7.51 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.129 -0.982 . . . . 0.0 111.3 -178.806 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 11.8 mt -102.6 77.8 1.65 Allowed 'General case' 0 N--CA 1.501 2.112 0 O-C-N 121.164 -0.96 . . . . 0.0 108.912 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 47.5 m -86.14 -21.73 27.43 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 113.111 0.782 . . . . 0.0 113.111 -178.063 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 22.9 t -118.1 3.22 12.08 Favored 'General case' 0 N--CA 1.511 2.612 0 O-C-N 120.748 -1.22 . . . . 0.0 112.392 -177.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -120.38 -45.17 2.44 Favored 'General case' 0 N--CA 1.508 2.428 0 O-C-N 120.778 -1.201 . . . . 0.0 109.582 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -110.14 137.7 47.53 Favored 'General case' 0 N--CA 1.494 1.734 0 N-CA-C 106.808 -1.552 . . . . 0.0 106.808 179.208 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 40.7 p-10 -123.09 156.76 34.3 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.746 -1.221 . . . . 0.0 110.224 -178.599 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.531 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 29.1 m -155.87 -36.09 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.484 0 N-CA-C 107.397 -1.334 . . . . 0.0 107.397 179.14 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.469 ' N ' HG23 ' B' ' 47' ' ' VAL . 14.5 pt20 -88.39 -29.41 20.27 Favored 'General case' 0 N--CA 1.492 1.627 0 O-C-N 121.089 -1.007 . . . . 0.0 110.92 -179.035 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 53.2 mtmt -61.62 -39.97 93.19 Favored 'General case' 0 N--CA 1.488 1.465 0 O-C-N 120.799 -1.188 . . . . 0.0 108.869 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -123.35 113.32 18.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 121.252 0.549 . . . . 0.0 110.295 -179.169 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -67.84 -34.05 75.96 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.077 -1.015 . . . . 0.0 108.63 178.672 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -61.09 -36.33 79.38 Favored 'General case' 0 C--N 1.303 -1.449 0 N-CA-C 108.453 -0.943 . . . . 0.0 108.453 179.288 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -61.22 -36.3 79.56 Favored 'General case' 0 C--N 1.298 -1.635 0 O-C-N 120.914 -1.116 . . . . 0.0 110.75 179.462 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.531 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 25.8 t -71.75 -57.63 6.97 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.609 0 O-C-N 121.153 -0.967 . . . . 0.0 111.823 -178.867 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . . . . . . . . . 48.7 t0 -60.26 -42.49 95.48 Favored 'General case' 0 C--N 1.291 -1.945 0 O-C-N 120.663 -1.273 . . . . 0.0 111.438 -176.461 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . . . . . . . . . 6.0 mptp? -70.27 -37.05 74.79 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.153 -0.967 . . . . 0.0 111.774 -177.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.534 HD11 HD22 ' D' ' 8' ' ' LEU . 81.6 mt -81.16 -53.91 11.3 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.497 0 O-C-N 120.675 -1.266 . . . . 0.0 110.704 -177.389 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 6.1 tpt -59.93 -48.8 80.2 Favored 'General case' 0 C--N 1.295 -1.804 0 O-C-N 121.675 -0.641 . . . . 0.0 111.483 -178.381 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 20.3 tptm -65.9 -39.6 90.74 Favored 'General case' 0 C--N 1.299 -1.626 0 O-C-N 120.961 -1.087 . . . . 0.0 110.429 -178.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 98.1 mt-10 -86.63 -17.05 34.82 Favored 'General case' 0 N--CA 1.493 1.682 0 O-C-N 120.822 -1.174 . . . . 0.0 109.517 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.567 ' C ' ' H ' ' B' ' 63' ' ' GLU . 60.8 tp -83.36 -21.98 32.94 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 106.617 -1.623 . . . . 0.0 106.617 179.595 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.571 ' OD2' ' N ' ' B' ' 68' ' ' GLU . 38.8 t0 -88.27 47.88 1.56 Allowed 'General case' 0 N--CA 1.491 1.605 0 N-CA-C 103.06 -2.941 . . . . 0.0 103.06 173.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.567 ' H ' ' C ' ' B' ' 61' ' ' LEU . 88.9 tt0 -39.52 -18.77 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.1 0 CA-C-N 111.222 -2.717 . . . . 0.0 110.544 -177.6 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.525 ' N ' ' O ' ' B' ' 62' ' ' ASP . 87.5 m-20 -86.77 0.74 54.19 Favored 'General case' 0 N--CA 1.497 1.913 0 O-C-N 120.732 -1.23 . . . . 0.0 108.203 178.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.563 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 59.87 36.21 89.3 Favored Glycine 0 N--CA 1.496 2.658 0 CA-C-N 115.873 -0.603 . . . . 0.0 112.061 177.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.472 ' OD1' ' O ' ' B' ' 68' ' ' GLU . 2.7 p30 -103.08 -8.48 20.5 Favored 'General case' 0 N--CA 1.505 2.324 0 O-C-N 120.994 -1.298 . . . . 0.0 110.557 179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . 0.555 ' N ' ' OD2' ' B' ' 62' ' ' ASP . . . 82.15 -10.05 55.11 Favored Glycine 0 N--CA 1.496 2.675 0 O-C-N 120.672 -1.268 . . . . 0.0 110.608 178.694 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.571 ' N ' ' OD2' ' B' ' 62' ' ' ASP . 95.0 mt-10 -116.42 144.25 44.54 Favored 'General case' 0 N--CA 1.475 0.817 0 N-CA-C 107.902 -1.147 . . . . 0.0 107.902 179.74 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 78.0 t -101.9 130.69 51.22 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.123 0 O-C-N 121.231 -0.918 . . . . 0.0 110.704 -177.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.451 ' OD1' ' NZ ' ' B' ' 27' ' ' LYS . 94.9 m-20 -81.27 160.11 24.32 Favored 'General case' 0 C--N 1.301 -1.514 0 N-CA-C 107.825 -1.176 . . . . 0.0 107.825 178.391 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.487 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 53.2 p90 -60.04 -38.73 83.62 Favored 'General case' 0 C--N 1.297 -1.677 0 O-C-N 120.905 -1.122 . . . . 0.0 110.06 -179.251 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.487 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 62.9 tt0 -63.52 -40.21 96.46 Favored 'General case' 0 N--CA 1.497 1.894 0 O-C-N 121.026 -1.046 . . . . 0.0 111.473 -178.785 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 91.4 mt-10 -68.41 -40.05 81.39 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.6 -1.313 . . . . 0.0 110.343 -178.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.714 ' O ' HG22 ' B' ' 78' ' ' VAL . 36.2 t80 -63.83 -52.54 59.67 Favored 'General case' 0 C--N 1.298 -1.652 0 O-C-N 121.574 -0.704 . . . . 0.0 112.466 -178.193 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 8.5 p -60.01 -34.58 56.96 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.733 0 O-C-N 121.694 -0.629 . . . . 0.0 111.641 -177.332 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 75.3 t -69.48 -59.44 3.55 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.639 0 O-C-N 120.968 -1.083 . . . . 0.0 112.238 -177.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.5 tt -68.07 -40.09 82.81 Favored 'General case' 0 N--CA 1.501 2.103 0 O-C-N 120.664 -1.272 . . . . 0.0 112.927 -176.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . 0.714 HG22 ' O ' ' B' ' 74' ' ' PHE . 18.6 m -65.54 -38.24 81.94 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.969 0 O-C-N 120.84 -1.162 . . . . 0.0 111.458 -177.342 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . 0.526 ' N ' HG23 ' B' ' 78' ' ' VAL . . . -76.69 -25.19 53.38 Favored 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.303 -0.873 . . . . 0.0 109.839 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . 0.666 ' HB1' ' HE1' ' D' ' 5' ' ' TRP . . . -71.77 -21.03 61.79 Favored 'General case' 0 C--N 1.297 -1.711 0 O-C-N 120.78 -1.2 . . . . 0.0 110.669 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.474 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 63.2 mt -94.02 -35.44 12.61 Favored 'General case' 0 N--CA 1.498 1.973 0 O-C-N 120.913 -1.117 . . . . 0.0 109.354 179.619 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.463 HG23 ' N ' ' B' ' 83' ' ' VAL . 5.2 t -66.46 -48.09 71.02 Favored 'General case' 0 C--N 1.296 -1.73 0 C-N-CA 118.857 -1.137 . . . . 0.0 109.609 -179.677 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.463 ' N ' HG23 ' B' ' 82' ' ' THR . 46.3 t -71.05 -41.68 76.48 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.789 0 O-C-N 120.832 -1.167 . . . . 0.0 109.919 179.598 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -62.13 -31.26 71.72 Favored 'General case' 0 C--N 1.299 -1.619 0 C-N-CA 119.979 -0.688 . . . . 0.0 110.385 -178.12 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.474 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 57.1 m -63.61 -40.11 96.08 Favored 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.232 -0.917 . . . . 0.0 109.367 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . 0.619 HD21 ' CE ' ' A' ' 8' ' ' MET . 82.3 m-20 -70.01 -30.38 67.68 Favored 'General case' 0 N--CA 1.491 1.609 0 O-C-N 121.501 -0.749 . . . . 0.0 109.609 179.565 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 39.8 t30 -59.98 -40.09 87.94 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.638 -0.664 . . . . 0.0 110.927 -178.45 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 83.6 m-85 -79.95 -70.01 0.55 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 120.782 -1.199 . . . . 0.0 110.439 -178.894 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 20.6 p90 177.62 27.17 0.0 OUTLIER 'General case' 0 N--CA 1.501 2.096 0 O-C-N 121.368 -0.832 . . . . 0.0 109.987 -179.774 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 74.9 t-105 -59.94 -39.95 87.27 Favored 'General case' 0 C--N 1.299 -1.589 0 O-C-N 120.979 -1.075 . . . . 0.0 109.301 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 98.8 mt-10 -68.43 -16.87 64.06 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.346 -0.846 . . . . 0.0 109.566 -179.585 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -69.42 -18.48 63.75 Favored 'General case' 0 N--CA 1.49 1.56 0 O-C-N 121.188 -0.945 . . . . 0.0 108.531 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 44.9 t . . . . . 0 N--CA 1.487 1.422 0 CA-C-O 118.15 -0.928 . . . . 0.0 109.29 179.795 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . . . . . . . . . 93.9 mttt . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.559 -0.534 . . . . 0.0 109.559 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 46.0 mttm -60.65 -41.53 95.17 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.131 -0.98 . . . . 0.0 108.802 -179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -62.13 -42.24 99.04 Favored 'General case' 0 C--N 1.301 -1.518 0 O-C-N 121.856 -0.527 . . . . 0.0 109.877 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 55.1 t -61.61 -44.83 99.3 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.27 -0.894 . . . . 0.0 109.725 179.595 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -67.1 -35.26 79.4 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.333 -0.855 . . . . 0.0 109.805 179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 49.9 m170 -60.04 -39.93 87.6 Favored 'General case' 0 N--CA 1.489 1.49 0 O-C-N 121.065 -1.022 . . . . 0.0 110.223 -178.436 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . . . . . . . . . 47.7 mtmt -64.5 -49.03 72.97 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 120.85 -1.156 . . . . 0.0 110.196 179.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 56.3 tp -70.06 -42.78 72.4 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.365 -0.835 . . . . 0.0 110.957 -178.234 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -67.74 -39.99 84.2 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 120.997 -1.065 . . . . 0.0 109.13 -179.666 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 15.1 t -66.45 -40.4 89.4 Favored 'General case' 0 N--CA 1.49 1.573 0 O-C-N 121.158 -0.964 . . . . 0.0 109.326 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 15.1 tptt -67.18 -40.01 86.52 Favored 'General case' 0 C--N 1.304 -1.391 0 O-C-N 121.449 -0.782 . . . . 0.0 109.637 -179.402 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 20.3 tm0? . . . . . 0 N--CA 1.492 1.674 0 CA-C-O 118.08 -0.962 . . . . 0.0 109.543 -179.327 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 93.4 mttt . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.603 -0.517 . . . . 0.0 109.603 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 45.2 mttm -60.04 -41.74 92.91 Favored 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.157 -0.965 . . . . 0.0 108.915 -179.776 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.76 -42.61 99.2 Favored 'General case' 0 C--N 1.303 -1.423 0 CA-C-O 121.294 0.568 . . . . 0.0 109.928 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 55.9 t -61.31 -44.87 99.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 O-C-N 121.179 -0.951 . . . . 0.0 109.724 179.641 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . . . . . . . . . 1.2 m-90 -67.3 -35.28 79.12 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.307 -0.871 . . . . 0.0 109.692 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 49.4 m170 -59.99 -40.05 87.82 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.191 -0.943 . . . . 0.0 110.19 -178.377 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 48.1 mtmt -64.4 -49.21 72.47 Favored 'General case' 0 N--CA 1.492 1.66 0 O-C-N 120.767 -1.208 . . . . 0.0 110.134 179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 59.8 tp -70.04 -42.77 72.47 Favored 'General case' 0 N--CA 1.491 1.577 0 O-C-N 121.392 -0.818 . . . . 0.0 110.856 -178.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -67.64 -39.94 84.62 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.998 -1.063 . . . . 0.0 109.189 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 14.5 t -66.45 -40.28 89.34 Favored 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.121 -0.987 . . . . 0.0 109.289 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 tptt -67.4 -40.0 85.57 Favored 'General case' 0 C--N 1.303 -1.417 0 O-C-N 121.419 -0.8 . . . . 0.0 109.63 -179.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 20.1 tm0? . . . . . 0 N--CA 1.491 1.618 0 CA-C-O 118.038 -0.982 . . . . 0.0 109.466 -179.373 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.933 0 N-CA-C 119.469 2.547 . . . . 0.0 119.469 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 42.3 m -109.17 -1.85 18.44 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 121.404 -1.056 . . . . 0.0 109.45 179.003 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.428 ' O ' ' OG1' ' A' ' 6' ' ' THR . 68.5 mm-40 -63.87 -57.54 9.51 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 121.05 -1.031 . . . . 0.0 111.109 -178.262 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.406 ' CD1' HD23 ' B' ' 11' ' ' LEU . 17.6 tp -59.92 -34.22 72.92 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 121.19 -0.944 . . . . 0.0 109.606 -178.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 88.4 tt0 -59.93 -44.47 94.32 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.895 0.855 . . . . 0.0 108.809 178.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.428 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 26.7 p -67.49 -30.41 70.09 Favored 'General case' 0 C--N 1.303 -1.434 0 O-C-N 121.521 -0.737 . . . . 0.0 109.28 179.319 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.442 ' O ' ' OG1' ' A' ' 10' ' ' THR . . . -55.09 -47.74 74.53 Favored 'General case' 0 C--N 1.294 -1.845 0 O-C-N 121.556 -0.715 . . . . 0.0 109.503 -178.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.454 ' SD ' ' CG2' ' B' ' 82' ' ' THR . 27.9 ttt -59.96 -39.95 87.37 Favored 'General case' 0 N--CA 1.487 1.423 0 O-C-N 120.968 -1.082 . . . . 0.0 108.97 179.789 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 81.9 tt0 -61.93 -39.97 93.9 Favored 'General case' 0 N--CA 1.494 1.734 0 O-C-N 121.426 -0.796 . . . . 0.0 110.563 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.442 ' OG1' ' O ' ' A' ' 7' ' ' ALA . 14.9 p -67.69 -44.86 76.77 Favored 'General case' 0 C--N 1.3 -1.57 0 O-C-N 121.483 -0.76 . . . . 0.0 111.212 -177.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.425 HD23 ' CD1' ' B' ' 4' ' ' LEU . 89.8 mt -59.91 -40.06 87.54 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.215 -0.928 . . . . 0.0 110.379 -179.117 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . . . . . . . . . 52.4 mt -80.79 -30.68 12.05 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.773 0 O-C-N 121.341 -0.849 . . . . 0.0 112.636 -177.172 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -65.21 -39.92 93.45 Favored 'General case' 0 C--N 1.293 -1.852 0 O-C-N 119.95 -1.719 . . . . 0.0 108.799 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.438 HG23 ' N ' ' A' ' 15' ' ' PHE . 24.2 m -78.05 -38.03 23.61 Favored 'Isoleucine or valine' 0 C--N 1.295 -1.787 0 CA-C-N 115.919 -0.582 . . . . 0.0 111.134 -179.672 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . 0.438 ' N ' HG23 ' A' ' 14' ' ' VAL . 65.3 t80 -60.06 -49.49 77.44 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.167 -0.958 . . . . 0.0 110.658 -179.292 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 80.0 t60 -76.46 -24.62 53.87 Favored 'General case' 0 C--N 1.299 -1.613 0 O-C-N 121.472 -0.768 . . . . 0.0 111.742 -178.236 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.19 -63.7 1.36 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 120.399 -1.438 . . . . 0.0 110.896 -178.356 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 79.5 m80 -59.98 -40.04 87.76 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 120.535 -1.353 . . . . 0.0 110.169 -178.186 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.458 ' OG ' HD21 ' A' ' 28' ' ' LEU . 17.0 m -66.24 -7.81 20.76 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.492 -0.755 . . . . 0.0 110.901 -178.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.0 15.21 60.87 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.116 -1.594 . . . . 0.0 109.116 -179.426 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.39 -76.06 0.48 Allowed 'General case' 0 C--N 1.307 -1.264 0 N-CA-C 106.51 -1.663 . . . . 0.0 106.51 178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . 0.428 ' C ' ' OE2' ' A' ' 32' ' ' GLU . 85.5 tt0 -127.97 70.88 1.35 Allowed 'General case' 0 N--CA 1.49 1.567 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -162.98 -168.4 24.85 Favored Glycine 0 N--CA 1.495 2.606 0 N-CA-C 109.39 -1.484 . . . . 0.0 109.39 -179.628 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 93.9 m-20 -87.06 156.17 19.85 Favored 'General case' 0 C--N 1.31 -1.148 0 N-CA-C 107.043 -1.465 . . . . 0.0 107.043 179.363 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 98.6 mttt -51.88 -35.71 46.13 Favored 'General case' 0 C--N 1.291 -1.95 0 C-N-CA 118.671 -1.212 . . . . 0.0 108.835 -179.424 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . . . . . . . . . 93.1 m-85 -119.75 17.68 12.69 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 120.8 -1.187 . . . . 0.0 113.926 -178.118 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 21.7 ttmt -141.56 148.05 38.69 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 121.161 1.801 . . . . 0.0 110.169 179.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.468 ' CD2' ' N ' ' A' ' 28' ' ' LEU . 1.7 mm? -96.09 165.01 12.45 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 121.931 0.872 . . . . 0.0 110.662 -178.199 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.479 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 98.8 p -127.4 160.49 31.26 Favored 'General case' 0 C--N 1.3 -1.545 0 N-CA-C 107.595 -1.261 . . . . 0.0 107.595 178.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 70.2 tttt -49.46 -40.64 37.69 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 120.801 -1.187 . . . . 0.0 110.449 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.443 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 18.4 tptm -70.64 -30.4 67.03 Favored 'General case' 0 N--CA 1.498 1.968 0 O-C-N 121.2 -0.938 . . . . 0.0 111.192 -179.197 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.479 ' HB2' ' H ' ' A' ' 29' ' ' SER . 94.3 mt-10 -77.19 -35.36 55.86 Favored 'General case' 0 N--CA 1.49 1.552 0 O-C-N 120.73 -1.232 . . . . 0.0 108.887 179.111 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 30.6 tp -63.99 -43.96 94.13 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.65 -0.656 . . . . 0.0 110.981 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 9.2 mtpm? -65.21 -42.49 93.46 Favored 'General case' 0 N--CA 1.497 1.902 0 O-C-N 121.292 -0.88 . . . . 0.0 112.453 -177.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.538 ' OD1' ' N ' ' A' ' 35' ' ' ASP . 12.2 p-10 -75.36 -27.38 59.13 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 120.568 -1.333 . . . . 0.0 109.612 -179.473 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 60.7 tp -65.1 -40.09 94.08 Favored 'General case' 0 C--N 1.296 -1.748 0 O-C-N 121.54 -0.725 . . . . 0.0 112.226 -178.708 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 33.8 mt -86.28 -35.09 20.15 Favored 'General case' 0 N--CA 1.504 2.246 0 O-C-N 120.646 -1.284 . . . . 0.0 113.218 -177.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.486 ' CB ' HE21 ' A' ' 48' ' ' GLN . 6.8 pt20 -69.19 -36.89 77.8 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.418 -1.426 . . . . 0.0 110.569 -177.658 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 92.9 m -72.43 -49.91 30.16 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.654 -0.654 . . . . 0.0 112.077 -177.18 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . . . . . . . . . 77.5 mt-10 -86.02 -47.88 9.18 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.01 -1.056 . . . . 0.0 111.001 -177.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 1.8 mm? -105.38 70.83 0.9 Allowed 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 108.231 -1.025 . . . . 0.0 108.231 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 60.6 p -80.02 -23.55 41.4 Favored 'General case' 0 N--CA 1.492 1.644 0 O-C-N 121.792 -0.568 . . . . 0.0 112.323 -178.283 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . . . . . . . . . 63.3 m -105.75 4.16 29.64 Favored 'General case' 0 N--CA 1.506 2.347 0 O-C-N 120.872 -1.142 . . . . 0.0 111.897 -177.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . . . . . . . . . 92.0 m-85 -125.57 -66.67 0.93 Allowed 'General case' 0 N--CA 1.504 2.249 0 O-C-N 120.892 -1.13 . . . . 0.0 109.902 -179.685 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.622 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.5 mm? -83.64 134.53 34.78 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.183 -0.948 . . . . 0.0 108.775 -179.831 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . . . . . . . . . 93.2 m-20 -115.5 150.05 37.13 Favored 'General case' 0 N--CA 1.493 1.701 0 N-CA-C 108.596 -0.89 . . . . 0.0 108.596 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.719 ' H ' ' NZ ' ' A' ' 49' ' ' LYS . 2.8 m -151.52 -36.46 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.478 0 N-CA-C 107.868 -1.16 . . . . 0.0 107.868 179.01 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . 0.647 ' H ' ' NZ ' ' A' ' 49' ' ' LYS . 64.7 mt-30 -77.87 -51.81 9.87 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.873 -0.517 . . . . 0.0 111.86 -178.412 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . 0.719 ' NZ ' ' H ' ' A' ' 47' ' ' VAL . 0.0 OUTLIER -67.76 -39.97 84.11 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 120.667 -1.271 . . . . 0.0 109.88 -179.152 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -100.09 94.54 6.3 Favored 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.129 -0.982 . . . . 0.0 109.987 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.06 -37.0 75.39 Favored 'General case' 0 N--CA 1.491 1.609 0 N-CA-C 108.531 -0.914 . . . . 0.0 108.531 178.575 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 93.3 m-20 -60.01 -40.08 88.01 Favored 'General case' 0 C--N 1.302 -1.479 0 N-CA-C 108.472 -0.936 . . . . 0.0 108.472 179.208 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.02 -39.95 87.63 Favored 'General case' 0 C--N 1.301 -1.515 0 O-C-N 121.404 -0.81 . . . . 0.0 110.429 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . . . . . . . . . 90.0 t -67.9 -54.54 21.89 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.613 0 O-C-N 121.326 -0.859 . . . . 0.0 112.043 -178.2 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.412 ' O ' ' OD1' ' A' ' 55' ' ' ASP . 61.4 t0 -60.08 -40.04 88.17 Favored 'General case' 0 C--N 1.288 -2.084 0 O-C-N 120.402 -1.436 . . . . 0.0 110.766 -177.363 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.44 ' O ' ' OE1' ' A' ' 60' ' ' GLU . 6.0 mptp? -70.23 -36.23 74.38 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.089 -1.007 . . . . 0.0 111.938 -177.694 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.506 ' O ' ' CB ' ' A' ' 61' ' ' LEU . 1.3 pp -82.37 -53.36 11.96 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.011 0 O-C-N 119.974 -1.704 . . . . 0.0 109.654 -179.03 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.45 ' N ' HD12 ' A' ' 57' ' ' ILE . 1.6 tmt? -59.93 -48.24 82.51 Favored 'General case' 0 C--N 1.292 -1.922 0 O-C-N 121.354 -0.841 . . . . 0.0 112.317 -176.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 28.2 tptp -67.74 -40.01 84.18 Favored 'General case' 0 N--CA 1.494 1.769 0 O-C-N 120.471 -1.393 . . . . 0.0 110.766 -178.23 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.523 ' OE1' ' N ' ' A' ' 60' ' ' GLU . 25.0 mp0 -89.51 -16.9 29.7 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 120.796 -1.19 . . . . 0.0 110.494 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.533 ' C ' ' H ' ' A' ' 63' ' ' GLU . 69.2 tp -78.73 -18.27 54.52 Favored 'General case' 0 N--CA 1.504 2.238 0 N-CA-C 105.931 -1.877 . . . . 0.0 105.931 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.54 ' O ' ' N ' ' A' ' 64' ' ' ASN . 11.4 m-20 -91.27 40.32 1.03 Allowed 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 104.136 -2.542 . . . . 0.0 104.136 174.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.533 ' H ' ' C ' ' A' ' 61' ' ' LEU . 83.0 tt0 -39.11 -19.74 0.01 OUTLIER 'General case' 0 C--N 1.287 -2.121 0 CA-C-N 112.167 -2.288 . . . . 0.0 110.505 -179.439 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.54 ' N ' ' O ' ' A' ' 62' ' ' ASP . 96.9 m-20 -87.59 -5.35 58.78 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.669 -1.269 . . . . 0.0 108.669 179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.424 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 84.24 33.15 21.09 Favored Glycine 0 N--CA 1.482 1.718 0 N-CA-C 109.482 -1.447 . . . . 0.0 109.482 178.679 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.637 ' C ' ' H ' ' A' ' 68' ' ' GLU . 65.7 m-20 -106.31 115.94 31.08 Favored 'General case' 0 C--N 1.31 -1.12 0 N-CA-C 104.546 -2.39 . . . . 0.0 104.546 178.586 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . -64.74 9.02 0.46 Allowed Glycine 0 C--N 1.281 -2.495 0 C-N-CA 117.642 -2.218 . . . . 0.0 109.035 179.502 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.637 ' H ' ' C ' ' A' ' 66' ' ' ASP . 36.8 mp0 -120.07 139.98 51.71 Favored 'General case' 0 C--N 1.313 -1.008 0 N-CA-C 107.188 -1.412 . . . . 0.0 107.188 179.204 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 54.7 t -101.05 130.01 51.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.595 0 CA-C-O 122.209 1.004 . . . . 0.0 111.339 -177.152 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -79.92 162.39 25.0 Favored 'General case' 0 N--CA 1.487 1.381 0 CA-C-O 121.452 0.644 . . . . 0.0 109.676 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.465 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 47.0 p90 -60.02 -39.35 85.57 Favored 'General case' 0 C--N 1.299 -1.606 0 O-C-N 121.345 -0.847 . . . . 0.0 110.098 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.465 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 61.1 tt0 -66.42 -40.0 89.3 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.943 -1.098 . . . . 0.0 110.281 -179.226 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 95.9 mt-10 -70.39 -40.12 74.13 Favored 'General case' 0 N--CA 1.494 1.74 0 O-C-N 120.712 -1.242 . . . . 0.0 111.004 -178.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . 0.448 ' CD1' ' N ' ' A' ' 75' ' ' VAL . 0.0 OUTLIER -70.49 -39.68 74.05 Favored 'General case' 0 N--CA 1.507 2.395 0 O-C-N 121.252 -0.905 . . . . 0.0 111.797 -178.226 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . 0.448 ' N ' ' CD1' ' A' ' 74' ' ' PHE . 10.5 p -69.83 -33.62 56.8 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.854 0 O-C-N 121.254 -0.904 . . . . 0.0 111.004 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 45.3 t -68.93 -59.43 3.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.521 0 O-C-N 121.209 -0.932 . . . . 0.0 110.908 -178.49 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 8.1 tt -68.71 -50.71 48.61 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.872 -1.143 . . . . 0.0 112.355 -177.367 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 43.9 t -60.1 -39.96 81.97 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.766 0 O-C-N 120.844 -1.16 . . . . 0.0 110.897 -177.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -72.99 -24.88 60.82 Favored 'General case' 0 C--N 1.296 -1.72 0 O-C-N 121.163 -0.961 . . . . 0.0 109.471 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -65.08 -54.63 27.13 Favored 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.244 -0.91 . . . . 0.0 109.59 179.536 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 42.4 mt -63.84 -25.87 68.36 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.407 -0.808 . . . . 0.0 109.769 -179.335 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.471 ' CG2' ' SD ' ' B' ' 8' ' ' MET . 86.9 m -63.04 -55.34 26.44 Favored 'General case' 0 C--N 1.298 -1.655 0 O-C-N 121.598 -0.689 . . . . 0.0 110.932 -178.033 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 2.2 t -80.45 -37.87 17.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.941 0 O-C-N 121.009 -1.057 . . . . 0.0 110.824 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . 0.456 ' O ' ' OD1' ' A' ' 87' ' ' ASN . . . -59.93 -39.78 86.69 Favored 'General case' 0 C--N 1.293 -1.868 0 CA-C-O 121.435 0.636 . . . . 0.0 110.307 -178.605 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . . . . . . . . . 91.3 m -70.31 -39.97 74.49 Favored 'General case' 0 C--N 1.299 -1.6 0 O-C-N 121.187 -0.946 . . . . 0.0 110.339 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -60.1 -50.06 75.2 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.14 -0.975 . . . . 0.0 111.763 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.456 ' OD1' ' O ' ' A' ' 84' ' ' ALA . 20.3 p-10 -71.42 -33.72 69.67 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.93 -1.106 . . . . 0.0 110.449 -178.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . 0.405 ' O ' ' N ' ' A' ' 90' ' ' TRP . 66.9 t80 -60.03 -39.97 87.76 Favored 'General case' 0 N--CA 1.489 1.502 0 O-C-N 121.08 -1.012 . . . . 0.0 110.079 -179.503 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.45 94.96 0.02 OUTLIER 'General case' 0 N--CA 1.489 1.496 0 O-C-N 121.153 -0.967 . . . . 0.0 108.794 -179.696 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . 0.405 ' N ' ' O ' ' A' ' 88' ' ' PHE . 86.5 t90 -68.75 -33.92 74.71 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.604 -0.685 . . . . 0.0 109.861 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.583 ' H ' ' CD ' ' A' ' 91' ' ' GLU . 8.4 pm0 -64.15 -0.82 1.3 Allowed 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.336 -0.852 . . . . 0.0 110.655 -178.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 51.8 p-10 -79.13 4.56 14.34 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.038 -1.039 . . . . 0.0 109.0 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 32.6 t . . . . . 0 N--CA 1.488 1.429 0 CA-C-O 118.044 -0.979 . . . . 0.0 109.639 -179.769 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.529 4.871 0 N-CA-C 119.298 2.479 . . . . 0.0 119.298 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 38.7 m -109.27 -2.2 18.07 Favored 'General case' 0 N--CA 1.498 1.928 0 O-C-N 121.328 -1.101 . . . . 0.0 109.31 179.021 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.433 ' O ' ' OG1' ' B' ' 6' ' ' THR . 67.7 mm-40 -63.45 -57.64 9.59 Favored 'General case' 0 N--CA 1.493 1.679 0 O-C-N 120.971 -1.08 . . . . 0.0 111.163 -178.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.425 ' CD1' HD23 ' A' ' 11' ' ' LEU . 19.0 tp -59.99 -34.31 73.14 Favored 'General case' 0 N--CA 1.496 1.873 0 O-C-N 121.162 -0.961 . . . . 0.0 109.375 -178.069 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -59.64 -44.78 93.39 Favored 'General case' 0 N--CA 1.492 1.658 0 CA-C-O 121.96 0.886 . . . . 0.0 108.96 178.648 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.433 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 24.3 p -67.34 -28.99 68.43 Favored 'General case' 0 C--N 1.301 -1.508 0 O-C-N 121.468 -0.77 . . . . 0.0 109.233 179.325 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.456 ' O ' ' OG1' ' B' ' 10' ' ' THR . . . -57.12 -46.51 82.58 Favored 'General case' 0 C--N 1.297 -1.716 0 C-N-CA 119.515 -0.874 . . . . 0.0 109.36 -176.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . 0.471 ' SD ' ' CG2' ' A' ' 82' ' ' THR . 28.0 ttt -60.09 -39.74 87.17 Favored 'General case' 0 N--CA 1.487 1.415 0 O-C-N 121.103 -0.998 . . . . 0.0 108.803 179.81 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 82.3 tt0 -61.97 -40.07 94.34 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.476 -0.765 . . . . 0.0 110.369 -179.71 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.456 ' OG1' ' O ' ' B' ' 7' ' ' ALA . 16.5 p -67.93 -44.63 76.4 Favored 'General case' 0 C--N 1.3 -1.571 0 O-C-N 121.409 -0.807 . . . . 0.0 111.246 -177.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.406 HD23 ' CD1' ' A' ' 4' ' ' LEU . 87.6 mt -59.95 -40.08 87.75 Favored 'General case' 0 N--CA 1.496 1.857 0 O-C-N 121.266 -0.896 . . . . 0.0 110.41 -179.078 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . . . . . . . . . 57.4 mt -79.56 -34.42 15.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.792 0 O-C-N 121.441 -0.787 . . . . 0.0 112.134 -177.225 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 4.2 m120 -62.13 -39.94 94.25 Favored 'General case' 0 C--N 1.292 -1.92 0 O-C-N 120.174 -1.579 . . . . 0.0 108.913 -179.119 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.425 HG23 ' N ' ' B' ' 15' ' ' PHE . 24.0 m -78.88 -37.59 20.13 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.7 0 CA-C-N 115.969 -0.559 . . . . 0.0 111.133 -179.381 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . 0.425 ' N ' HG23 ' B' ' 14' ' ' VAL . 64.9 t80 -60.0 -49.65 76.84 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.187 -0.945 . . . . 0.0 110.608 -179.331 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -76.54 -24.53 53.64 Favored 'General case' 0 C--N 1.299 -1.629 0 O-C-N 121.595 -0.69 . . . . 0.0 111.62 -178.077 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.04 -63.94 1.3 Allowed 'General case' 0 N--CA 1.494 1.767 0 O-C-N 120.422 -1.424 . . . . 0.0 110.863 -178.38 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 79.4 m80 -60.06 -39.92 87.65 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 120.63 -1.293 . . . . 0.0 110.143 -178.206 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . 0.475 ' OG ' HD21 ' B' ' 28' ' ' LEU . 18.7 m -66.12 -7.97 20.98 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 121.498 -0.751 . . . . 0.0 110.987 -179.108 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -99.01 15.29 60.76 Favored Glycine 0 N--CA 1.493 2.461 0 N-CA-C 109.147 -1.581 . . . . 0.0 109.147 -179.276 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -93.59 -76.05 0.48 Allowed 'General case' 0 C--N 1.307 -1.272 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 178.474 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . 0.428 ' C ' ' OE2' ' B' ' 32' ' ' GLU . 85.7 tt0 -127.84 70.91 1.34 Allowed 'General case' 0 N--CA 1.489 1.522 0 N-CA-C 109.076 -0.712 . . . . 0.0 109.076 179.773 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -163.24 -168.57 25.39 Favored Glycine 0 N--CA 1.496 2.647 0 N-CA-C 109.38 -1.488 . . . . 0.0 109.38 -179.722 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 93.7 m-20 -86.91 156.07 19.98 Favored 'General case' 0 C--N 1.311 -1.106 0 N-CA-C 107.109 -1.441 . . . . 0.0 107.109 179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -51.65 -35.76 43.53 Favored 'General case' 0 C--N 1.291 -1.945 0 C-N-CA 118.717 -1.193 . . . . 0.0 108.847 -179.46 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . . . . . . . . . 92.7 m-85 -119.81 17.7 12.64 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 120.937 -1.102 . . . . 0.0 113.955 -178.108 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 21.4 ttmt -141.46 148.16 39.04 Favored 'General case' 0 N--CA 1.508 2.437 0 O-C-N 119.871 -1.768 . . . . 0.0 110.131 179.328 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . 0.475 HD21 ' OG ' ' B' ' 19' ' ' SER . 1.7 mm? -96.28 164.72 12.54 Favored 'General case' 0 N--CA 1.496 1.827 0 CA-C-O 121.989 0.899 . . . . 0.0 110.661 -178.311 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.489 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 95.6 p -127.04 160.61 30.61 Favored 'General case' 0 C--N 1.299 -1.589 0 N-CA-C 107.624 -1.25 . . . . 0.0 107.624 178.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -49.69 -40.32 39.77 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.78 -1.2 . . . . 0.0 110.346 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.419 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 19.1 tptm -71.1 -29.98 65.97 Favored 'General case' 0 N--CA 1.498 1.931 0 O-C-N 121.044 -1.035 . . . . 0.0 111.254 -179.341 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.489 ' HB2' ' H ' ' B' ' 29' ' ' SER . 94.1 mt-10 -77.4 -34.94 54.68 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 120.636 -1.29 . . . . 0.0 108.851 178.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -64.47 -43.63 93.6 Favored 'General case' 0 C--N 1.299 -1.611 0 O-C-N 121.686 -0.634 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 9.0 mtpm? -65.47 -42.16 92.58 Favored 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.213 -0.929 . . . . 0.0 112.545 -177.554 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.534 ' N ' ' OD1' ' B' ' 35' ' ' ASP . 12.2 p-10 -75.49 -27.49 58.81 Favored 'General case' 0 N--CA 1.495 1.784 0 O-C-N 120.579 -1.326 . . . . 0.0 109.542 -179.479 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 60.2 tp -65.03 -40.0 94.2 Favored 'General case' 0 C--N 1.298 -1.661 0 O-C-N 121.541 -0.724 . . . . 0.0 112.163 -178.549 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . . . . . . . . . 32.5 mt -86.12 -35.96 19.88 Favored 'General case' 0 N--CA 1.504 2.254 0 O-C-N 120.615 -1.303 . . . . 0.0 113.17 -177.303 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.488 ' CB ' HE21 ' B' ' 48' ' ' GLN . 6.7 pt20 -68.27 -37.11 80.38 Favored 'General case' 0 C--N 1.3 -1.554 0 O-C-N 120.543 -1.348 . . . . 0.0 110.57 -177.511 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . . . . . . . . . 92.0 m -72.48 -49.97 29.31 Favored 'General case' 0 C--N 1.3 -1.548 0 O-C-N 121.629 -0.669 . . . . 0.0 112.28 -177.048 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . . . . . . . . . 74.8 mt-10 -86.05 -47.68 9.34 Favored 'General case' 0 N--CA 1.491 1.612 0 O-C-N 121.058 -1.027 . . . . 0.0 110.91 -177.616 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 1.7 mm? -105.53 70.78 0.89 Allowed 'General case' 0 N--CA 1.5 2.034 0 N-CA-C 108.228 -1.027 . . . . 0.0 108.228 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . . . . . . . . . 60.5 p -80.06 -23.34 41.44 Favored 'General case' 0 N--CA 1.491 1.579 0 N-CA-C 112.46 0.541 . . . . 0.0 112.46 -178.265 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . . . . . . . . . 61.3 m -105.75 3.87 29.34 Favored 'General case' 0 N--CA 1.506 2.348 0 O-C-N 120.91 -1.119 . . . . 0.0 111.927 -177.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . . . . . . . . . 91.6 m-85 -125.45 -66.5 0.95 Allowed 'General case' 0 N--CA 1.504 2.227 0 O-C-N 120.995 -1.066 . . . . 0.0 109.929 -179.592 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.6 HD22 ' N ' ' B' ' 45' ' ' LEU . 3.5 mm? -83.7 134.45 34.76 Favored 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.142 -0.974 . . . . 0.0 108.707 -179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -115.46 150.01 37.16 Favored 'General case' 0 N--CA 1.492 1.66 0 N-CA-C 108.668 -0.864 . . . . 0.0 108.668 -179.667 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.709 ' H ' ' NZ ' ' B' ' 49' ' ' LYS . 2.8 m -151.54 -36.56 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.304 -1.41 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 178.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . 0.64 ' H ' ' NZ ' ' B' ' 49' ' ' LYS . 65.6 mt-30 -77.86 -51.59 10.22 Favored 'General case' 0 N--CA 1.493 1.714 0 C-N-CA 120.423 -0.511 . . . . 0.0 111.787 -178.373 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.709 ' NZ ' ' H ' ' B' ' 47' ' ' VAL . 0.0 OUTLIER -67.81 -40.1 83.91 Favored 'General case' 0 N--CA 1.494 1.749 0 O-C-N 120.726 -1.234 . . . . 0.0 109.851 -179.196 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 91.8 m-20 -99.95 94.58 6.36 Favored 'General case' 0 N--CA 1.497 1.878 0 O-C-N 121.181 -0.95 . . . . 0.0 109.999 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -70.16 -36.79 74.96 Favored 'General case' 0 N--CA 1.489 1.525 0 N-CA-C 108.445 -0.946 . . . . 0.0 108.445 178.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 92.6 m-20 -60.35 -39.97 89.05 Favored 'General case' 0 C--N 1.304 -1.382 0 N-CA-C 108.468 -0.938 . . . . 0.0 108.468 179.792 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -60.05 -37.85 81.04 Favored 'General case' 0 C--N 1.302 -1.495 0 O-C-N 121.381 -0.824 . . . . 0.0 110.97 179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . . . . . . . . . 93.1 t -70.04 -54.33 19.44 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.526 0 O-C-N 121.34 -0.85 . . . . 0.0 111.786 -178.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.424 ' O ' ' OD1' ' B' ' 55' ' ' ASP . 61.5 t0 -59.98 -40.07 87.83 Favored 'General case' 0 C--N 1.287 -2.121 0 O-C-N 120.512 -1.367 . . . . 0.0 110.745 -177.283 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.447 ' O ' ' OE1' ' B' ' 60' ' ' GLU . 5.9 mptp? -70.25 -36.58 74.57 Favored 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.096 -1.002 . . . . 0.0 111.779 -177.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.531 ' O ' ' N ' ' B' ' 61' ' ' LEU . 1.4 pp -82.05 -53.4 12.01 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 O-C-N 119.969 -1.707 . . . . 0.0 109.698 -179.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . 0.468 ' N ' HD12 ' B' ' 57' ' ' ILE . 1.6 tmt? -60.06 -48.16 82.85 Favored 'General case' 0 C--N 1.291 -1.948 0 O-C-N 121.251 -0.906 . . . . 0.0 112.255 -176.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 28.0 tptp -67.63 -39.99 84.64 Favored 'General case' 0 N--CA 1.493 1.714 0 O-C-N 120.458 -1.401 . . . . 0.0 110.767 -178.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . 0.514 ' N ' ' OE1' ' B' ' 60' ' ' GLU . 25.2 mp0 -89.6 -16.91 29.51 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.708 -1.245 . . . . 0.0 110.485 -179.434 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.531 ' N ' ' O ' ' B' ' 57' ' ' ILE . 69.4 tp -78.6 -18.45 54.55 Favored 'General case' 0 N--CA 1.505 2.288 0 N-CA-C 105.901 -1.888 . . . . 0.0 105.901 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.543 ' O ' ' N ' ' B' ' 64' ' ' ASN . 11.3 m-20 -91.06 40.0 1.01 Allowed 'General case' 0 N--CA 1.487 1.384 0 N-CA-C 104.24 -2.504 . . . . 0.0 104.24 174.715 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.524 ' H ' ' C ' ' B' ' 61' ' ' LEU . 80.2 tt0 -38.9 -19.71 0.01 OUTLIER 'General case' 0 C--N 1.288 -2.101 0 CA-C-N 112.232 -2.258 . . . . 0.0 110.559 -179.372 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.543 ' N ' ' O ' ' B' ' 62' ' ' ASP . 96.6 m-20 -87.53 -5.53 58.74 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 120.62 -1.3 . . . . 0.0 108.724 179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.437 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 85.38 31.08 23.15 Favored Glycine 0 N--CA 1.482 1.733 0 N-CA-C 109.706 -1.357 . . . . 0.0 109.706 178.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.62 ' C ' ' H ' ' B' ' 68' ' ' GLU . 66.4 m-20 -104.76 116.08 31.42 Favored 'General case' 0 C--N 1.309 -1.163 0 N-CA-C 104.587 -2.375 . . . . 0.0 104.587 179.169 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . -65.04 9.25 0.49 Allowed Glycine 0 C--N 1.281 -2.516 0 C-N-CA 117.573 -2.251 . . . . 0.0 108.865 179.42 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.62 ' H ' ' C ' ' B' ' 66' ' ' ASP . 36.8 mp0 -120.01 140.77 50.46 Favored 'General case' 0 N--CA 1.48 1.026 0 N-CA-C 106.945 -1.502 . . . . 0.0 106.945 179.144 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . . . . . . . . . 54.5 t -101.41 130.37 51.05 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.628 0 CA-C-O 122.158 0.98 . . . . 0.0 111.221 -177.295 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . . . . . . . . . 93.5 m-20 -80.08 162.39 24.83 Favored 'General case' 0 C--N 1.303 -1.435 0 CA-C-O 121.356 0.598 . . . . 0.0 109.656 -179.739 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.47 ' CD2' ' N ' ' B' ' 72' ' ' GLN . 47.0 p90 -59.96 -39.42 85.53 Favored 'General case' 0 C--N 1.298 -1.633 0 O-C-N 121.393 -0.817 . . . . 0.0 110.07 179.775 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.47 ' N ' ' CD2' ' B' ' 71' ' ' PHE . 61.3 tt0 -66.37 -40.07 89.5 Favored 'General case' 0 N--CA 1.494 1.742 0 O-C-N 120.878 -1.139 . . . . 0.0 110.273 -179.227 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . . . . . . . . . 94.3 mt-10 -70.43 -40.04 74.05 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 120.569 -1.332 . . . . 0.0 111.082 -178.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . 0.449 ' CD1' ' N ' ' B' ' 75' ' ' VAL . 0.0 OUTLIER -70.35 -39.99 74.34 Favored 'General case' 0 N--CA 1.506 2.355 0 O-C-N 121.234 -0.916 . . . . 0.0 111.816 -178.311 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . 0.449 ' N ' ' CD1' ' B' ' 74' ' ' PHE . 9.6 p -69.9 -33.11 54.22 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.831 0 O-C-N 121.188 -0.945 . . . . 0.0 111.019 -178.724 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 42.8 t -69.13 -59.43 3.58 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.563 0 O-C-N 121.236 -0.915 . . . . 0.0 110.968 -178.642 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 8.0 tt -68.99 -49.76 54.98 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.953 -1.092 . . . . 0.0 112.488 -177.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 45.9 t -60.68 -40.0 83.36 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.763 0 O-C-N 120.88 -1.138 . . . . 0.0 110.736 -177.68 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -73.59 -24.41 60.07 Favored 'General case' 0 C--N 1.298 -1.665 0 O-C-N 121.196 -0.94 . . . . 0.0 109.647 -179.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -64.92 -58.41 6.23 Favored 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.049 -1.032 . . . . 0.0 108.253 179.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . . . . . . . . . 43.9 mt -59.4 -26.74 65.4 Favored 'General case' 0 N--CA 1.496 1.851 0 CA-C-O 121.584 0.707 . . . . 0.0 109.759 -178.391 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.454 ' CG2' ' SD ' ' A' ' 8' ' ' MET . 87.2 m -63.21 -55.29 26.25 Favored 'General case' 0 N--CA 1.492 1.667 0 O-C-N 121.437 -0.79 . . . . 0.0 111.081 -177.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.417 ' H ' HG23 ' B' ' 83' ' ' VAL . 2.2 t -80.48 -37.72 17.17 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.943 0 O-C-N 121.083 -1.011 . . . . 0.0 110.793 -178.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . 0.44 ' O ' ' OD1' ' B' ' 87' ' ' ASN . . . -60.06 -39.52 86.28 Favored 'General case' 0 C--N 1.293 -1.854 0 CA-C-O 121.412 0.625 . . . . 0.0 110.236 -178.587 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . . . . . . . . . 77.1 m -70.5 -39.97 73.82 Favored 'General case' 0 C--N 1.299 -1.592 0 O-C-N 121.247 -0.908 . . . . 0.0 110.358 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 41.3 t30 -60.21 -50.05 75.21 Favored 'General case' 0 N--CA 1.498 1.955 0 O-C-N 121.192 -0.942 . . . . 0.0 111.773 -178.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . 0.44 ' OD1' ' O ' ' B' ' 84' ' ' ALA . 20.2 p-10 -71.36 -33.83 69.92 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 120.937 -1.102 . . . . 0.0 110.425 -178.859 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . 0.408 ' O ' ' N ' ' B' ' 90' ' ' TRP . 64.7 t80 -59.96 -39.99 87.54 Favored 'General case' 0 N--CA 1.489 1.52 0 O-C-N 121.12 -0.987 . . . . 0.0 110.194 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -57.34 94.86 0.02 OUTLIER 'General case' 0 N--CA 1.487 1.408 0 O-C-N 121.065 -1.022 . . . . 0.0 108.875 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . 0.408 ' N ' ' O ' ' B' ' 88' ' ' PHE . 86.3 t90 -68.67 -34.03 75.0 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.605 -0.684 . . . . 0.0 109.859 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . 0.592 ' CD ' ' H ' ' B' ' 91' ' ' GLU . 8.5 pm0 -63.99 -0.89 1.25 Allowed 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.319 -0.863 . . . . 0.0 110.636 -178.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 52.0 p-10 -79.12 4.65 14.09 Favored 'General case' 0 N--CA 1.491 1.616 0 O-C-N 120.885 -1.134 . . . . 0.0 109.011 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 32.1 t . . . . . 0 N--CA 1.489 1.503 0 CA-C-O 118.047 -0.977 . . . . 0.0 109.612 -179.769 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' LYS . . . . . 0.409 ' O ' ' N ' ' C' ' 5' ' ' TRP . 66.3 mttm . . . . . 0 N--CA 1.49 1.526 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' LYS . . . . . . . . . . . . . 79.8 mttt -59.98 -43.55 95.07 Favored 'General case' 0 N--CA 1.492 1.631 0 N-CA-C 107.961 -1.126 . . . . 0.0 107.961 179.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.25 -40.01 78.12 Favored 'General case' 0 C--N 1.3 -1.56 0 N-CA-C 108.544 -0.91 . . . . 0.0 108.544 179.362 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' VAL . . . . . . . . . . . . . 71.6 t -70.58 -29.67 39.31 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.511 0 O-C-N 121.676 -0.64 . . . . 0.0 109.902 179.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' TRP . . . . . 0.47 ' NE1' HD11 ' C' ' 9' ' ' LEU . 1.9 t-105 -56.26 -42.75 77.92 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.305 -0.872 . . . . 0.0 110.229 -178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.1 t60 -59.96 -42.92 95.12 Favored 'General case' 0 C--N 1.298 -1.664 0 O-C-N 120.947 -1.096 . . . . 0.0 110.101 -178.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' LYS . . . . . 0.468 ' HZ1' ' HB3' ' A' ' 52' ' ' ASP . 0.0 OUTLIER -60.3 -45.9 91.72 Favored 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.196 -0.94 . . . . 0.0 110.846 -179.746 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' LEU . . . . . . . . . . . . . 64.9 tp -68.98 -56.73 6.89 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 120.977 -1.077 . . . . 0.0 111.17 -178.416 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' LEU . . . . . 0.47 HD11 ' NE1' ' C' ' 5' ' ' TRP . 14.5 mt -61.36 -39.53 90.97 Favored 'General case' 0 N--CA 1.489 1.512 0 O-C-N 120.987 -1.071 . . . . 0.0 110.107 -177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' SER . . . . . . . . . . . . . 37.9 t -60.03 -58.79 7.02 Favored 'General case' 0 N--CA 1.491 1.589 0 O-C-N 120.817 -1.177 . . . . 0.0 110.206 -179.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -70.97 -39.99 72.2 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.968 -1.082 . . . . 0.0 109.924 179.622 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' GLN . . . . . . . . . . . . . 63.4 tt0 . . . . . 0 N--CA 1.49 1.54 0 CA-C-O 118.016 -0.992 . . . . 0.0 109.563 179.478 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' LYS . . . . . . . . . . . . . 66.7 mttm . . . . . 0 N--CA 1.49 1.567 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' LYS . . . . . . . . . . . . . 74.9 mttt -60.04 -43.9 95.02 Favored 'General case' 0 N--CA 1.491 1.578 0 N-CA-C 108.059 -1.089 . . . . 0.0 108.059 179.509 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' ALA . . . . . . . . . . . . . . . -69.6 -39.76 77.07 Favored 'General case' 0 C--N 1.301 -1.521 0 N-CA-C 108.592 -0.892 . . . . 0.0 108.592 179.356 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' VAL . . . . . . . . . . . . . 70.4 t -70.2 -29.59 40.16 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.514 0 O-C-N 121.454 -0.779 . . . . 0.0 109.804 179.701 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' TRP . . . . . 0.462 ' NE1' HD11 ' D' ' 9' ' ' LEU . 1.9 t-105 -56.54 -42.78 79.09 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.266 -0.896 . . . . 0.0 110.044 -178.174 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -60.09 -42.62 95.03 Favored 'General case' 0 C--N 1.297 -1.683 0 O-C-N 120.884 -1.135 . . . . 0.0 110.018 -178.756 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.62 -45.36 94.35 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.098 -1.001 . . . . 0.0 110.996 -179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' LEU . . . . . . . . . . . . . 65.8 tp -69.43 -56.68 6.74 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.922 -1.111 . . . . 0.0 111.198 -178.453 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' LEU . . . . . 0.462 HD11 ' NE1' ' D' ' 5' ' ' TRP . 14.1 mt -60.89 -39.75 90.47 Favored 'General case' 0 C--N 1.303 -1.452 0 O-C-N 121.053 -1.029 . . . . 0.0 110.071 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' SER . . . . . . . . . . . . . 34.3 t -60.06 -59.22 5.76 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 120.82 -1.175 . . . . 0.0 110.166 -179.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' LYS . . . . . . . . . . . . . 68.3 mttm -70.58 -40.03 73.53 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 120.923 -1.111 . . . . 0.0 109.829 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' GLN . . . . . . . . . . . . . 63.5 tt0 . . . . . 0 N--CA 1.49 1.555 0 CA-C-O 117.961 -1.019 . . . . 0.0 109.689 179.646 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.53 4.913 0 N-CA-C 119.67 2.628 . . . . 0.0 119.67 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.4 t -105.79 -10.76 16.55 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 121.434 -1.039 . . . . 0.0 108.69 179.027 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.473 ' O ' ' OG1' ' A' ' 6' ' ' THR . 59.1 mp0 -64.43 -50.92 65.67 Favored 'General case' 0 C--N 1.303 -1.439 0 N-CA-C 108.785 -0.821 . . . . 0.0 108.785 179.486 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LEU . . . . . 0.652 ' HB2' HG21 ' B' ' 14' ' ' VAL . 12.5 tp -60.08 -40.02 88.12 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.502 -0.749 . . . . 0.0 109.775 -179.335 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLU . . . . . . . . . . . . . 81.1 tt0 -55.08 -47.79 74.41 Favored 'General case' 0 N--CA 1.493 1.704 0 CA-C-O 122.025 0.917 . . . . 0.0 108.846 178.524 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . 0.473 ' OG1' ' O ' ' A' ' 3' ' ' GLU . 23.3 p -65.98 -30.13 70.63 Favored 'General case' 0 C--N 1.3 -1.569 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.204 -179.685 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.521 ' HB2' ' OG1' ' B' ' 10' ' ' THR . . . -59.95 -46.72 88.5 Favored 'General case' 0 C--N 1.296 -1.731 0 O-C-N 121.458 -0.776 . . . . 0.0 110.089 -178.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 27.3 ttt -60.27 -43.65 96.01 Favored 'General case' 0 N--CA 1.487 1.409 0 O-C-N 120.709 -1.244 . . . . 0.0 109.785 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 50.2 tp10 -63.64 -40.18 96.23 Favored 'General case' 0 N--CA 1.5 2.04 0 O-C-N 121.483 -0.761 . . . . 0.0 110.674 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.513 ' OG1' ' HB2' ' B' ' 7' ' ' ALA . 14.3 p -61.44 -44.28 97.39 Favored 'General case' 0 C--N 1.294 -1.821 0 O-C-N 121.578 -0.701 . . . . 0.0 109.934 -178.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.54 HD23 HD13 ' B' ' 4' ' ' LEU . 56.5 mt -58.37 -35.43 71.96 Favored 'General case' 0 C--N 1.297 -1.716 0 O-C-N 121.368 -0.832 . . . . 0.0 110.575 -179.781 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ILE . . . . . 0.484 HD13 ' N ' ' A' ' 12' ' ' ILE . 3.2 mm -79.98 -29.35 12.69 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.262 0 O-C-N 120.348 -1.47 . . . . 0.0 111.342 -178.689 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASN . . . . . . . . . . . . . 45.0 t30 -64.29 -40.49 96.05 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 120.027 -1.671 . . . . 0.0 109.635 -178.909 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.625 HG21 ' HB2' ' B' ' 4' ' ' LEU . 2.0 m -81.19 -38.13 16.35 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.655 0 O-C-N 121.581 -0.699 . . . . 0.0 111.013 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PHE . . . . . . . . . . . . . 86.5 t80 -59.86 -50.18 74.78 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.885 -1.134 . . . . 0.0 110.889 -178.723 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -72.23 -22.54 61.23 Favored 'General case' 0 C--N 1.299 -1.612 0 O-C-N 121.524 -0.735 . . . . 0.0 110.744 -178.794 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.35 -64.72 1.12 Allowed 'General case' 0 C--N 1.302 -1.47 0 O-C-N 120.706 -1.246 . . . . 0.0 111.048 -178.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' HIS . . . . . . . . . . . . . 73.3 m80 -65.41 -40.08 92.94 Favored 'General case' 0 C--N 1.301 -1.536 0 O-C-N 120.597 -1.314 . . . . 0.0 111.431 -177.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.403 ' OG ' ' CD1' ' A' ' 28' ' ' LEU . 5.6 m -68.4 -14.4 62.97 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.282 -0.886 . . . . 0.0 111.141 -178.45 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.46 14.09 56.66 Favored Glycine 0 N--CA 1.493 2.496 0 N-CA-C 110.479 -1.049 . . . . 0.0 110.479 -178.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 69.1 mmtt -84.53 -66.24 0.92 Allowed 'General case' 0 N--CA 1.491 1.595 0 O-C-N 120.548 -1.56 . . . . 0.0 107.624 178.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLU . . . . . . . . . . . . . 16.1 pt-20 -120.23 6.84 10.71 Favored 'General case' 0 N--CA 1.498 1.958 0 N-CA-C 108.612 -0.884 . . . . 0.0 108.612 179.483 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.5 178.33 51.91 Favored Glycine 0 N--CA 1.493 2.471 0 N-CA-C 110.107 -1.197 . . . . 0.0 110.107 -179.462 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -91.22 177.52 6.23 Favored 'General case' 0 N--CA 1.489 1.478 0 O-C-N 121.242 -1.152 . . . . 0.0 108.062 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.455 ' C ' ' CG ' ' A' ' 26' ' ' TYR . 67.4 mttm -64.95 95.61 0.16 Allowed 'General case' 0 C--N 1.295 -1.795 0 C-N-CA 119.006 -1.078 . . . . 0.0 109.717 -179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' TYR . . . . . 0.455 ' CG ' ' C ' ' A' ' 25' ' ' LYS . 4.6 m-85 75.2 29.94 0.9 Allowed 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 114.668 1.358 . . . . 0.0 114.668 177.313 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -133.34 138.71 46.47 Favored 'General case' 0 N--CA 1.507 2.416 0 O-C-N 120.266 -1.521 . . . . 0.0 107.032 176.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LEU . . . . . 0.403 ' CD1' ' OG ' ' A' ' 19' ' ' SER . 7.4 tp -95.0 157.42 15.9 Favored 'General case' 0 N--CA 1.482 1.152 0 N-CA-C 107.694 -1.224 . . . . 0.0 107.694 -179.329 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' SER . . . . . 0.535 ' H ' ' HB2' ' A' ' 32' ' ' GLU . 45.9 t -136.54 165.77 25.06 Favored 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.467 -0.77 . . . . 0.0 109.865 -178.439 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' LYS . . . . . . . . . . . . . 43.6 tttm -47.72 -47.91 29.85 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.308 -0.87 . . . . 0.0 111.66 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.402 ' H ' ' HG2' ' A' ' 31' ' ' LYS . 24.0 pttm -70.86 -26.02 63.07 Favored 'General case' 0 N--CA 1.5 2.044 0 O-C-N 120.414 -1.429 . . . . 0.0 111.629 -178.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . 0.535 ' HB2' ' H ' ' A' ' 29' ' ' SER . 33.1 mt-10 -74.61 -39.03 62.41 Favored 'General case' 0 N--CA 1.498 1.939 0 O-C-N 120.936 -1.102 . . . . 0.0 110.834 -179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -76.08 -36.67 58.85 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.416 -0.803 . . . . 0.0 111.0 -178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 87.3 tttt -60.15 -41.32 92.51 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 120.625 -1.297 . . . . 0.0 110.288 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.43 ' O ' ' OD1' ' A' ' 35' ' ' ASP . 54.1 t0 -79.39 -31.91 42.89 Favored 'General case' 0 N--CA 1.5 2.046 0 O-C-N 121.269 -0.894 . . . . 0.0 110.97 -179.288 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.465 ' O ' ' OE1' ' A' ' 40' ' ' GLU . 47.4 tp -66.21 -39.96 89.99 Favored 'General case' 0 C--N 1.296 -1.718 0 O-C-N 121.428 -0.795 . . . . 0.0 112.944 -177.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.451 HD12 ' N ' ' A' ' 38' ' ' GLN . 2.7 pp -86.05 -40.11 16.1 Favored 'General case' 0 N--CA 1.501 2.098 0 O-C-N 120.568 -1.333 . . . . 0.0 113.166 -178.19 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.451 ' N ' HD12 ' A' ' 37' ' ' LEU . 2.9 pt20 -64.81 -40.98 96.09 Favored 'General case' 0 N--CA 1.492 1.633 0 O-C-N 120.425 -1.422 . . . . 0.0 110.823 -177.598 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.435 ' N ' ' CG ' ' A' ' 38' ' ' GLN . 93.0 m -70.74 -40.38 72.77 Favored 'General case' 0 C--N 1.298 -1.652 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.294 -177.864 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLU . . . . . 0.465 ' OE1' ' O ' ' A' ' 36' ' ' LEU . 26.7 mp0 -95.02 -15.41 23.51 Favored 'General case' 0 N--CA 1.496 1.867 0 O-C-N 121.028 -1.045 . . . . 0.0 111.482 -178.43 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 4.5 mt -134.81 75.55 1.58 Allowed 'General case' 0 N--CA 1.5 2.063 0 O-C-N 121.126 -0.984 . . . . 0.0 108.801 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . 0.422 ' O ' ' CB ' ' A' ' 43' ' ' SER . 58.3 p -85.25 141.58 30.01 Favored 'General case' 0 C--N 1.303 -1.422 0 CA-C-O 121.35 0.595 . . . . 0.0 109.395 179.747 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 42' ' ' SER . 0.7 OUTLIER 73.17 -2.77 2.63 Favored 'General case' 0 C--N 1.293 -1.884 0 O-C-N 121.466 -0.771 . . . . 0.0 110.929 179.016 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PHE . . . . . 0.406 ' C ' HD22 ' A' ' 45' ' ' LEU . 94.6 m-85 -109.14 -67.09 1.0 Allowed 'General case' 0 N--CA 1.495 1.778 0 N-CA-C 107.317 -1.364 . . . . 0.0 107.317 178.135 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.532 ' N ' HD22 ' A' ' 45' ' ' LEU . 3.4 mm? -97.93 140.2 32.63 Favored 'General case' 0 N--CA 1.489 1.502 0 N-CA-C 107.613 -1.255 . . . . 0.0 107.613 178.101 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASP . . . . . 0.46 ' O ' HG13 ' A' ' 47' ' ' VAL . 40.3 m-20 -124.87 153.3 42.81 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 109.098 -179.05 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' VAL . . . . . 0.499 ' O ' ' CG2' ' A' ' 54' ' ' VAL . 15.3 m -158.21 -35.9 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.298 -1.634 0 N-CA-C 108.123 -1.066 . . . . 0.0 108.123 179.405 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLN . . . . . . . . . . . . . 19.5 pt20 -86.8 -20.96 26.8 Favored 'General case' 0 C--N 1.295 -1.771 0 O-C-N 121.315 -0.865 . . . . 0.0 110.198 -179.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.61 -38.93 81.0 Favored 'General case' 0 C--N 1.3 -1.578 0 N-CA-C 108.594 -0.891 . . . . 0.0 108.594 179.651 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 97.5 m-20 -128.64 118.84 23.61 Favored 'General case' 0 N--CA 1.499 1.98 0 O-C-N 121.701 -0.624 . . . . 0.0 110.207 -179.662 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.76 -26.69 64.42 Favored 'General case' 0 N--CA 1.489 1.509 0 N-CA-C 108.562 -0.903 . . . . 0.0 108.562 178.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.468 ' HB3' ' HZ1' ' C' ' 7' ' ' LYS . 85.1 m-20 -68.41 -26.12 65.38 Favored 'General case' 0 C--N 1.304 -1.408 0 O-C-N 121.285 -0.884 . . . . 0.0 108.779 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -72.63 -40.11 66.69 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.114 -0.991 . . . . 0.0 110.412 179.112 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' VAL . . . . . 0.499 ' CG2' ' O ' ' A' ' 47' ' ' VAL . 10.5 t -69.65 -55.42 15.12 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.604 0 O-C-N 121.215 -0.928 . . . . 0.0 112.331 -178.383 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.446 ' OD1' ' N ' ' A' ' 56' ' ' LYS . 20.8 p-10 -63.74 -40.06 95.82 Favored 'General case' 0 C--N 1.287 -2.117 0 O-C-N 120.7 -1.25 . . . . 0.0 111.05 -177.304 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.446 ' N ' ' OD1' ' A' ' 55' ' ' ASP . 68.3 mttm -70.02 -38.84 76.01 Favored 'General case' 0 C--N 1.294 -1.812 0 O-C-N 121.198 -0.939 . . . . 0.0 111.655 -177.711 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ILE . . . . . 0.52 ' O ' ' N ' ' A' ' 61' ' ' LEU . 80.2 mt -82.04 -55.61 7.5 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.485 0 O-C-N 121.149 -0.969 . . . . 0.0 110.496 -178.094 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' MET . . . . . 0.408 ' C ' ' SD ' ' A' ' 58' ' ' MET . 1.1 tmt? -60.39 -43.99 96.09 Favored 'General case' 0 C--N 1.293 -1.889 0 O-C-N 121.731 -0.606 . . . . 0.0 112.029 -178.392 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LYS . . . . . . . . . . . . . 66.8 mttm -68.42 -36.37 78.98 Favored 'General case' 0 N--CA 1.491 1.622 0 O-C-N 120.401 -1.437 . . . . 0.0 109.136 -179.044 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 81.2 mm-40 -86.99 -16.29 36.19 Favored 'General case' 0 N--CA 1.487 1.419 0 O-C-N 121.428 -0.795 . . . . 0.0 109.501 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' A' ' 63' ' ' GLU . 47.7 tp -85.07 -18.03 35.58 Favored 'General case' 0 N--CA 1.507 2.382 0 N-CA-C 106.674 -1.602 . . . . 0.0 106.674 179.686 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASP . . . . . 0.669 ' O ' ' N ' ' A' ' 65' ' ' GLY . 6.9 m-20 -91.81 40.57 1.04 Allowed 'General case' 0 N--CA 1.497 1.881 0 N-CA-C 103.266 -2.864 . . . . 0.0 103.266 173.775 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' A' ' 61' ' ' LEU . 11.5 pt-20 -36.87 -20.59 0.01 OUTLIER 'General case' 0 C--N 1.291 -1.949 0 CA-C-N 111.705 -2.498 . . . . 0.0 110.939 -178.684 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ASN . . . . . 0.56 ' N ' ' O ' ' A' ' 62' ' ' ASP . 97.5 m-20 -85.02 5.88 27.55 Favored 'General case' 0 N--CA 1.494 1.727 0 N-CA-C 107.397 -1.335 . . . . 0.0 107.397 178.836 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.669 ' N ' ' O ' ' A' ' 62' ' ' ASP . . . 58.03 35.95 78.97 Favored Glycine 0 N--CA 1.492 2.426 0 N-CA-C 110.477 -1.049 . . . . 0.0 110.477 179.538 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ASP . . . . . 0.439 ' OD2' ' O ' ' A' ' 68' ' ' GLU . 42.7 p-10 -101.73 -16.42 16.66 Favored 'General case' 0 N--CA 1.501 2.113 0 O-C-N 121.079 -1.247 . . . . 0.0 110.595 -179.492 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLY . . . . . . . . . . . . . . . 77.9 -13.63 13.03 Favored Glycine 0 N--CA 1.498 2.777 0 N-CA-C 109.158 -1.577 . . . . 0.0 109.158 179.647 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLU . . . . . 0.439 ' O ' ' OD2' ' A' ' 66' ' ' ASP . 99.4 mt-10 -107.86 133.64 51.94 Favored 'General case' 0 C--N 1.308 -1.21 0 N-CA-C 106.831 -1.544 . . . . 0.0 106.831 179.316 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 79.3 t -101.13 139.71 21.72 Favored 'Isoleucine or valine' 0 C--N 1.29 -1.991 0 O-C-N 121.461 -0.774 . . . . 0.0 110.581 -177.412 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ASP . . . . . 0.529 ' O ' ' N ' ' A' ' 72' ' ' GLN . 91.5 m-20 -97.62 122.73 41.03 Favored 'General case' 0 N--CA 1.487 1.413 0 O-C-N 121.51 -0.744 . . . . 0.0 109.365 -179.603 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PHE . . . . . 0.555 ' CD1' ' N ' ' A' ' 72' ' ' GLN . 55.4 p90 -27.43 -37.18 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 112.155 0.428 . . . . 0.0 112.155 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLN . . . . . 0.555 ' N ' ' CD1' ' A' ' 71' ' ' PHE . 63.1 tt0 -60.17 -42.08 94.23 Favored 'General case' 0 N--CA 1.496 1.837 0 O-C-N 120.87 -1.144 . . . . 0.0 109.813 -179.48 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . 0.467 ' N ' ' O ' ' A' ' 70' ' ' ASP . 96.5 mt-10 -66.51 -40.11 89.04 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.054 -1.029 . . . . 0.0 109.79 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' PHE . . . . . . . . . . . . . 64.8 t80 -60.12 -40.14 88.67 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 115.894 -0.594 . . . . 0.0 112.37 -178.888 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' VAL . . . . . . . . . . . . . 1.3 p -71.53 -36.27 59.63 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.84 0 O-C-N 120.952 -1.092 . . . . 0.0 111.514 -178.431 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 75.5 t -68.03 -58.46 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.807 0 O-C-N 121.002 -1.061 . . . . 0.0 111.233 -178.645 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' LEU . . . . . . . . . . . . . 6.8 tt -70.06 -44.26 69.52 Favored 'General case' 0 N--CA 1.499 1.989 0 O-C-N 121.064 -1.023 . . . . 0.0 113.017 -176.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' VAL . . . . . . . . . . . . . 59.2 t -65.07 -39.79 86.79 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.047 0 O-C-N 120.564 -1.335 . . . . 0.0 110.616 -178.486 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -77.91 -26.67 49.17 Favored 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.109 -0.994 . . . . 0.0 110.227 -179.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ALA . . . . . . . . . . . . . . . -61.41 -26.07 67.61 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 120.768 -1.207 . . . . 0.0 109.137 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.503 ' O ' ' SG ' ' A' ' 85' ' ' CYS . 24.6 mt -93.15 -25.12 18.0 Favored 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.587 -0.695 . . . . 0.0 109.977 -179.279 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' THR . . . . . 0.463 ' CG2' ' N ' ' A' ' 83' ' ' VAL . 0.6 OUTLIER -69.7 -53.03 20.49 Favored 'General case' 0 N--CA 1.493 1.676 0 C-N-CA 118.946 -1.101 . . . . 0.0 110.016 -178.561 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.463 ' N ' ' CG2' ' A' ' 82' ' ' THR . 2.2 t -73.86 -39.19 51.72 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 O-C-N 120.8 -1.187 . . . . 0.0 109.611 179.573 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.89 -36.14 76.32 Favored 'General case' 0 C--N 1.302 -1.46 0 O-C-N 121.465 -0.772 . . . . 0.0 109.593 -178.414 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' CYS . . . . . 0.503 ' SG ' ' O ' ' A' ' 81' ' ' LEU . 57.8 m -63.41 -40.02 96.06 Favored 'General case' 0 C--N 1.301 -1.535 0 O-C-N 121.167 -0.958 . . . . 0.0 109.383 179.462 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -60.9 -40.04 91.58 Favored 'General case' 0 N--CA 1.493 1.71 0 O-C-N 121.34 -0.85 . . . . 0.0 109.379 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 40.5 t30 -60.19 -42.91 96.08 Favored 'General case' 0 N--CA 1.489 1.486 0 O-C-N 121.277 -0.889 . . . . 0.0 110.571 -178.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -73.95 -23.45 59.51 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.987 -1.071 . . . . 0.0 109.975 -179.577 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 65.2 m-85 51.4 78.24 0.12 Allowed 'General case' 0 N--CA 1.489 1.521 0 O-C-N 120.994 -1.066 . . . . 0.0 109.683 179.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TRP . . . . . . . . . . . . . 67.2 p-90 -58.29 -20.18 40.54 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.132 -0.98 . . . . 0.0 109.274 179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 86.3 tt0 -68.3 -6.42 23.94 Favored 'General case' 0 N--CA 1.488 1.465 0 N-CA-C 108.238 -1.023 . . . . 0.0 108.238 178.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 62.9 t30 -78.76 -13.19 59.94 Favored 'General case' 0 N--CA 1.49 1.548 0 O-C-N 121.415 -0.803 . . . . 0.0 108.992 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 77.2 p . . . . . 0 C--N 1.301 -1.517 0 CA-C-O 118.032 -0.985 . . . . 0.0 109.551 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 1 N--CA 1.528 4.82 0 N-CA-C 119.397 2.519 . . . . 0.0 119.397 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -105.56 -11.09 16.51 Favored 'General case' 0 N--CA 1.498 1.964 0 O-C-N 121.593 -0.945 . . . . 0.0 108.737 179.229 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.44 ' O ' ' OG1' ' B' ' 6' ' ' THR . 58.9 mp0 -64.25 -50.86 66.3 Favored 'General case' 0 C--N 1.303 -1.455 0 N-CA-C 108.861 -0.792 . . . . 0.0 108.861 179.521 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' LEU . . . . . 0.625 ' HB2' HG21 ' A' ' 14' ' ' VAL . 12.6 tp -60.64 -39.51 88.54 Favored 'General case' 0 C--N 1.299 -1.591 0 O-C-N 121.566 -0.709 . . . . 0.0 109.827 -179.194 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' GLU . . . . . . . . . . . . . 79.4 tt0 -55.53 -47.74 75.8 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 122.172 0.987 . . . . 0.0 108.584 178.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' THR . . . . . 0.44 ' OG1' ' O ' ' B' ' 3' ' ' GLU . 23.0 p -66.17 -29.56 69.87 Favored 'General case' 0 C--N 1.296 -1.747 0 O-C-N 121.75 -0.594 . . . . 0.0 110.092 -179.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ALA . . . . . 0.513 ' HB2' ' OG1' ' A' ' 10' ' ' THR . . . -60.21 -45.83 91.84 Favored 'General case' 0 C--N 1.301 -1.531 0 O-C-N 121.344 -0.847 . . . . 0.0 109.895 -177.011 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' MET . . . . . . . . . . . . . 27.4 ttt -60.13 -43.84 95.39 Favored 'General case' 0 N--CA 1.486 1.35 0 O-C-N 121.069 -1.019 . . . . 0.0 109.735 -179.66 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLU . . . . . . . . . . . . . 49.9 tp10 -63.93 -40.11 95.72 Favored 'General case' 0 N--CA 1.499 1.999 0 O-C-N 121.524 -0.735 . . . . 0.0 110.579 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' THR . . . . . 0.521 ' OG1' ' HB2' ' A' ' 7' ' ' ALA . 12.7 p -61.63 -44.59 96.7 Favored 'General case' 0 C--N 1.295 -1.801 0 O-C-N 121.491 -0.756 . . . . 0.0 109.854 -178.449 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' LEU . . . . . 0.534 HD23 HD13 ' A' ' 4' ' ' LEU . 74.6 mt -57.7 -35.88 71.23 Favored 'General case' 0 C--N 1.296 -1.733 0 O-C-N 121.585 -0.697 . . . . 0.0 110.394 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' ILE . . . . . 0.5 ' N ' HD13 ' B' ' 12' ' ' ILE . 3.0 mm -79.61 -30.53 13.6 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.324 0 O-C-N 120.31 -1.494 . . . . 0.0 111.505 -178.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' ASN . . . . . . . . . . . . . 44.4 t30 -63.11 -40.23 97.02 Favored 'General case' 0 C--N 1.297 -1.706 0 O-C-N 120.122 -1.611 . . . . 0.0 109.655 -178.566 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' VAL . . . . . 0.652 HG21 ' HB2' ' A' ' 4' ' ' LEU . 2.4 m -81.96 -37.72 15.18 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 O-C-N 121.46 -0.775 . . . . 0.0 110.896 -179.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -59.96 -49.95 75.66 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.767 -1.208 . . . . 0.0 110.852 -178.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -72.46 -22.39 61.08 Favored 'General case' 0 C--N 1.299 -1.628 0 O-C-N 121.588 -0.695 . . . . 0.0 110.559 -178.739 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' ALA . . . . . . . . . . . . . . . -79.57 -65.0 1.06 Allowed 'General case' 0 C--N 1.302 -1.483 0 O-C-N 120.671 -1.268 . . . . 0.0 111.062 -178.202 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' HIS . . . . . . . . . . . . . 75.0 m80 -65.15 -39.9 93.62 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 120.655 -1.278 . . . . 0.0 111.424 -177.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.7 m -68.55 -14.35 62.95 Favored 'General case' 0 N--CA 1.496 1.864 0 O-C-N 121.237 -0.915 . . . . 0.0 111.013 -178.49 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' GLY . . . . . . . . . . . . . . . -102.36 13.54 56.93 Favored Glycine 0 N--CA 1.494 2.52 0 N-CA-C 110.424 -1.071 . . . . 0.0 110.424 -178.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' LYS . . . . . . . . . . . . . 67.7 mmtt -84.23 -65.92 0.95 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 120.543 -1.563 . . . . 0.0 107.679 178.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' GLU . . . . . . . . . . . . . 16.5 pt-20 -120.62 7.02 10.51 Favored 'General case' 0 N--CA 1.498 1.939 0 N-CA-C 108.833 -0.802 . . . . 0.0 108.833 179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' GLY . . . . . . . . . . . . . . . -77.56 178.7 51.64 Favored Glycine 0 N--CA 1.491 2.331 0 N-CA-C 110.126 -1.189 . . . . 0.0 110.126 -179.508 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 31.9 t0 -91.26 177.9 6.12 Favored 'General case' 0 N--CA 1.488 1.432 0 O-C-N 121.226 -1.161 . . . . 0.0 108.013 179.761 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' LYS . . . . . 0.446 ' C ' ' CG ' ' B' ' 26' ' ' TYR . 68.0 mttm -65.04 95.4 0.16 Allowed 'General case' 0 C--N 1.293 -1.866 0 O-C-N 121.074 -1.016 . . . . 0.0 109.639 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' TYR . . . . . 0.446 ' CG ' ' C ' ' B' ' 25' ' ' LYS . 4.6 m-85 74.95 30.04 0.95 Allowed 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 114.759 1.392 . . . . 0.0 114.759 177.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -133.3 138.51 46.44 Favored 'General case' 0 N--CA 1.506 2.359 0 O-C-N 120.257 -1.527 . . . . 0.0 107.073 176.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LEU . . . . . . . . . . . . . 7.7 tp -94.98 157.68 15.79 Favored 'General case' 0 N--CA 1.484 1.252 0 N-CA-C 107.765 -1.198 . . . . 0.0 107.765 -179.373 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' SER . . . . . 0.522 ' H ' ' HB2' ' B' ' 32' ' ' GLU . 42.0 t -137.13 165.05 26.99 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 121.416 -0.802 . . . . 0.0 109.926 -178.236 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' LYS . . . . . . . . . . . . . 43.0 tttm -46.65 -48.32 19.98 Favored 'General case' 0 N--CA 1.497 1.903 0 O-C-N 121.287 -0.883 . . . . 0.0 111.757 -179.741 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' LYS . . . . . 0.414 ' HG2' ' H ' ' B' ' 31' ' ' LYS . 23.8 pttm -71.22 -24.97 62.3 Favored 'General case' 0 N--CA 1.499 1.976 0 O-C-N 120.368 -1.458 . . . . 0.0 111.746 -178.309 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' GLU . . . . . 0.522 ' HB2' ' H ' ' B' ' 29' ' ' SER . 31.6 mt-10 -75.18 -38.89 60.67 Favored 'General case' 0 N--CA 1.5 2.058 0 O-C-N 121.043 -1.036 . . . . 0.0 110.672 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' LEU . . . . . . . . . . . . . 2.1 pp -75.81 -36.98 59.52 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.424 -0.798 . . . . 0.0 111.035 -179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LYS . . . . . . . . . . . . . 85.8 tttt -60.12 -41.1 91.91 Favored 'General case' 0 N--CA 1.493 1.701 0 O-C-N 120.755 -1.216 . . . . 0.0 110.264 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ASP . . . . . 0.444 ' O ' ' OD1' ' B' ' 35' ' ' ASP . 56.3 t0 -79.78 -31.67 40.86 Favored 'General case' 0 N--CA 1.497 1.89 0 O-C-N 121.291 -0.88 . . . . 0.0 110.789 -179.239 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.473 ' O ' ' OE1' ' B' ' 40' ' ' GLU . 44.7 tp -66.27 -40.0 89.81 Favored 'General case' 0 C--N 1.295 -1.795 0 O-C-N 121.24 -0.913 . . . . 0.0 112.912 -177.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' LEU . . . . . 0.449 HD12 ' N ' ' B' ' 38' ' ' GLN . 2.7 pp -86.05 -40.05 16.16 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 120.413 -1.429 . . . . 0.0 113.12 -178.076 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLN . . . . . 0.449 ' N ' HD12 ' B' ' 37' ' ' LEU . 3.0 pt20 -64.77 -40.94 96.1 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 120.605 -1.31 . . . . 0.0 110.724 -177.539 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' THR . . . . . 0.437 ' N ' ' CG ' ' B' ' 38' ' ' GLN . 93.7 m -70.79 -40.04 72.8 Favored 'General case' 0 C--N 1.296 -1.725 0 CA-C-N 115.891 -0.595 . . . . 0.0 111.541 -178.107 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' GLU . . . . . 0.473 ' OE1' ' O ' ' B' ' 36' ' ' LEU . 26.2 mp0 -95.29 -15.65 23.01 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.074 -1.016 . . . . 0.0 111.399 -178.444 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' LEU . . . . . . . . . . . . . 4.4 mt -134.77 75.9 1.6 Allowed 'General case' 0 N--CA 1.5 2.039 0 O-C-N 120.949 -1.095 . . . . 0.0 108.983 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' SER . . . . . 0.428 ' O ' ' CB ' ' B' ' 43' ' ' SER . 52.3 p -85.51 141.4 29.92 Favored 'General case' 0 C--N 1.304 -1.398 0 CA-C-O 121.39 0.614 . . . . 0.0 109.524 179.623 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' SER . . . . . 0.428 ' CB ' ' O ' ' B' ' 42' ' ' SER . 0.7 OUTLIER 73.38 -2.86 2.62 Favored 'General case' 0 C--N 1.292 -1.904 0 O-C-N 121.66 -0.65 . . . . 0.0 110.777 178.896 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' PHE . . . . . 0.409 ' C ' HD22 ' B' ' 45' ' ' LEU . 95.8 m-85 -109.05 -67.43 0.98 Allowed 'General case' 0 N--CA 1.496 1.849 0 N-CA-C 107.196 -1.409 . . . . 0.0 107.196 178.185 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' LEU . . . . . 0.521 ' CD2' ' N ' ' B' ' 45' ' ' LEU . 3.2 mm? -97.77 140.08 32.69 Favored 'General case' 0 N--CA 1.489 1.494 0 N-CA-C 107.461 -1.311 . . . . 0.0 107.461 178.395 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' ASP . . . . . 0.465 ' O ' HG13 ' B' ' 47' ' ' VAL . 41.5 m-20 -124.55 153.7 41.73 Favored 'General case' 0 N--CA 1.495 1.802 0 O-C-N 120.874 -1.141 . . . . 0.0 109.27 -179.162 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' VAL . . . . . 0.504 ' O ' ' CG2' ' B' ' 54' ' ' VAL . 15.3 m -158.47 -36.25 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.302 -1.458 0 N-CA-C 108.232 -1.025 . . . . 0.0 108.232 179.568 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -86.88 -20.53 27.29 Favored 'General case' 0 C--N 1.294 -1.835 0 O-C-N 121.281 -0.887 . . . . 0.0 110.215 -179.057 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 35.5 mttm -68.76 -39.13 80.41 Favored 'General case' 0 C--N 1.3 -1.565 0 N-CA-C 108.5 -0.926 . . . . 0.0 108.5 179.545 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 50' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -128.83 119.4 24.42 Favored 'General case' 0 N--CA 1.5 2.057 0 O-C-N 121.503 -0.748 . . . . 0.0 109.94 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 51' ' ' ALA . . . . . . . . . . . . . . . -69.89 -26.25 64.08 Favored 'General case' 0 C--N 1.303 -1.419 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 178.808 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 52' ' ' ASP . . . . . . . . . . . . . 84.5 m-20 -68.78 -25.71 64.84 Favored 'General case' 0 N--CA 1.485 1.315 0 O-C-N 121.234 -0.916 . . . . 0.0 108.911 -179.674 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 53' ' ' ALA . . . . . . . . . . . . . . . -73.06 -38.63 66.4 Favored 'General case' 0 N--CA 1.496 1.832 0 O-C-N 121.267 -0.896 . . . . 0.0 110.726 178.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 54' ' ' VAL . . . . . 0.504 ' CG2' ' O ' ' B' ' 47' ' ' VAL . 11.5 t -70.75 -55.57 13.78 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.267 -0.895 . . . . 0.0 112.02 -178.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 55' ' ' ASP . . . . . 0.449 ' OD1' ' N ' ' B' ' 56' ' ' LYS . 20.4 p-10 -63.9 -40.05 95.6 Favored 'General case' 0 C--N 1.289 -2.052 0 O-C-N 120.805 -1.184 . . . . 0.0 111.09 -177.165 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 56' ' ' LYS . . . . . 0.449 ' N ' ' OD1' ' B' ' 55' ' ' ASP . 68.7 mttm -69.94 -38.62 76.22 Favored 'General case' 0 C--N 1.292 -1.903 0 O-C-N 121.117 -0.99 . . . . 0.0 111.836 -178.026 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 57' ' ' ILE . . . . . 0.53 ' O ' ' N ' ' B' ' 61' ' ' LEU . 85.3 mt -82.21 -55.37 7.83 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.438 0 O-C-N 121.195 -0.94 . . . . 0.0 110.399 -177.792 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 58' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -60.03 -45.06 94.05 Favored 'General case' 0 C--N 1.293 -1.865 0 O-C-N 121.693 -0.629 . . . . 0.0 112.102 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 59' ' ' LYS . . . . . . . . . . . . . 67.1 mttm -67.9 -36.22 79.83 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 120.647 -1.283 . . . . 0.0 109.087 -178.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 60' ' ' GLU . . . . . . . . . . . . . 81.4 mm-40 -87.28 -16.2 35.86 Favored 'General case' 0 N--CA 1.488 1.457 0 O-C-N 121.372 -0.83 . . . . 0.0 109.347 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 61' ' ' LEU . . . . . 0.557 ' C ' ' H ' ' B' ' 63' ' ' GLU . 52.3 tp -84.93 -18.44 34.62 Favored 'General case' 0 N--CA 1.507 2.402 0 N-CA-C 106.627 -1.62 . . . . 0.0 106.627 179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 62' ' ' ASP . . . . . 0.653 ' O ' ' N ' ' B' ' 65' ' ' GLY . 7.9 m-20 -91.55 40.72 1.04 Allowed 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 103.38 -2.822 . . . . 0.0 103.38 173.764 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 63' ' ' GLU . . . . . 0.557 ' H ' ' C ' ' B' ' 61' ' ' LEU . 11.5 pt-20 -37.0 -20.55 0.01 OUTLIER 'General case' 0 C--N 1.29 -1.981 0 CA-C-N 111.688 -2.505 . . . . 0.0 110.907 -178.773 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 64' ' ' ASN . . . . . 0.551 ' N ' ' O ' ' B' ' 62' ' ' ASP . 97.7 m-20 -84.83 5.23 29.55 Favored 'General case' 0 N--CA 1.493 1.722 0 N-CA-C 107.331 -1.359 . . . . 0.0 107.331 178.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 65' ' ' GLY . . . . . 0.653 ' N ' ' O ' ' B' ' 62' ' ' ASP . . . 58.75 34.92 79.47 Favored Glycine 0 N--CA 1.49 2.299 0 N-CA-C 110.464 -1.055 . . . . 0.0 110.464 179.409 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 66' ' ' ASP . . . . . 0.414 ' OD2' ' O ' ' B' ' 68' ' ' GLU . 43.0 p-10 -100.7 -16.64 17.3 Favored 'General case' 0 N--CA 1.502 2.148 0 O-C-N 121.008 -1.289 . . . . 0.0 110.402 -179.588 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 67' ' ' GLY . . . . . . . . . . . . . . . 76.98 -12.54 11.23 Favored Glycine 0 N--CA 1.494 2.557 0 N-CA-C 109.221 -1.552 . . . . 0.0 109.221 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 68' ' ' GLU . . . . . 0.414 ' O ' ' OD2' ' B' ' 66' ' ' ASP . 99.4 mt-10 -107.52 135.86 48.27 Favored 'General case' 0 N--CA 1.478 0.972 0 N-CA-C 105.987 -1.857 . . . . 0.0 105.987 179.355 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 69' ' ' VAL . . . . . 0.4 HG22 ' OD1' ' B' ' 62' ' ' ASP . 71.1 t -102.24 140.14 21.48 Favored 'Isoleucine or valine' 0 C--N 1.287 -2.127 0 O-C-N 121.249 -0.907 . . . . 0.0 110.381 -177.67 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 70' ' ' ASP . . . . . 0.544 ' O ' ' N ' ' B' ' 72' ' ' GLN . 91.4 m-20 -97.88 122.79 41.41 Favored 'General case' 0 N--CA 1.488 1.463 0 O-C-N 121.525 -0.734 . . . . 0.0 109.332 -179.707 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 71' ' ' PHE . . . . . 0.55 ' CD1' ' N ' ' B' ' 72' ' ' GLN . 54.8 p90 -27.21 -37.45 0.01 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 N-CA-C 112.044 0.387 . . . . 0.0 112.044 -179.799 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 72' ' ' GLN . . . . . 0.55 ' N ' ' CD1' ' B' ' 71' ' ' PHE . 63.3 tt0 -60.04 -41.88 93.22 Favored 'General case' 0 N--CA 1.497 1.879 0 O-C-N 120.912 -1.118 . . . . 0.0 110.013 -179.294 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 73' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' B' ' 70' ' ' ASP . 97.6 mt-10 -66.79 -40.05 88.02 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.155 -0.965 . . . . 0.0 109.698 -179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 74' ' ' PHE . . . . . . . . . . . . . 64.7 t80 -60.07 -40.09 88.28 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 112.543 0.571 . . . . 0.0 112.543 -178.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 75' ' ' VAL . . . . . . . . . . . . . 1.4 p -71.58 -36.4 59.82 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.848 0 O-C-N 121.006 -1.059 . . . . 0.0 111.352 -178.475 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 76' ' ' VAL . . . . . . . . . . . . . 66.1 t -67.94 -58.47 5.96 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.839 0 O-C-N 120.877 -1.139 . . . . 0.0 111.27 -178.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 77' ' ' LEU . . . . . . . . . . . . . 7.0 tt -70.01 -44.47 69.25 Favored 'General case' 0 N--CA 1.5 2.028 0 O-C-N 120.896 -1.127 . . . . 0.0 112.878 -176.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 78' ' ' VAL . . . . . . . . . . . . . 60.1 t -65.33 -39.35 85.05 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.835 0 O-C-N 120.612 -1.305 . . . . 0.0 110.579 -178.074 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 79' ' ' ALA . . . . . . . . . . . . . . . -78.15 -26.69 47.89 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.044 -1.035 . . . . 0.0 110.227 -179.471 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 80' ' ' ALA . . . . . . . . . . . . . . . -63.25 -21.71 66.41 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 120.744 -1.223 . . . . 0.0 109.702 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 81' ' ' LEU . . . . . 0.484 ' O ' ' SG ' ' B' ' 85' ' ' CYS . 23.6 mt -96.16 -25.05 15.99 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.419 -0.8 . . . . 0.0 109.701 179.152 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 82' ' ' THR . . . . . 0.46 ' CG2' ' N ' ' B' ' 83' ' ' VAL . 0.6 OUTLIER -69.76 -52.66 23.38 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 119.064 -1.054 . . . . 0.0 109.91 -178.33 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 83' ' ' VAL . . . . . 0.46 ' N ' ' CG2' ' B' ' 82' ' ' THR . 2.2 t -74.41 -39.14 48.05 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 O-C-N 120.812 -1.18 . . . . 0.0 109.61 179.422 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 84' ' ' ALA . . . . . . . . . . . . . . . -59.88 -35.73 75.44 Favored 'General case' 0 C--N 1.303 -1.437 0 O-C-N 121.21 -0.931 . . . . 0.0 109.738 -178.38 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 85' ' ' CYS . . . . . 0.484 ' SG ' ' O ' ' B' ' 81' ' ' LEU . 56.1 m -63.19 -39.82 95.74 Favored 'General case' 0 C--N 1.302 -1.48 0 O-C-N 121.255 -0.903 . . . . 0.0 109.463 179.457 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 86' ' ' ASN . . . . . . . . . . . . . 21.1 m120 -61.12 -40.09 92.48 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.398 -0.814 . . . . 0.0 109.595 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 87' ' ' ASN . . . . . . . . . . . . . 41.7 t30 -59.91 -43.52 94.83 Favored 'General case' 0 C--N 1.302 -1.489 0 O-C-N 121.528 -0.732 . . . . 0.0 110.528 -178.835 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 88' ' ' PHE . . . . . . . . . . . . . 42.9 m-85 -73.79 -23.46 59.69 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 120.972 -1.08 . . . . 0.0 109.996 -179.464 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 89' ' ' PHE . . . . . . . . . . . . . 67.5 m-85 51.16 78.62 0.11 Allowed 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.128 -0.982 . . . . 0.0 109.747 179.879 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 90' ' ' TRP . . . . . . . . . . . . . 66.7 p-90 -58.48 -20.06 42.23 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.006 -1.059 . . . . 0.0 109.333 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 91' ' ' GLU . . . . . . . . . . . . . 88.2 tt0 -68.79 -6.25 25.56 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 108.159 -1.052 . . . . 0.0 108.159 179.063 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 92' ' ' ASN . . . . . . . . . . . . . 63.7 t30 -78.69 -13.22 59.93 Favored 'General case' 0 N--CA 1.488 1.46 0 O-C-N 121.361 -0.837 . . . . 0.0 108.854 179.663 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 93' ' ' SER . . . . . . . . . . . . . 59.6 p . . . . . 0 C--N 1.302 -1.49 0 CA-C-O 118.203 -0.903 . . . . 0.0 109.531 -179.806 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 94' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ' CA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_