data_2m77_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 2m77 _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.477 0 N-CA-C 112.739 -0.144 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -104.13 129.61 51.84 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.0 m -93.63 141.17 28.78 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 121.489 0.661 . . . . 0.0 111.675 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -145.96 132.57 19.85 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.9 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.8 m -103.58 136.51 43.17 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.824 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.13 149.55 41.69 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.674 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 m -122.61 142.84 50.21 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -141.52 126.01 17.75 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 60.08 30.96 20.37 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 122.397 1.094 . . . . 0.0 110.304 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 12.17 83.84 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.614 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.62 125.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.4 m -101.34 129.82 47.41 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.965 0.888 . . . . 0.0 112.592 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -121.08 117.86 28.27 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.452 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.3 m -98.69 108.79 21.56 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -122.09 155.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.3 m -123.12 139.04 54.48 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.429 -1.497 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.157 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 N-CA-C 112.707 -0.157 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -98.53 121.74 40.85 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.8 m -92.09 131.18 37.55 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.967 0.889 . . . . 0.0 110.11 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -136.35 137.53 40.69 Favored 'General case' 0 C--N 1.265 -3.07 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.569 -172.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 m -104.07 135.94 44.63 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.08 152.54 48.57 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.611 -1.177 . . . . 0.0 107.977 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.0 m -124.02 153.98 40.54 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.379 -0.929 . . . . 0.0 111.134 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -158.43 134.34 9.07 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? 66.46 18.65 10.86 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.011 0.91 . . . . 0.0 109.907 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 2.26 89.69 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.185 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -106.03 133.6 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.29 128.46 54.76 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.322 0.582 . . . . 0.0 111.644 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -124.49 147.0 48.64 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.26 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -106.51 125.56 51.15 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.532 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -119.0 145.27 25.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 51.0 m -116.88 136.55 52.86 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.693 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.531 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . 0.402 ' CG ' HH21 ' A' ' 4' ' ' ARG . 9.7 t70 -112.95 128.52 56.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -176.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.3 m -90.11 130.04 36.32 Favored 'General case' 0 N--CA 1.416 -2.143 0 C-N-CA 117.834 -1.546 . . . . 0.0 108.267 173.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.402 HH21 ' CG ' ' A' ' 2' ' ' ASP . 9.8 ttm180 -141.67 144.34 34.07 Favored 'General case' 0 C--N 1.261 -3.273 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.291 -170.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 m -104.19 136.08 44.46 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 118.873 -1.131 . . . . 0.0 111.423 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.84 122.13 46.1 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.467 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.4 m -107.16 140.34 40.18 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.204 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -160.91 139.77 10.18 Favored 'General case' 0 C--N 1.284 -2.276 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.019 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 63.45 21.68 12.88 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.96 0.886 . . . . 0.0 111.128 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 6.31 74.08 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.934 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.37 139.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -106.9 122.75 47.04 Favored 'General case' 0 CA--C 1.49 -1.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.713 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -118.22 132.16 56.33 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.962 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.0 m -97.59 125.72 42.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.246 0.546 . . . . 0.0 111.92 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -128.54 155.59 40.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.1 m -114.45 133.72 55.54 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.343 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.312 -1.045 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.078 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.229 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -112.38 120.28 41.15 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.4 m -90.26 130.85 36.33 Favored 'General case' 0 CA--C 1.471 -2.061 0 CA-C-O 122.106 0.955 . . . . 0.0 110.265 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.56 126.1 23.6 Favored 'General case' 0 C--N 1.257 -3.415 0 CA-C-N 113.833 -1.53 . . . . 0.0 110.408 -173.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.7 m -100.44 143.72 30.29 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.502 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -138.92 161.11 38.13 Favored 'General case' 0 C--N 1.285 -2.231 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.254 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 m -135.26 153.34 51.94 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.577 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -159.99 129.26 5.14 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 66.83 18.74 10.68 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.111 0.957 . . . . 0.0 110.383 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.75 -1.01 85.15 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.846 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.93 126.74 52.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -107.23 127.19 53.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.718 0.77 . . . . 0.0 111.101 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -121.91 132.45 54.56 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.696 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.5 m -105.4 119.6 39.49 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.91 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.46 137.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.1 m -113.7 123.74 50.62 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.295 -1.798 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.857 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.355 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -93.67 122.22 35.91 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.9 m -97.41 130.59 44.52 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -140.49 157.81 44.95 Favored 'General case' 0 C--N 1.266 -3.058 0 CA-C-N 113.544 -1.662 . . . . 0.0 109.127 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.6 m -119.87 148.28 43.68 Favored 'General case' 0 C--N 1.286 -2.176 0 C-N-CA 119.542 -0.863 . . . . 0.0 111.578 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pp -131.56 164.73 25.19 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.465 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.2 m -129.78 152.16 49.57 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.015 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -153.51 122.66 6.54 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 58.79 37.83 24.86 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.888 1.328 . . . . 0.0 110.005 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 -3.46 58.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.471 -1.24 . . . . 0.0 113.432 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.95 123.83 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m -99.69 122.85 43.3 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.558 0.694 . . . . 0.0 110.857 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -122.9 157.44 32.56 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.039 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.1 m -117.96 143.1 46.66 Favored 'General case' 0 C--N 1.282 -2.348 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.117 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 tp -132.36 142.44 42.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m -114.99 127.73 55.85 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.477 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.421 -1.9 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.599 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.168 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -106.9 114.78 29.08 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.8 m -90.22 137.96 31.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-O 122.131 0.967 . . . . 0.0 112.259 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -139.61 131.17 27.12 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.329 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.9 m -104.23 128.9 52.01 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 122.024 0.916 . . . . 0.0 111.116 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.33 116.97 31.21 Favored 'General case' 0 C--N 1.274 -2.709 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.495 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 m -109.0 143.3 38.46 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.088 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -160.86 142.34 12.02 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 66.67 10.37 7.41 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.657 0.783 . . . . 0.0 111.435 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.11 -4.46 55.59 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.167 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p -119.21 141.14 40.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 117.605 0.703 . . . . 0.0 109.787 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.01 124.76 48.18 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.924 0.869 . . . . 0.0 112.226 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -98.95 105.76 17.94 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.35 110.65 22.19 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-O 121.484 0.659 . . . . 0.0 110.493 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mt -110.94 140.12 31.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.266 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.7 m -115.96 127.4 54.93 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.423 -1.811 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.302 0 N-CA-C 112.326 -0.309 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -106.98 121.36 44.3 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 63.1 m -90.83 138.27 31.72 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.867 0.841 . . . . 0.0 111.466 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.405 ' HE ' ' HB2' ' A' ' 4' ' ' ARG . 14.7 ttm180 -146.2 130.82 17.87 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.279 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.6 m -94.61 132.74 39.0 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.453 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -121.55 144.75 48.55 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.055 -1.43 . . . . 0.0 107.595 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.6 m -125.87 155.83 40.58 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.621 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -155.72 119.92 4.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 57.78 36.29 26.33 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 122.475 1.131 . . . . 0.0 111.403 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.3 76.27 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.343 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.06 116.91 46.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.7 m -104.69 126.81 52.14 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.358 0.599 . . . . 0.0 110.178 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.76 143.21 50.87 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.857 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.78 112.99 25.56 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.332 0.587 . . . . 0.0 111.091 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 tt -114.1 146.29 18.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.555 -176.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.2 m -111.12 141.93 43.97 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.427 -1.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.735 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.23 120.85 42.62 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 124.338 1.055 . . . . 0.0 108.388 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.5 m -92.04 131.51 37.26 Favored 'General case' 0 CA--C 1.481 -1.695 0 C-N-CA 119.157 -1.017 . . . . 0.0 111.375 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -124.51 127.26 47.18 Favored 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 113.47 -1.695 . . . . 0.0 108.786 -175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.9 m -103.11 134.65 46.17 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.494 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.77 144.0 49.96 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.646 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 m -115.6 146.63 41.61 Favored 'General case' 0 C--N 1.288 -2.078 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.689 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -160.57 143.49 13.2 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 69.73 5.63 5.31 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.195 0.998 . . . . 0.0 111.269 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.61 8.23 57.4 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 121.19 -0.528 . . . . 0.0 111.787 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.32 134.58 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-O 121.272 0.558 . . . . 0.0 109.834 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -94.16 121.78 36.01 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-O 121.963 0.887 . . . . 0.0 110.275 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -110.88 136.77 49.41 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 114.331 -1.304 . . . . 0.0 107.818 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.6 m -109.96 116.74 32.15 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.769 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.9 mt -104.66 134.74 45.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.3 m -112.43 131.08 55.74 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.346 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.302 -1.497 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.279 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.695 0 N-CA-C 113.244 0.058 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -119.29 143.24 47.45 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 4' ' ' ARG . 2.6 t -113.96 150.68 33.42 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 117.429 -1.708 . . . . 0.0 111.333 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 23.4 mmm180 -135.23 135.11 40.69 Favored 'General case' 0 C--N 1.276 -2.625 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.061 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.7 m -112.4 139.84 47.63 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.941 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.83 150.82 26.46 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.512 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.6 m -110.08 146.26 35.7 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -149.6 125.57 10.59 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 123.409 0.684 . . . . 0.0 109.796 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 63.43 23.96 13.92 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 122.229 1.014 . . . . 0.0 110.309 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.0 4.04 75.54 Favored Glycine 0 C--N 1.305 -1.155 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.505 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -113.36 128.49 70.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.01 130.06 45.33 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.458 0.647 . . . . 0.0 111.269 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -139.51 143.61 37.52 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.953 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -104.92 117.3 33.67 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.75 123.13 58.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 121.564 0.697 . . . . 0.0 109.405 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.87 132.29 45.32 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.428 -1.534 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.384 -178.002 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.977 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -96.89 115.43 27.42 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.0 m -90.55 133.28 35.19 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 121.99 0.9 . . . . 0.0 111.09 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -133.66 135.21 43.96 Favored 'General case' 0 C--N 1.271 -2.811 0 CA-C-N 113.754 -1.566 . . . . 0.0 110.035 -174.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.5 m -103.17 118.82 37.64 Favored 'General case' 0 N--CA 1.416 -2.165 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.5 tp -140.48 157.07 46.06 Favored 'General case' 0 C--N 1.254 -3.585 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.93 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 m -111.53 149.67 31.06 Favored 'General case' 0 N--CA 1.42 -1.972 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.214 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -154.01 132.86 12.35 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 124.738 1.215 . . . . 0.0 108.189 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 64.29 22.6 12.85 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 122.191 0.996 . . . . 0.0 110.144 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 6.17 88.96 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.667 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 135.0 55.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.92 128.98 45.96 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.126 0.489 . . . . 0.0 111.037 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -134.71 155.58 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.112 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.9 m -105.29 112.65 25.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.518 0.675 . . . . 0.0 109.328 174.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -116.3 143.66 25.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.796 -173.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.0 m -119.17 134.43 55.21 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.876 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.426 -1.635 0 CA-C-O 121.308 0.575 . . . . 0.0 110.616 178.105 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -131.02 133.83 46.11 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.701 0.8 . . . . 0.0 109.123 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.5 m -90.46 133.67 34.88 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.962 0.886 . . . . 0.0 111.673 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -132.63 139.52 47.79 Favored 'General case' 0 C--N 1.276 -2.597 0 CA-C-N 113.842 -1.526 . . . . 0.0 108.844 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.3 m -103.11 143.25 32.84 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.43 -175.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 tp -130.39 141.58 50.54 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 m -119.12 149.29 41.95 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.773 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -161.16 133.61 6.04 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.794 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 58.98 39.27 23.77 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.52 1.153 . . . . 0.0 110.137 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.87 3.51 68.33 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 114.168 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.3 t -113.03 129.41 68.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m -106.56 120.67 42.56 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.22 0.533 . . . . 0.0 110.326 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -123.28 147.38 47.02 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.472 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.8 m -107.7 128.28 54.42 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.768 0.794 . . . . 0.0 112.282 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 tt -112.61 150.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 m -119.3 130.95 55.66 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.912 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.306 -1.291 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -178.918 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.967 0 N-CA-C 112.044 -0.423 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -102.19 128.85 48.52 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.4 m -90.5 132.51 35.64 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-O 121.701 0.762 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -141.32 133.97 28.6 Favored 'General case' 0 C--N 1.264 -3.151 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.725 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.1 m -100.24 134.43 43.18 Favored 'General case' 0 C--N 1.291 -1.957 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.074 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -127.25 149.19 50.12 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.828 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 m -119.43 149.12 42.39 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.979 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -149.21 124.26 10.05 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.741 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 57.08 31.72 20.44 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.177 0.991 . . . . 0.0 109.92 -177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.0 -8.39 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.369 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.03 121.12 43.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -99.77 124.54 45.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.656 0.741 . . . . 0.0 111.456 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -116.84 139.13 50.97 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.73 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -108.89 123.65 49.41 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.842 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -133.41 153.93 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.7 m -113.08 133.1 55.16 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.776 -0.77 . . . . 0.0 108.943 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 m . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.719 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 N-CA-C 111.967 -0.453 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -128.33 133.57 48.72 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -94.77 139.44 31.27 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.755 0.788 . . . . 0.0 113.072 -174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -144.08 161.69 38.16 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.243 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.7 m -115.15 133.96 55.58 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.785 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.22 142.19 50.58 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.363 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.3 m -109.99 143.6 39.73 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.585 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -151.62 131.5 13.31 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -177.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 63.6 26.88 14.8 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.047 0.927 . . . . 0.0 110.298 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.84 4.47 89.49 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.447 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -112.87 132.46 61.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.9 m -98.11 129.98 44.9 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.362 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -126.85 142.12 51.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.1 m -104.64 107.25 18.1 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 122.113 0.959 . . . . 0.0 109.925 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.42 140.85 23.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.387 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.9 m -108.92 128.72 55.17 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.339 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.289 -2.039 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.225 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.987 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -110.94 127.88 55.63 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.4 m -91.87 144.53 25.39 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -159.97 165.48 31.92 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.915 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 28.8 m -108.49 134.76 50.83 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.602 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.11 145.58 51.7 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.204 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.8 m -113.24 153.06 28.98 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.258 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.5 134.7 11.3 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 124.588 1.155 . . . . 0.0 108.311 176.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 62.61 20.07 11.74 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.056 0.942 . . . . 0.0 111.476 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.58 6.4 80.51 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.8 t -111.13 128.54 67.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.8 m -104.19 130.93 51.95 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.125 0.488 . . . . 0.0 111.104 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -130.11 150.78 51.22 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.319 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.9 m -104.39 111.41 24.04 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.8 tp -133.52 156.37 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.547 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.955 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 m -106.83 147.61 29.52 Favored 'General case' 0 C--N 1.286 -2.162 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.643 -178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.486 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.281 0 N-CA-C 112.196 -0.361 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -110.75 142.19 43.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 33.0 m -94.64 131.82 40.02 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 122.393 1.092 . . . . 0.0 113.608 -174.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -135.96 136.39 40.36 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 113.164 -1.835 . . . . 0.0 106.601 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.2 m -92.85 141.24 28.65 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 118.567 -1.253 . . . . 0.0 112.193 -175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.12 167.66 21.57 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 m -124.68 155.68 38.83 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.726 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -149.65 123.47 9.29 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 66.69 21.73 10.54 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 122.914 1.34 . . . . 0.0 108.785 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.24 -5.53 76.47 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.728 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.81 126.71 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.76 132.74 35.66 Favored 'General case' 0 C--N 1.277 -2.572 0 CA-C-O 121.547 0.689 . . . . 0.0 111.948 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -129.3 159.95 34.54 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.063 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.9 m -108.37 115.8 30.79 Favored 'General case' 0 N--CA 1.408 -2.544 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.34 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -104.35 153.43 6.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -173.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 29.7 m -119.43 123.92 45.27 Favored 'General case' 0 C--N 1.284 -2.257 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.092 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.413 -2.318 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.805 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.364 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -120.21 133.46 55.48 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.4 m -102.65 143.23 32.59 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -146.09 141.06 27.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.569 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 26.6 m -98.74 134.85 41.06 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.584 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.09 153.66 51.25 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.855 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 m -120.59 148.71 43.53 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.219 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -135.05 119.2 17.62 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 62.85 17.64 10.11 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.008 0.923 . . . . 0.0 111.231 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 -7.31 59.63 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.002 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.9 t -93.41 117.16 36.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.6 m -92.96 132.29 37.2 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.326 0.584 . . . . 0.0 111.654 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -134.81 132.69 38.96 Favored 'General case' 0 N--CA 1.418 -2.046 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.568 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.9 m -89.8 112.87 24.31 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.551 175.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.07 146.78 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.416 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -110.95 144.45 40.01 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.678 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.085 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.145 0 N-CA-C 112.855 -0.098 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -131.66 136.17 47.48 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 37.6 m -95.58 141.45 29.08 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.24 -177.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -131.26 163.83 26.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.3 m -122.65 147.58 46.28 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.0 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -149.85 162.19 40.79 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.628 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 m -123.09 142.81 50.47 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -158.46 144.61 17.07 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 64.31 19.32 11.74 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-O 122.353 1.073 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.81 8.82 85.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.144 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.7 141.17 46.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 117.631 0.716 . . . . 0.0 109.323 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -94.66 131.3 40.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.902 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -139.79 164.59 29.55 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.415 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.1 m -123.42 131.35 53.62 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 120.249 -0.581 . . . . 0.0 110.739 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -121.04 141.85 39.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.5 m -105.04 136.8 43.85 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.921 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.439 -1.019 0 CA-C-O 121.362 0.601 . . . . 0.0 109.871 179.28 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.802 0 N-CA-C 112.663 -0.175 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -132.61 132.27 42.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.9 m -90.44 133.44 35.03 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 122.017 0.913 . . . . 0.0 111.006 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -135.91 126.49 27.05 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.017 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.4 m -95.74 138.01 33.99 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.314 175.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -129.39 135.8 49.16 Favored 'General case' 0 C--N 1.274 -2.675 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.99 139.23 52.8 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -149.45 137.81 20.75 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 59.72 29.33 18.89 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.521 1.128 . . . . 0.0 111.691 173.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.14 11.43 67.25 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 113.953 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.51 129.64 59.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.411 1.106 . . . . 0.0 111.284 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.3 m -94.8 127.37 40.75 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 121.474 0.654 . . . . 0.0 110.809 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -122.78 143.89 49.54 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -115.14 123.78 49.8 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.683 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.3 tp -127.21 154.19 37.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.4 m -118.87 128.36 54.37 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.305 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.417 -2.081 0 CA-C-O 121.324 0.583 . . . . 0.0 110.293 -179.611 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.428 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -122.18 151.29 41.15 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.3 t -131.91 163.03 29.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 117.532 -1.667 . . . . 0.0 111.408 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -147.14 126.01 12.73 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.389 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.9 m -105.78 140.46 38.79 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.724 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -143.1 159.17 42.77 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.081 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -130.3 155.28 46.59 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -151.99 119.22 5.92 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 59.61 27.07 16.21 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.714 1.205 . . . . 0.0 112.335 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.86 -7.37 55.17 Favored Glycine 0 C--N 1.311 -0.838 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.813 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.68 116.85 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.6 m -100.05 128.44 46.13 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -132.33 141.72 49.05 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.928 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -109.11 126.63 53.4 Favored 'General case' 0 C--N 1.291 -1.974 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.546 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.0 mm -104.96 106.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.6 m -108.74 130.7 55.37 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.317 -0.821 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.531 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.521 0 CA-C-O 120.309 -0.162 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.56 161.17 21.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 m -111.93 137.45 49.9 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.676 -174.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -140.09 140.57 36.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.451 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.2 m -95.21 147.72 23.16 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 tp -149.99 153.16 36.08 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 6.5 m -102.59 147.65 26.53 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 118.551 -1.26 . . . . 0.0 111.536 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -135.39 120.22 18.47 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 59.85 26.64 15.86 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 122.251 1.024 . . . . 0.0 111.609 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.85 4.77 74.98 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.216 -0.993 . . . . 0.0 113.545 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -120.68 130.89 74.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.1 m -90.81 124.83 35.45 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.932 0.872 . . . . 0.0 111.889 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -126.18 164.49 20.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.143 -1.39 . . . . 0.0 108.633 -174.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -117.0 123.36 46.7 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 118.966 -1.094 . . . . 0.0 112.17 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 tp -110.17 152.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.2 m -115.87 133.8 55.65 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.441 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.436 -1.172 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -177.544 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.477 0 N-CA-C 112.739 -0.144 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -104.13 129.61 51.84 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 79.0 m -93.63 141.17 28.78 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 121.489 0.661 . . . . 0.0 111.675 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -145.96 132.57 19.85 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.9 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 78.8 m -103.58 136.51 43.17 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.824 175.047 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.13 149.55 41.69 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.674 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 m -122.61 142.84 50.21 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -141.52 126.01 17.75 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 60.08 30.96 20.37 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 122.397 1.094 . . . . 0.0 110.304 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 12.17 83.84 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.614 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.62 125.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.4 m -101.34 129.82 47.41 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.965 0.888 . . . . 0.0 112.592 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -121.08 117.86 28.27 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.452 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 92.3 m -98.69 108.79 21.56 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.093 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -122.09 155.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -174.587 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 42.3 m -123.12 139.04 54.48 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.0 m -145.67 134.8 22.77 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 . . . . . 0 N--CA 1.493 1.711 0 C-N-CA 125.121 1.369 . . . . 0.0 111.165 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 N-CA-C 112.707 -0.157 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -98.53 121.74 40.85 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.8 m -92.09 131.18 37.55 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.967 0.889 . . . . 0.0 110.11 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -136.35 137.53 40.69 Favored 'General case' 0 C--N 1.265 -3.07 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.569 -172.537 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 31.1 m -104.07 135.94 44.63 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.912 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.08 152.54 48.57 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.611 -1.177 . . . . 0.0 107.977 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.0 m -124.02 153.98 40.54 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.379 -0.929 . . . . 0.0 111.134 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -158.43 134.34 9.07 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? 66.46 18.65 10.86 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.011 0.91 . . . . 0.0 109.907 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 2.26 89.69 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.185 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -106.03 133.6 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.29 128.46 54.76 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.322 0.582 . . . . 0.0 111.644 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -124.49 147.0 48.64 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.26 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 58.6 m -106.51 125.56 51.15 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.532 -179.179 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -119.0 145.27 25.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 51.0 m -116.88 136.55 52.86 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.693 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -144.83 134.88 23.92 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 . . . . . 0 N--CA 1.479 0.992 0 C-N-CA 124.733 1.213 . . . . 0.0 110.475 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . 0.402 ' CG ' HH21 ' A' ' 4' ' ' ARG . 9.7 t70 -112.95 128.52 56.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -176.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 86.3 m -90.11 130.04 36.32 Favored 'General case' 0 N--CA 1.416 -2.143 0 C-N-CA 117.834 -1.546 . . . . 0.0 108.267 173.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.402 HH21 ' CG ' ' A' ' 2' ' ' ASP . 9.8 ttm180 -141.67 144.34 34.07 Favored 'General case' 0 C--N 1.261 -3.273 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.291 -170.232 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.2 m -104.19 136.08 44.46 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 118.873 -1.131 . . . . 0.0 111.423 -176.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.84 122.13 46.1 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.467 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 24.4 m -107.16 140.34 40.18 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.204 179.022 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -160.91 139.77 10.18 Favored 'General case' 0 C--N 1.284 -2.276 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.019 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 63.45 21.68 12.88 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.96 0.886 . . . . 0.0 111.128 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 6.31 74.08 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.934 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.37 139.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.1 m -106.9 122.75 47.04 Favored 'General case' 0 CA--C 1.49 -1.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.713 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -118.22 132.16 56.33 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.962 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.0 m -97.59 125.72 42.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.246 0.546 . . . . 0.0 111.92 -177.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -128.54 155.59 40.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 34.1 m -114.45 133.72 55.54 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.343 178.688 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -151.27 145.33 25.28 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 . . . . . 0 N--CA 1.503 2.207 0 CA-C-O 122.582 1.182 . . . . 0.0 111.168 177.014 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.229 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -112.38 120.28 41.15 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 75.4 m -90.26 130.85 36.33 Favored 'General case' 0 CA--C 1.471 -2.061 0 CA-C-O 122.106 0.955 . . . . 0.0 110.265 177.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.56 126.1 23.6 Favored 'General case' 0 C--N 1.257 -3.415 0 CA-C-N 113.833 -1.53 . . . . 0.0 110.408 -173.421 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.7 m -100.44 143.72 30.29 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.502 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -138.92 161.11 38.13 Favored 'General case' 0 C--N 1.285 -2.231 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.254 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 m -135.26 153.34 51.94 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.577 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -159.99 129.26 5.14 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 66.83 18.74 10.68 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.111 0.957 . . . . 0.0 110.383 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.75 -1.01 85.15 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.846 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.93 126.74 52.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -107.23 127.19 53.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.718 0.77 . . . . 0.0 111.101 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -121.91 132.45 54.56 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.696 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.41 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.5 m -105.4 119.6 39.49 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.91 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.46 137.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 81.1 m -113.7 123.74 50.62 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 176.585 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 m -145.5 140.75 27.73 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 125.214 1.405 . . . . 0.0 110.713 179.229 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.355 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -93.67 122.22 35.91 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 62.9 m -97.41 130.59 44.52 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.884 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -140.49 157.81 44.95 Favored 'General case' 0 C--N 1.266 -3.058 0 CA-C-N 113.544 -1.662 . . . . 0.0 109.127 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 42.6 m -119.87 148.28 43.68 Favored 'General case' 0 C--N 1.286 -2.176 0 C-N-CA 119.542 -0.863 . . . . 0.0 111.578 -176.521 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pp -131.56 164.73 25.19 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.465 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.2 m -129.78 152.16 49.57 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.015 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -153.51 122.66 6.54 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 58.79 37.83 24.86 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.888 1.328 . . . . 0.0 110.005 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 -3.46 58.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.471 -1.24 . . . . 0.0 113.432 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.95 123.83 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m -99.69 122.85 43.3 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.558 0.694 . . . . 0.0 110.857 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -122.9 157.44 32.56 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.039 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 62.1 m -117.96 143.1 46.66 Favored 'General case' 0 C--N 1.282 -2.348 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.117 -176.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 tp -132.36 142.44 42.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 60.1 m -114.99 127.73 55.85 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.477 177.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -133.96 132.11 39.78 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 122.905 1.336 . . . . 0.0 109.375 -178.531 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.168 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -106.9 114.78 29.08 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 66.8 m -90.22 137.96 31.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-O 122.131 0.967 . . . . 0.0 112.259 -177.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -139.61 131.17 27.12 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.329 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 58.9 m -104.23 128.9 52.01 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 122.024 0.916 . . . . 0.0 111.116 178.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.33 116.97 31.21 Favored 'General case' 0 C--N 1.274 -2.709 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.495 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 m -109.0 143.3 38.46 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.088 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -160.86 142.34 12.02 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 66.67 10.37 7.41 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.657 0.783 . . . . 0.0 111.435 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.11 -4.46 55.59 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.167 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p -119.21 141.14 40.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 117.605 0.703 . . . . 0.0 109.787 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.01 124.76 48.18 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.924 0.869 . . . . 0.0 112.226 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -98.95 105.76 17.94 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 71.6 m -93.35 110.65 22.19 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-O 121.484 0.659 . . . . 0.0 110.493 -178.793 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mt -110.94 140.12 31.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.266 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.7 m -115.96 127.4 54.93 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.006 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m -128.89 124.11 34.38 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 . . . . . 0 C--N 1.306 -1.295 0 C-N-CA 125.159 1.384 . . . . 0.0 111.84 178.502 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.302 0 N-CA-C 112.326 -0.309 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -106.98 121.36 44.3 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 63.1 m -90.83 138.27 31.72 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.867 0.841 . . . . 0.0 111.466 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.405 ' HE ' ' HB2' ' A' ' 4' ' ' ARG . 14.7 ttm180 -146.2 130.82 17.87 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.279 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 27.6 m -94.61 132.74 39.0 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.453 177.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -121.55 144.75 48.55 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.055 -1.43 . . . . 0.0 107.595 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.6 m -125.87 155.83 40.58 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.621 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -155.72 119.92 4.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 57.78 36.29 26.33 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 122.475 1.131 . . . . 0.0 111.403 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.3 76.27 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.343 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.06 116.91 46.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.7 m -104.69 126.81 52.14 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.358 0.599 . . . . 0.0 110.178 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.76 143.21 50.87 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.857 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 67.9 m -108.78 112.99 25.56 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.332 0.587 . . . . 0.0 111.091 -176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 tt -114.1 146.29 18.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.555 -176.574 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.2 m -111.12 141.93 43.97 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -142.99 126.2 16.49 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 125.848 1.659 . . . . 0.0 111.706 178.346 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.23 120.85 42.62 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 124.338 1.055 . . . . 0.0 108.388 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 64.5 m -92.04 131.51 37.26 Favored 'General case' 0 CA--C 1.481 -1.695 0 C-N-CA 119.157 -1.017 . . . . 0.0 111.375 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -124.51 127.26 47.18 Favored 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 113.47 -1.695 . . . . 0.0 108.786 -175.609 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 39.9 m -103.11 134.65 46.17 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.494 -179.203 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.77 144.0 49.96 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.646 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.9 m -115.6 146.63 41.61 Favored 'General case' 0 C--N 1.288 -2.078 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.689 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -160.57 143.49 13.2 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 69.73 5.63 5.31 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.195 0.998 . . . . 0.0 111.269 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.61 8.23 57.4 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 121.19 -0.528 . . . . 0.0 111.787 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.32 134.58 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-O 121.272 0.558 . . . . 0.0 109.834 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.7 m -94.16 121.78 36.01 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-O 121.963 0.887 . . . . 0.0 110.275 177.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -110.88 136.77 49.41 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 114.331 -1.304 . . . . 0.0 107.818 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 82.6 m -109.96 116.74 32.15 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.769 176.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.9 mt -104.66 134.74 45.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 56.3 m -112.43 131.08 55.74 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.346 -178.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.0 m -148.34 141.8 25.33 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 . . . . . 0 N--CA 1.492 1.647 0 C-N-CA 124.451 1.1 . . . . 0.0 110.022 -179.218 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.695 0 N-CA-C 113.244 0.058 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -119.29 143.24 47.45 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.439 ' O ' ' HD2' ' A' ' 4' ' ' ARG . 2.6 t -113.96 150.68 33.42 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 117.429 -1.708 . . . . 0.0 111.333 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . 0.439 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 23.4 mmm180 -135.23 135.11 40.69 Favored 'General case' 0 C--N 1.276 -2.625 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.061 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 67.7 m -112.4 139.84 47.63 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.941 176.466 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.83 150.82 26.46 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.512 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 29.6 m -110.08 146.26 35.7 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 175.616 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -149.6 125.57 10.59 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 123.409 0.684 . . . . 0.0 109.796 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 63.43 23.96 13.92 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 122.229 1.014 . . . . 0.0 110.309 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.0 4.04 75.54 Favored Glycine 0 C--N 1.305 -1.155 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.505 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -113.36 128.49 70.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.1 m -99.01 130.06 45.33 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.458 0.647 . . . . 0.0 111.269 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -139.51 143.61 37.52 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.953 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 85.0 m -104.92 117.3 33.67 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.75 123.13 58.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 121.564 0.697 . . . . 0.0 109.405 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 62.4 m -99.87 132.29 45.32 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -179.585 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -143.52 131.2 21.31 Favored 'General case' 0 N--CA 1.428 -1.534 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.384 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 . . . . . 0 C--N 1.304 -1.41 0 C-N-CA 125.91 1.684 . . . . 0.0 112.556 174.825 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.977 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -96.89 115.43 27.42 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 73.0 m -90.55 133.28 35.19 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 121.99 0.9 . . . . 0.0 111.09 178.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -133.66 135.21 43.96 Favored 'General case' 0 C--N 1.271 -2.811 0 CA-C-N 113.754 -1.566 . . . . 0.0 110.035 -174.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 59.5 m -103.17 118.82 37.64 Favored 'General case' 0 N--CA 1.416 -2.165 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.5 tp -140.48 157.07 46.06 Favored 'General case' 0 C--N 1.254 -3.585 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.93 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 8.1 m -111.53 149.67 31.06 Favored 'General case' 0 N--CA 1.42 -1.972 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.214 -178.825 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -154.01 132.86 12.35 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 124.738 1.215 . . . . 0.0 108.189 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 64.29 22.6 12.85 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 122.191 0.996 . . . . 0.0 110.144 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 6.17 88.96 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.667 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 135.0 55.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.3 m -99.92 128.98 45.96 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.126 0.489 . . . . 0.0 111.037 -178.691 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -134.71 155.58 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.112 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 78.9 m -105.29 112.65 25.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.518 0.675 . . . . 0.0 109.328 174.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -116.3 143.66 25.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.796 -173.392 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 58.0 m -119.17 134.43 55.21 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.876 178.411 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t -142.8 132.11 23.42 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 121.308 0.575 . . . . 0.0 110.616 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 . . . . . 0 N--CA 1.499 2.002 0 C-N-CA 125.189 1.396 . . . . 0.0 111.149 -179.071 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -131.02 133.83 46.11 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.701 0.8 . . . . 0.0 109.123 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 63.5 m -90.46 133.67 34.88 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.962 0.886 . . . . 0.0 111.673 -179.806 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -132.63 139.52 47.79 Favored 'General case' 0 C--N 1.276 -2.597 0 CA-C-N 113.842 -1.526 . . . . 0.0 108.844 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.3 m -103.11 143.25 32.84 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.43 -175.415 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 tp -130.39 141.58 50.54 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 m -119.12 149.29 41.95 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.773 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -161.16 133.61 6.04 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.794 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 58.98 39.27 23.77 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.52 1.153 . . . . 0.0 110.137 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.87 3.51 68.33 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 114.168 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.3 t -113.03 129.41 68.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m -106.56 120.67 42.56 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.22 0.533 . . . . 0.0 110.326 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -123.28 147.38 47.02 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.472 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.8 m -107.7 128.28 54.42 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.768 0.794 . . . . 0.0 112.282 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 tt -112.61 150.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 28.9 m -119.3 130.95 55.66 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.912 -179.326 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m -149.6 149.62 30.95 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 . . . . . 0 N--CA 1.506 2.336 0 CA-C-O 123.13 1.443 . . . . 0.0 109.59 -178.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.967 0 N-CA-C 112.044 -0.423 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -102.19 128.85 48.52 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.4 m -90.5 132.51 35.64 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-O 121.701 0.762 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -141.32 133.97 28.6 Favored 'General case' 0 C--N 1.264 -3.151 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.725 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 57.1 m -100.24 134.43 43.18 Favored 'General case' 0 C--N 1.291 -1.957 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.074 175.652 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -127.25 149.19 50.12 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.828 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 23.3 m -119.43 149.12 42.39 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.979 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -149.21 124.26 10.05 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.741 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 57.08 31.72 20.44 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.177 0.991 . . . . 0.0 109.92 -177.561 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.0 -8.39 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.369 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.03 121.12 43.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -99.77 124.54 45.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.656 0.741 . . . . 0.0 111.456 -179.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -116.84 139.13 50.97 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.73 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 79.3 m -108.89 123.65 49.41 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.842 177.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -133.41 153.93 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.7 m -113.08 133.1 55.16 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.776 -0.77 . . . . 0.0 108.943 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 m -139.58 133.59 30.96 Favored 'General case' 0 N--CA 1.426 -1.642 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.6 ttp180 . . . . . 0 N--CA 1.489 1.505 0 C-N-CA 125.792 1.637 . . . . 0.0 111.085 -178.716 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 N-CA-C 111.967 -0.453 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -128.33 133.57 48.72 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 57.8 m -94.77 139.44 31.27 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.755 0.788 . . . . 0.0 113.072 -174.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -144.08 161.69 38.16 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.243 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 34.7 m -115.15 133.96 55.58 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.785 -179.474 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.22 142.19 50.58 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.363 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 16.3 m -109.99 143.6 39.73 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.585 177.603 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -151.62 131.5 13.31 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -177.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 63.6 26.88 14.8 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.047 0.927 . . . . 0.0 110.298 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.84 4.47 89.49 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.447 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -112.87 132.46 61.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 85.9 m -98.11 129.98 44.9 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.362 178.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -126.85 142.12 51.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.1 m -104.64 107.25 18.1 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 122.113 0.959 . . . . 0.0 109.925 178.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.42 140.85 23.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.387 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 31.9 m -108.92 128.72 55.17 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.339 179.638 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -140.78 144.96 35.75 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 122.735 1.255 . . . . 0.0 109.744 -178.605 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.987 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -110.94 127.88 55.63 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 60.4 m -91.87 144.53 25.39 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -176.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -159.97 165.48 31.92 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.915 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 28.8 m -108.49 134.76 50.83 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.602 176.669 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.11 145.58 51.7 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.204 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 22.8 m -113.24 153.06 28.98 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.258 178.129 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.5 134.7 11.3 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 124.588 1.155 . . . . 0.0 108.311 176.777 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 62.61 20.07 11.74 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.056 0.942 . . . . 0.0 111.476 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.58 6.4 80.51 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.8 t -111.13 128.54 67.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 64.8 m -104.19 130.93 51.95 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.125 0.488 . . . . 0.0 111.104 179.622 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -130.11 150.78 51.22 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.319 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 80.9 m -104.39 111.41 24.04 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.8 tp -133.52 156.37 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.547 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.955 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 30.1 m -106.83 147.61 29.52 Favored 'General case' 0 C--N 1.286 -2.162 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.643 -178.326 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -139.99 131.36 26.81 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 . . . . . 0 N--CA 1.489 1.506 0 C-N-CA 125.429 1.492 . . . . 0.0 112.052 176.09 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.281 0 N-CA-C 112.196 -0.361 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -110.75 142.19 43.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 33.0 m -94.64 131.82 40.02 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 122.393 1.092 . . . . 0.0 113.608 -174.732 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -135.96 136.39 40.36 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 113.164 -1.835 . . . . 0.0 106.601 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 26.2 m -92.85 141.24 28.65 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 118.567 -1.253 . . . . 0.0 112.193 -175.406 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.12 167.66 21.57 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.3 m -124.68 155.68 38.83 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.726 -176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -149.65 123.47 9.29 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 66.69 21.73 10.54 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 122.914 1.34 . . . . 0.0 108.785 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.24 -5.53 76.47 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.728 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.81 126.71 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 78.6 m -90.76 132.74 35.66 Favored 'General case' 0 C--N 1.277 -2.572 0 CA-C-O 121.547 0.689 . . . . 0.0 111.948 -175.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -129.3 159.95 34.54 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.063 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 66.9 m -108.37 115.8 30.79 Favored 'General case' 0 N--CA 1.408 -2.544 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.34 179.753 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -104.35 153.43 6.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -173.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.416 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 29.7 m -119.43 123.92 45.27 Favored 'General case' 0 C--N 1.284 -2.257 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.092 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 t -128.86 135.71 49.46 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 125.216 1.406 . . . . 0.0 109.528 -176.478 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.364 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -120.21 133.46 55.48 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 38.4 m -102.65 143.23 32.59 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -146.09 141.06 27.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.569 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 26.6 m -98.74 134.85 41.06 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.584 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.09 153.66 51.25 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.855 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.5 m -120.59 148.71 43.53 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.219 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -135.05 119.2 17.62 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 62.85 17.64 10.11 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.008 0.923 . . . . 0.0 111.231 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 -7.31 59.63 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.002 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.9 t -93.41 117.16 36.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.6 m -92.96 132.29 37.2 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.326 0.584 . . . . 0.0 111.654 -177.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -134.81 132.69 38.96 Favored 'General case' 0 N--CA 1.418 -2.046 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.568 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.9 m -89.8 112.87 24.31 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.551 175.175 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.07 146.78 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.416 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 59.6 m -110.95 144.45 40.01 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.678 179.702 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m -145.7 130.14 17.79 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? . . . . . 0 N--CA 1.486 1.37 0 C-N-CA 125.281 1.432 . . . . 0.0 111.354 -179.292 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.145 0 N-CA-C 112.855 -0.098 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -131.66 136.17 47.48 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 37.6 m -95.58 141.45 29.08 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.24 -177.198 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -131.26 163.83 26.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.3 m -122.65 147.58 46.28 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.0 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -149.85 162.19 40.79 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.628 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 13.9 m -123.09 142.81 50.47 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.368 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -158.46 144.61 17.07 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 64.31 19.32 11.74 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-O 122.353 1.073 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.81 8.82 85.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.144 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.7 141.17 46.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 117.631 0.716 . . . . 0.0 109.323 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.4 m -94.66 131.3 40.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.902 178.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -139.79 164.59 29.55 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.415 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.1 m -123.42 131.35 53.62 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 120.249 -0.581 . . . . 0.0 110.739 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -121.04 141.85 39.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.5 m -105.04 136.8 43.85 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.921 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -150.48 137.7 19.46 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.362 0.601 . . . . 0.0 109.871 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 126.304 1.842 . . . . 0.0 112.529 175.546 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.802 0 N-CA-C 112.663 -0.175 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -132.61 132.27 42.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 85.9 m -90.44 133.44 35.03 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 122.017 0.913 . . . . 0.0 111.006 178.202 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -135.91 126.49 27.05 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.017 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 60.4 m -95.74 138.01 33.99 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.314 175.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -129.39 135.8 49.16 Favored 'General case' 0 C--N 1.274 -2.675 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.99 139.23 52.8 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -149.45 137.81 20.75 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 59.72 29.33 18.89 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.521 1.128 . . . . 0.0 111.691 173.535 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.14 11.43 67.25 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 113.953 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.51 129.64 59.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.411 1.106 . . . . 0.0 111.284 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.3 m -94.8 127.37 40.75 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 121.474 0.654 . . . . 0.0 110.809 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -122.78 143.89 49.54 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 83.5 m -115.14 123.78 49.8 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.683 -179.129 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.3 tp -127.21 154.19 37.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 47.4 m -118.87 128.36 54.37 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.305 178.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 t -142.78 139.42 30.99 Favored 'General case' 0 N--CA 1.417 -2.081 0 CA-C-O 121.324 0.583 . . . . 0.0 110.293 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 C--N 1.321 -0.65 0 CA-C-O 123.509 1.623 . . . . 0.0 111.573 176.33 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.428 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -122.18 151.29 41.15 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 10.3 t -131.91 163.03 29.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 117.532 -1.667 . . . . 0.0 111.408 -176.761 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -147.14 126.01 12.73 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.389 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 61.9 m -105.78 140.46 38.79 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.724 178.462 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -143.1 159.17 42.77 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.081 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -130.3 155.28 46.59 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -151.99 119.22 5.92 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 59.61 27.07 16.21 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.714 1.205 . . . . 0.0 112.335 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.86 -7.37 55.17 Favored Glycine 0 C--N 1.311 -0.838 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.813 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.68 116.85 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.6 m -100.05 128.44 46.13 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -132.33 141.72 49.05 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.928 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 73.2 m -109.11 126.63 53.4 Favored 'General case' 0 C--N 1.291 -1.974 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.546 178.471 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.0 mm -104.96 106.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 48.6 m -108.74 130.7 55.37 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.151 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -156.57 146.39 20.95 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 . . . . . 0 N--CA 1.5 2.068 0 CA-C-O 123.132 1.444 . . . . 0.0 111.287 176.245 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.521 0 CA-C-O 120.309 -0.162 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.56 161.17 21.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' CYS . . . . . . . . . . . . . 48.4 m -111.93 137.45 49.9 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.676 -174.804 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -140.09 140.57 36.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.451 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.2 m -95.21 147.72 23.16 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.497 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 tp -149.99 153.16 36.08 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 6.5 m -102.59 147.65 26.53 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 118.551 -1.26 . . . . 0.0 111.536 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -135.39 120.22 18.47 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 59.85 26.64 15.86 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 122.251 1.024 . . . . 0.0 111.609 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.85 4.77 74.98 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.216 -0.993 . . . . 0.0 113.545 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -120.68 130.89 74.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.418 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.1 m -90.81 124.83 35.45 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.932 0.872 . . . . 0.0 111.889 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -126.18 164.49 20.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.143 -1.39 . . . . 0.0 108.633 -174.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -117.0 123.36 46.7 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 118.966 -1.094 . . . . 0.0 112.17 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 tp -110.17 152.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' CYS . . . . . . . . . . . . . 43.2 m -115.87 133.8 55.65 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.441 -179.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -142.94 139.85 30.88 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 125.071 1.348 . . . . 0.0 110.581 179.534 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.477 0 N-CA-C 112.739 -0.144 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -104.13 129.61 51.84 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.0 m -93.63 141.17 28.78 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 121.489 0.661 . . . . 0.0 111.675 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -145.96 132.57 19.85 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.9 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.8 m -103.58 136.51 43.17 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.824 175.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.13 149.55 41.69 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.674 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 m -122.61 142.84 50.21 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -141.52 126.01 17.75 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 60.08 30.96 20.37 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 122.397 1.094 . . . . 0.0 110.304 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 12.17 83.84 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.614 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.62 125.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.4 m -101.34 129.82 47.41 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.965 0.888 . . . . 0.0 112.592 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -121.08 117.86 28.27 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.452 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.3 m -98.69 108.79 21.56 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.093 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -122.09 155.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 42.3 m -123.12 139.04 54.48 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.429 -1.497 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.157 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 N-CA-C 112.707 -0.157 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -98.53 121.74 40.85 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.8 m -92.09 131.18 37.55 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.967 0.889 . . . . 0.0 110.11 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -136.35 137.53 40.69 Favored 'General case' 0 C--N 1.265 -3.07 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.569 -172.537 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 31.1 m -104.07 135.94 44.63 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.08 152.54 48.57 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.611 -1.177 . . . . 0.0 107.977 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.0 m -124.02 153.98 40.54 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.379 -0.929 . . . . 0.0 111.134 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -158.43 134.34 9.07 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? 66.46 18.65 10.86 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.011 0.91 . . . . 0.0 109.907 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 2.26 89.69 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.185 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -106.03 133.6 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.29 128.46 54.76 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.322 0.582 . . . . 0.0 111.644 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -124.49 147.0 48.64 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.26 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.6 m -106.51 125.56 51.15 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.532 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -119.0 145.27 25.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 51.0 m -116.88 136.55 52.86 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.693 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.531 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 4' ' ' ARG . 9.7 t70 -112.95 128.52 56.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -176.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.3 m -90.11 130.04 36.32 Favored 'General case' 0 N--CA 1.416 -2.143 0 C-N-CA 117.834 -1.546 . . . . 0.0 108.267 173.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.418 HH21 ' CG ' ' A' ' 2' ' ' ASP . 9.8 ttm180 -141.67 144.34 34.07 Favored 'General case' 0 C--N 1.261 -3.273 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.291 -170.232 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.2 m -104.19 136.08 44.46 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 118.873 -1.131 . . . . 0.0 111.423 -176.151 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.84 122.13 46.1 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.467 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 24.4 m -107.16 140.34 40.18 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.204 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -160.91 139.77 10.18 Favored 'General case' 0 C--N 1.284 -2.276 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.019 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 63.45 21.68 12.88 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.96 0.886 . . . . 0.0 111.128 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 6.31 74.08 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.934 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.37 139.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.1 m -106.9 122.75 47.04 Favored 'General case' 0 CA--C 1.49 -1.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.713 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -118.22 132.16 56.33 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.962 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.0 m -97.59 125.72 42.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.246 0.546 . . . . 0.0 111.92 -177.433 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -128.54 155.59 40.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.1 m -114.45 133.72 55.54 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.343 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.312 -1.045 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.078 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.229 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -112.38 120.28 41.15 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 75.4 m -90.26 130.85 36.33 Favored 'General case' 0 CA--C 1.471 -2.061 0 CA-C-O 122.106 0.955 . . . . 0.0 110.265 177.313 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.56 126.1 23.6 Favored 'General case' 0 C--N 1.257 -3.415 0 CA-C-N 113.833 -1.53 . . . . 0.0 110.408 -173.421 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.7 m -100.44 143.72 30.29 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.502 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -138.92 161.11 38.13 Favored 'General case' 0 C--N 1.285 -2.231 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.254 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 m -135.26 153.34 51.94 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.577 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -159.99 129.26 5.14 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 66.83 18.74 10.68 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.111 0.957 . . . . 0.0 110.383 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.75 -1.01 85.15 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.846 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.93 126.74 52.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -107.23 127.19 53.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.718 0.77 . . . . 0.0 111.101 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -121.91 132.45 54.56 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.696 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.5 m -105.4 119.6 39.49 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.91 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.46 137.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.1 m -113.7 123.74 50.62 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.295 -1.798 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.857 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.355 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -93.67 122.22 35.91 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.9 m -97.41 130.59 44.52 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.884 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -140.49 157.81 44.95 Favored 'General case' 0 C--N 1.266 -3.058 0 CA-C-N 113.544 -1.662 . . . . 0.0 109.127 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 42.6 m -119.87 148.28 43.68 Favored 'General case' 0 C--N 1.286 -2.176 0 C-N-CA 119.542 -0.863 . . . . 0.0 111.578 -176.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pp -131.56 164.73 25.19 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.465 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.2 m -129.78 152.16 49.57 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.015 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -153.51 122.66 6.54 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 58.79 37.83 24.86 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.888 1.328 . . . . 0.0 110.005 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 -3.46 58.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.471 -1.24 . . . . 0.0 113.432 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.95 123.83 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m -99.69 122.85 43.3 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.558 0.694 . . . . 0.0 110.857 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -122.9 157.44 32.56 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.039 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.1 m -117.96 143.1 46.66 Favored 'General case' 0 C--N 1.282 -2.348 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.117 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 tp -132.36 142.44 42.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.1 m -114.99 127.73 55.85 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.477 177.347 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.421 -1.9 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.599 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.168 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -106.9 114.78 29.08 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 66.8 m -90.22 137.96 31.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-O 122.131 0.967 . . . . 0.0 112.259 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -139.61 131.17 27.12 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.329 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.9 m -104.23 128.9 52.01 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 122.024 0.916 . . . . 0.0 111.116 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.33 116.97 31.21 Favored 'General case' 0 C--N 1.274 -2.709 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.495 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 m -109.0 143.3 38.46 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.088 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -160.86 142.34 12.02 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 66.67 10.37 7.41 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.657 0.783 . . . . 0.0 111.435 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.11 -4.46 55.59 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.167 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p -119.21 141.14 40.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 117.605 0.703 . . . . 0.0 109.787 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.01 124.76 48.18 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.924 0.869 . . . . 0.0 112.226 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -98.95 105.76 17.94 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.6 m -93.35 110.65 22.19 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-O 121.484 0.659 . . . . 0.0 110.493 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mt -110.94 140.12 31.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.266 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.7 m -115.96 127.4 54.93 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.423 -1.811 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.302 0 N-CA-C 112.326 -0.309 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -106.98 121.36 44.3 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 63.1 m -90.83 138.27 31.72 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.867 0.841 . . . . 0.0 111.466 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HE ' ' HB2' ' A' ' 4' ' ' ARG . 14.7 ttm180 -146.2 130.82 17.87 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.279 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.6 m -94.61 132.74 39.0 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.453 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -121.55 144.75 48.55 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.055 -1.43 . . . . 0.0 107.595 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.6 m -125.87 155.83 40.58 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.621 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -155.72 119.92 4.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 57.78 36.29 26.33 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 122.475 1.131 . . . . 0.0 111.403 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.3 76.27 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.343 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.06 116.91 46.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.7 m -104.69 126.81 52.14 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.358 0.599 . . . . 0.0 110.178 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.76 143.21 50.87 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.857 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.9 m -108.78 112.99 25.56 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.332 0.587 . . . . 0.0 111.091 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 tt -114.1 146.29 18.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.555 -176.574 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.2 m -111.12 141.93 43.97 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.427 -1.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.735 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.23 120.85 42.62 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 124.338 1.055 . . . . 0.0 108.388 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 64.5 m -92.04 131.51 37.26 Favored 'General case' 0 CA--C 1.481 -1.695 0 C-N-CA 119.157 -1.017 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -124.51 127.26 47.18 Favored 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 113.47 -1.695 . . . . 0.0 108.786 -175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.9 m -103.11 134.65 46.17 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.494 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.77 144.0 49.96 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.646 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 8.9 m -115.6 146.63 41.61 Favored 'General case' 0 C--N 1.288 -2.078 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.689 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -160.57 143.49 13.2 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 69.73 5.63 5.31 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.195 0.998 . . . . 0.0 111.269 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.61 8.23 57.4 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 121.19 -0.528 . . . . 0.0 111.787 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.32 134.58 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-O 121.272 0.558 . . . . 0.0 109.834 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.7 m -94.16 121.78 36.01 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-O 121.963 0.887 . . . . 0.0 110.275 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -110.88 136.77 49.41 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 114.331 -1.304 . . . . 0.0 107.818 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.6 m -109.96 116.74 32.15 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.769 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.9 mt -104.66 134.74 45.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.3 m -112.43 131.08 55.74 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.346 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.302 -1.497 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.279 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.695 0 N-CA-C 113.244 0.058 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -119.29 143.24 47.45 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 2.6 t -113.96 150.68 33.42 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 117.429 -1.708 . . . . 0.0 111.333 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 23.4 mmm180 -135.23 135.11 40.69 Favored 'General case' 0 C--N 1.276 -2.625 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.061 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.7 m -112.4 139.84 47.63 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.941 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.83 150.82 26.46 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.512 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 29.6 m -110.08 146.26 35.7 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -149.6 125.57 10.59 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 123.409 0.684 . . . . 0.0 109.796 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 63.43 23.96 13.92 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 122.229 1.014 . . . . 0.0 110.309 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.0 4.04 75.54 Favored Glycine 0 C--N 1.305 -1.155 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.505 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -113.36 128.49 70.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.1 m -99.01 130.06 45.33 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.458 0.647 . . . . 0.0 111.269 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -139.51 143.61 37.52 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.953 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.0 m -104.92 117.3 33.67 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.658 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.75 123.13 58.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 121.564 0.697 . . . . 0.0 109.405 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.4 m -99.87 132.29 45.32 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.428 -1.534 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.384 -178.002 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.977 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -96.89 115.43 27.42 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.0 m -90.55 133.28 35.19 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 121.99 0.9 . . . . 0.0 111.09 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -133.66 135.21 43.96 Favored 'General case' 0 C--N 1.271 -2.811 0 CA-C-N 113.754 -1.566 . . . . 0.0 110.035 -174.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -103.17 118.82 37.64 Favored 'General case' 0 N--CA 1.416 -2.165 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.473 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.5 tp -140.48 157.07 46.06 Favored 'General case' 0 C--N 1.254 -3.585 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.93 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 8.1 m -111.53 149.67 31.06 Favored 'General case' 0 N--CA 1.42 -1.972 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.214 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -154.01 132.86 12.35 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 124.738 1.215 . . . . 0.0 108.189 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 64.29 22.6 12.85 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 122.191 0.996 . . . . 0.0 110.144 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 6.17 88.96 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.667 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 135.0 55.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.3 m -99.92 128.98 45.96 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.126 0.489 . . . . 0.0 111.037 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -134.71 155.58 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.112 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.9 m -105.29 112.65 25.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.518 0.675 . . . . 0.0 109.328 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -116.3 143.66 25.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.796 -173.392 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 58.0 m -119.17 134.43 55.21 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.876 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.426 -1.635 0 CA-C-O 121.308 0.575 . . . . 0.0 110.616 178.105 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -131.02 133.83 46.11 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.701 0.8 . . . . 0.0 109.123 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 63.5 m -90.46 133.67 34.88 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.962 0.886 . . . . 0.0 111.673 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -132.63 139.52 47.79 Favored 'General case' 0 C--N 1.276 -2.597 0 CA-C-N 113.842 -1.526 . . . . 0.0 108.844 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.3 m -103.11 143.25 32.84 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.43 -175.415 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 tp -130.39 141.58 50.54 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 m -119.12 149.29 41.95 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.773 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -161.16 133.61 6.04 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.794 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 58.98 39.27 23.77 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.52 1.153 . . . . 0.0 110.137 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.87 3.51 68.33 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 114.168 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.3 t -113.03 129.41 68.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m -106.56 120.67 42.56 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.22 0.533 . . . . 0.0 110.326 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -123.28 147.38 47.02 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.472 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.8 m -107.7 128.28 54.42 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.768 0.794 . . . . 0.0 112.282 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 tt -112.61 150.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 28.9 m -119.3 130.95 55.66 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.912 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.306 -1.291 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -178.918 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.967 0 N-CA-C 112.044 -0.423 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -102.19 128.85 48.52 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.4 m -90.5 132.51 35.64 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-O 121.701 0.762 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -141.32 133.97 28.6 Favored 'General case' 0 C--N 1.264 -3.151 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.725 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.1 m -100.24 134.43 43.18 Favored 'General case' 0 C--N 1.291 -1.957 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.074 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -127.25 149.19 50.12 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.828 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 23.3 m -119.43 149.12 42.39 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.979 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -149.21 124.26 10.05 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.741 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 57.08 31.72 20.44 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.177 0.991 . . . . 0.0 109.92 -177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.0 -8.39 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.369 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.03 121.12 43.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.9 m -99.77 124.54 45.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.656 0.741 . . . . 0.0 111.456 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -116.84 139.13 50.97 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.73 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.3 m -108.89 123.65 49.41 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.842 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -133.41 153.93 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.7 m -113.08 133.1 55.16 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.776 -0.77 . . . . 0.0 108.943 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 m . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.719 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 N-CA-C 111.967 -0.453 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -128.33 133.57 48.72 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 57.8 m -94.77 139.44 31.27 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.755 0.788 . . . . 0.0 113.072 -174.888 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -144.08 161.69 38.16 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.243 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.7 m -115.15 133.96 55.58 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.785 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.22 142.19 50.58 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.363 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.3 m -109.99 143.6 39.73 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.585 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -151.62 131.5 13.31 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -177.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 63.6 26.88 14.8 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.047 0.927 . . . . 0.0 110.298 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.84 4.47 89.49 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.447 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -112.87 132.46 61.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.9 m -98.11 129.98 44.9 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.362 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -126.85 142.12 51.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.1 m -104.64 107.25 18.1 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 122.113 0.959 . . . . 0.0 109.925 178.02 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.42 140.85 23.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.387 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 31.9 m -108.92 128.72 55.17 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.339 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.289 -2.039 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.225 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.987 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -110.94 127.88 55.63 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.4 m -91.87 144.53 25.39 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -176.043 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -159.97 165.48 31.92 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.915 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 28.8 m -108.49 134.76 50.83 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.602 176.669 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.11 145.58 51.7 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.204 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 22.8 m -113.24 153.06 28.98 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.258 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.5 134.7 11.3 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 124.588 1.155 . . . . 0.0 108.311 176.777 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 62.61 20.07 11.74 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.056 0.942 . . . . 0.0 111.476 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.58 6.4 80.51 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.8 t -111.13 128.54 67.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.8 m -104.19 130.93 51.95 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.125 0.488 . . . . 0.0 111.104 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -130.11 150.78 51.22 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.319 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.9 m -104.39 111.41 24.04 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.8 tp -133.52 156.37 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.547 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.955 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 30.1 m -106.83 147.61 29.52 Favored 'General case' 0 C--N 1.286 -2.162 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.643 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.486 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.281 0 N-CA-C 112.196 -0.361 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -110.75 142.19 43.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 33.0 m -94.64 131.82 40.02 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 122.393 1.092 . . . . 0.0 113.608 -174.732 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -135.96 136.39 40.36 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 113.164 -1.835 . . . . 0.0 106.601 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 26.2 m -92.85 141.24 28.65 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 118.567 -1.253 . . . . 0.0 112.193 -175.406 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.12 167.66 21.57 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 9.3 m -124.68 155.68 38.83 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.726 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -149.65 123.47 9.29 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 66.69 21.73 10.54 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 122.914 1.34 . . . . 0.0 108.785 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.24 -5.53 76.47 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.728 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.81 126.71 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.6 m -90.76 132.74 35.66 Favored 'General case' 0 C--N 1.277 -2.572 0 CA-C-O 121.547 0.689 . . . . 0.0 111.948 -175.596 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -129.3 159.95 34.54 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.063 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 m -108.37 115.8 30.79 Favored 'General case' 0 N--CA 1.408 -2.544 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.34 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -104.35 153.43 6.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -173.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 29.7 m -119.43 123.92 45.27 Favored 'General case' 0 C--N 1.284 -2.257 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.092 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.413 -2.318 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.805 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.364 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -120.21 133.46 55.48 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.4 m -102.65 143.23 32.59 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -146.09 141.06 27.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.569 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 26.6 m -98.74 134.85 41.06 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.584 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.09 153.66 51.25 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.855 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 9.5 m -120.59 148.71 43.53 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.219 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -135.05 119.2 17.62 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 62.85 17.64 10.11 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.008 0.923 . . . . 0.0 111.231 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 -7.31 59.63 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.002 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.9 t -93.41 117.16 36.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.6 m -92.96 132.29 37.2 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.326 0.584 . . . . 0.0 111.654 -177.239 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -134.81 132.69 38.96 Favored 'General case' 0 N--CA 1.418 -2.046 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.568 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.9 m -89.8 112.87 24.31 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.551 175.175 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.07 146.78 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.416 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.6 m -110.95 144.45 40.01 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.678 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.085 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.145 0 N-CA-C 112.855 -0.098 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -131.66 136.17 47.48 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 37.6 m -95.58 141.45 29.08 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.24 -177.198 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -131.26 163.83 26.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.3 m -122.65 147.58 46.28 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.0 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -149.85 162.19 40.79 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.628 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 13.9 m -123.09 142.81 50.47 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -158.46 144.61 17.07 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 64.31 19.32 11.74 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-O 122.353 1.073 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.81 8.82 85.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.144 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.7 141.17 46.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 117.631 0.716 . . . . 0.0 109.323 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -94.66 131.3 40.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.902 178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -139.79 164.59 29.55 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.415 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.1 m -123.42 131.35 53.62 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 120.249 -0.581 . . . . 0.0 110.739 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -121.04 141.85 39.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.5 m -105.04 136.8 43.85 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.921 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.439 -1.019 0 CA-C-O 121.362 0.601 . . . . 0.0 109.871 179.28 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.802 0 N-CA-C 112.663 -0.175 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -132.61 132.27 42.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 85.9 m -90.44 133.44 35.03 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 122.017 0.913 . . . . 0.0 111.006 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -135.91 126.49 27.05 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.017 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.4 m -95.74 138.01 33.99 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.314 175.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -129.39 135.8 49.16 Favored 'General case' 0 C--N 1.274 -2.675 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.99 139.23 52.8 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -149.45 137.81 20.75 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 59.72 29.33 18.89 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.521 1.128 . . . . 0.0 111.691 173.535 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.14 11.43 67.25 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 113.953 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.51 129.64 59.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.411 1.106 . . . . 0.0 111.284 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.3 m -94.8 127.37 40.75 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 121.474 0.654 . . . . 0.0 110.809 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -122.78 143.89 49.54 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.5 m -115.14 123.78 49.8 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.683 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.3 tp -127.21 154.19 37.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 47.4 m -118.87 128.36 54.37 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.305 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.417 -2.081 0 CA-C-O 121.324 0.583 . . . . 0.0 110.293 -179.611 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.428 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -122.18 151.29 41.15 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 10.3 t -131.91 163.03 29.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 117.532 -1.667 . . . . 0.0 111.408 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -147.14 126.01 12.73 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.389 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.9 m -105.78 140.46 38.79 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.724 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -143.1 159.17 42.77 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.081 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -130.3 155.28 46.59 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -151.99 119.22 5.92 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 59.61 27.07 16.21 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.714 1.205 . . . . 0.0 112.335 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.86 -7.37 55.17 Favored Glycine 0 C--N 1.311 -0.838 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.813 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.68 116.85 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.6 m -100.05 128.44 46.13 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -132.33 141.72 49.05 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.928 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.2 m -109.11 126.63 53.4 Favored 'General case' 0 C--N 1.291 -1.974 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.546 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.0 mm -104.96 106.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 48.6 m -108.74 130.7 55.37 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.317 -0.821 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.531 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.521 0 CA-C-O 120.309 -0.162 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.56 161.17 21.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 48.4 m -111.93 137.45 49.9 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.676 -174.804 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -140.09 140.57 36.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.451 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.2 m -95.21 147.72 23.16 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.497 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 tp -149.99 153.16 36.08 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 6.5 m -102.59 147.65 26.53 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 118.551 -1.26 . . . . 0.0 111.536 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -135.39 120.22 18.47 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 59.85 26.64 15.86 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 122.251 1.024 . . . . 0.0 111.609 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.85 4.77 74.98 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.216 -0.993 . . . . 0.0 113.545 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -120.68 130.89 74.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.1 m -90.81 124.83 35.45 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.932 0.872 . . . . 0.0 111.889 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -126.18 164.49 20.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.143 -1.39 . . . . 0.0 108.633 -174.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -117.0 123.36 46.7 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 118.966 -1.094 . . . . 0.0 112.17 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 tp -110.17 152.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 43.2 m -115.87 133.8 55.65 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.441 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.436 -1.172 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -177.544 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.477 0 N-CA-C 112.739 -0.144 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -104.13 129.61 51.84 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.0 m -93.63 141.17 28.78 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 121.489 0.661 . . . . 0.0 111.675 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -145.96 132.57 19.85 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.9 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.8 m -103.58 136.51 43.17 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.824 175.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.13 149.55 41.69 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.674 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 m -122.61 142.84 50.21 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -141.52 126.01 17.75 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 60.08 30.96 20.37 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 122.397 1.094 . . . . 0.0 110.304 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 12.17 83.84 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.614 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.62 125.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.4 m -101.34 129.82 47.41 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.965 0.888 . . . . 0.0 112.592 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -121.08 117.86 28.27 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.452 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.3 m -98.69 108.79 21.56 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.093 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -122.09 155.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -174.587 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 42.3 m -123.12 139.04 54.48 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.0 m -145.67 134.8 22.77 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 . . . . . 0 N--CA 1.493 1.711 0 C-N-CA 125.121 1.369 . . . . 0.0 111.165 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 N-CA-C 112.707 -0.157 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -98.53 121.74 40.85 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.8 m -92.09 131.18 37.55 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.967 0.889 . . . . 0.0 110.11 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -136.35 137.53 40.69 Favored 'General case' 0 C--N 1.265 -3.07 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.569 -172.537 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 31.1 m -104.07 135.94 44.63 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.08 152.54 48.57 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.611 -1.177 . . . . 0.0 107.977 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.0 m -124.02 153.98 40.54 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.379 -0.929 . . . . 0.0 111.134 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -158.43 134.34 9.07 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? 66.46 18.65 10.86 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.011 0.91 . . . . 0.0 109.907 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 2.26 89.69 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.185 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -106.03 133.6 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.29 128.46 54.76 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.322 0.582 . . . . 0.0 111.644 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -124.49 147.0 48.64 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.26 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.6 m -106.51 125.56 51.15 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.532 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -119.0 145.27 25.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 51.0 m -116.88 136.55 52.86 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.693 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -144.83 134.88 23.92 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 . . . . . 0 N--CA 1.479 0.992 0 C-N-CA 124.733 1.213 . . . . 0.0 110.475 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 4' ' ' ARG . 9.7 t70 -112.95 128.52 56.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -176.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.3 m -90.11 130.04 36.32 Favored 'General case' 0 N--CA 1.416 -2.143 0 C-N-CA 117.834 -1.546 . . . . 0.0 108.267 173.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.418 HH21 ' CG ' ' A' ' 2' ' ' ASP . 9.8 ttm180 -141.67 144.34 34.07 Favored 'General case' 0 C--N 1.261 -3.273 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.291 -170.232 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.2 m -104.19 136.08 44.46 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 118.873 -1.131 . . . . 0.0 111.423 -176.151 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.84 122.13 46.1 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.467 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 24.4 m -107.16 140.34 40.18 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.204 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -160.91 139.77 10.18 Favored 'General case' 0 C--N 1.284 -2.276 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.019 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 63.45 21.68 12.88 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.96 0.886 . . . . 0.0 111.128 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 6.31 74.08 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.934 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.37 139.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.1 m -106.9 122.75 47.04 Favored 'General case' 0 CA--C 1.49 -1.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.713 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -118.22 132.16 56.33 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.962 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.0 m -97.59 125.72 42.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.246 0.546 . . . . 0.0 111.92 -177.433 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -128.54 155.59 40.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.1 m -114.45 133.72 55.54 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.343 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -151.27 145.33 25.28 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 . . . . . 0 N--CA 1.503 2.207 0 CA-C-O 122.582 1.182 . . . . 0.0 111.168 177.014 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.229 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -112.38 120.28 41.15 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 75.4 m -90.26 130.85 36.33 Favored 'General case' 0 CA--C 1.471 -2.061 0 CA-C-O 122.106 0.955 . . . . 0.0 110.265 177.313 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.56 126.1 23.6 Favored 'General case' 0 C--N 1.257 -3.415 0 CA-C-N 113.833 -1.53 . . . . 0.0 110.408 -173.421 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.7 m -100.44 143.72 30.29 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.502 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -138.92 161.11 38.13 Favored 'General case' 0 C--N 1.285 -2.231 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.254 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 m -135.26 153.34 51.94 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.577 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -159.99 129.26 5.14 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 66.83 18.74 10.68 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.111 0.957 . . . . 0.0 110.383 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.75 -1.01 85.15 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.846 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.93 126.74 52.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -107.23 127.19 53.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.718 0.77 . . . . 0.0 111.101 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -121.91 132.45 54.56 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.696 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.5 m -105.4 119.6 39.49 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.91 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.46 137.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.1 m -113.7 123.74 50.62 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 m -145.5 140.75 27.73 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 125.214 1.405 . . . . 0.0 110.713 179.229 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.355 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -93.67 122.22 35.91 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.9 m -97.41 130.59 44.52 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.884 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -140.49 157.81 44.95 Favored 'General case' 0 C--N 1.266 -3.058 0 CA-C-N 113.544 -1.662 . . . . 0.0 109.127 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 42.6 m -119.87 148.28 43.68 Favored 'General case' 0 C--N 1.286 -2.176 0 C-N-CA 119.542 -0.863 . . . . 0.0 111.578 -176.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pp -131.56 164.73 25.19 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.465 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.2 m -129.78 152.16 49.57 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.015 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -153.51 122.66 6.54 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 58.79 37.83 24.86 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.888 1.328 . . . . 0.0 110.005 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 -3.46 58.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.471 -1.24 . . . . 0.0 113.432 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.95 123.83 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m -99.69 122.85 43.3 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.558 0.694 . . . . 0.0 110.857 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -122.9 157.44 32.56 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.039 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.1 m -117.96 143.1 46.66 Favored 'General case' 0 C--N 1.282 -2.348 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.117 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 tp -132.36 142.44 42.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.1 m -114.99 127.73 55.85 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.477 177.347 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -133.96 132.11 39.78 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 122.905 1.336 . . . . 0.0 109.375 -178.531 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.168 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -106.9 114.78 29.08 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 66.8 m -90.22 137.96 31.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-O 122.131 0.967 . . . . 0.0 112.259 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -139.61 131.17 27.12 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.329 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.9 m -104.23 128.9 52.01 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 122.024 0.916 . . . . 0.0 111.116 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.33 116.97 31.21 Favored 'General case' 0 C--N 1.274 -2.709 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.495 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 m -109.0 143.3 38.46 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.088 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -160.86 142.34 12.02 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 66.67 10.37 7.41 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.657 0.783 . . . . 0.0 111.435 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.11 -4.46 55.59 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.167 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p -119.21 141.14 40.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 117.605 0.703 . . . . 0.0 109.787 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.01 124.76 48.18 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.924 0.869 . . . . 0.0 112.226 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -98.95 105.76 17.94 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.6 m -93.35 110.65 22.19 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-O 121.484 0.659 . . . . 0.0 110.493 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mt -110.94 140.12 31.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.266 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.7 m -115.96 127.4 54.93 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m -128.89 124.11 34.38 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 . . . . . 0 C--N 1.306 -1.295 0 C-N-CA 125.159 1.384 . . . . 0.0 111.84 178.502 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.302 0 N-CA-C 112.326 -0.309 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -106.98 121.36 44.3 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 63.1 m -90.83 138.27 31.72 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.867 0.841 . . . . 0.0 111.466 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HE ' ' HB2' ' A' ' 4' ' ' ARG . 14.7 ttm180 -146.2 130.82 17.87 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.279 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.6 m -94.61 132.74 39.0 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.453 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -121.55 144.75 48.55 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.055 -1.43 . . . . 0.0 107.595 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.6 m -125.87 155.83 40.58 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.621 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -155.72 119.92 4.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 57.78 36.29 26.33 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 122.475 1.131 . . . . 0.0 111.403 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.3 76.27 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.343 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.06 116.91 46.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.7 m -104.69 126.81 52.14 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.358 0.599 . . . . 0.0 110.178 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.76 143.21 50.87 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.857 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.9 m -108.78 112.99 25.56 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.332 0.587 . . . . 0.0 111.091 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 tt -114.1 146.29 18.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.555 -176.574 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.2 m -111.12 141.93 43.97 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -142.99 126.2 16.49 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 125.848 1.659 . . . . 0.0 111.706 178.346 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.23 120.85 42.62 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 124.338 1.055 . . . . 0.0 108.388 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 64.5 m -92.04 131.51 37.26 Favored 'General case' 0 CA--C 1.481 -1.695 0 C-N-CA 119.157 -1.017 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -124.51 127.26 47.18 Favored 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 113.47 -1.695 . . . . 0.0 108.786 -175.609 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.9 m -103.11 134.65 46.17 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.494 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.77 144.0 49.96 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.646 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 8.9 m -115.6 146.63 41.61 Favored 'General case' 0 C--N 1.288 -2.078 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.689 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -160.57 143.49 13.2 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 69.73 5.63 5.31 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.195 0.998 . . . . 0.0 111.269 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.61 8.23 57.4 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 121.19 -0.528 . . . . 0.0 111.787 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.32 134.58 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-O 121.272 0.558 . . . . 0.0 109.834 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.7 m -94.16 121.78 36.01 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-O 121.963 0.887 . . . . 0.0 110.275 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -110.88 136.77 49.41 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 114.331 -1.304 . . . . 0.0 107.818 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.6 m -109.96 116.74 32.15 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.769 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.9 mt -104.66 134.74 45.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.3 m -112.43 131.08 55.74 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.346 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.0 m -148.34 141.8 25.33 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 . . . . . 0 N--CA 1.492 1.647 0 C-N-CA 124.451 1.1 . . . . 0.0 110.022 -179.218 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.695 0 N-CA-C 113.244 0.058 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -119.29 143.24 47.45 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 2.6 t -113.96 150.68 33.42 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 117.429 -1.708 . . . . 0.0 111.333 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 23.4 mmm180 -135.23 135.11 40.69 Favored 'General case' 0 C--N 1.276 -2.625 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.061 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.7 m -112.4 139.84 47.63 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.941 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.83 150.82 26.46 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.512 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 29.6 m -110.08 146.26 35.7 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -149.6 125.57 10.59 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 123.409 0.684 . . . . 0.0 109.796 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 63.43 23.96 13.92 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 122.229 1.014 . . . . 0.0 110.309 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.0 4.04 75.54 Favored Glycine 0 C--N 1.305 -1.155 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.505 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -113.36 128.49 70.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.1 m -99.01 130.06 45.33 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.458 0.647 . . . . 0.0 111.269 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -139.51 143.61 37.52 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.953 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.0 m -104.92 117.3 33.67 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.658 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.75 123.13 58.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 121.564 0.697 . . . . 0.0 109.405 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.4 m -99.87 132.29 45.32 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -143.52 131.2 21.31 Favored 'General case' 0 N--CA 1.428 -1.534 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.384 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 . . . . . 0 C--N 1.304 -1.41 0 C-N-CA 125.91 1.684 . . . . 0.0 112.556 174.825 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.977 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -96.89 115.43 27.42 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.0 m -90.55 133.28 35.19 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 121.99 0.9 . . . . 0.0 111.09 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -133.66 135.21 43.96 Favored 'General case' 0 C--N 1.271 -2.811 0 CA-C-N 113.754 -1.566 . . . . 0.0 110.035 -174.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -103.17 118.82 37.64 Favored 'General case' 0 N--CA 1.416 -2.165 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.5 tp -140.48 157.07 46.06 Favored 'General case' 0 C--N 1.254 -3.585 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.93 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 8.1 m -111.53 149.67 31.06 Favored 'General case' 0 N--CA 1.42 -1.972 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.214 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -154.01 132.86 12.35 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 124.738 1.215 . . . . 0.0 108.189 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 64.29 22.6 12.85 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 122.191 0.996 . . . . 0.0 110.144 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 6.17 88.96 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.667 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 135.0 55.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.3 m -99.92 128.98 45.96 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.126 0.489 . . . . 0.0 111.037 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -134.71 155.58 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.112 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.9 m -105.29 112.65 25.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.518 0.675 . . . . 0.0 109.328 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -116.3 143.66 25.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.796 -173.392 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 58.0 m -119.17 134.43 55.21 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.876 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t -142.8 132.11 23.42 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 121.308 0.575 . . . . 0.0 110.616 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 . . . . . 0 N--CA 1.499 2.002 0 C-N-CA 125.189 1.396 . . . . 0.0 111.149 -179.071 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -131.02 133.83 46.11 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.701 0.8 . . . . 0.0 109.123 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 63.5 m -90.46 133.67 34.88 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.962 0.886 . . . . 0.0 111.673 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -132.63 139.52 47.79 Favored 'General case' 0 C--N 1.276 -2.597 0 CA-C-N 113.842 -1.526 . . . . 0.0 108.844 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.3 m -103.11 143.25 32.84 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.43 -175.415 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 tp -130.39 141.58 50.54 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 m -119.12 149.29 41.95 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.773 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -161.16 133.61 6.04 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.794 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 58.98 39.27 23.77 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.52 1.153 . . . . 0.0 110.137 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.87 3.51 68.33 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 114.168 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.3 t -113.03 129.41 68.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m -106.56 120.67 42.56 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.22 0.533 . . . . 0.0 110.326 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -123.28 147.38 47.02 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.472 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.8 m -107.7 128.28 54.42 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.768 0.794 . . . . 0.0 112.282 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 tt -112.61 150.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 28.9 m -119.3 130.95 55.66 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.912 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m -149.6 149.62 30.95 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 . . . . . 0 N--CA 1.506 2.336 0 CA-C-O 123.13 1.443 . . . . 0.0 109.59 -178.922 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.967 0 N-CA-C 112.044 -0.423 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -102.19 128.85 48.52 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.4 m -90.5 132.51 35.64 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-O 121.701 0.762 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -141.32 133.97 28.6 Favored 'General case' 0 C--N 1.264 -3.151 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.725 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.1 m -100.24 134.43 43.18 Favored 'General case' 0 C--N 1.291 -1.957 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.074 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -127.25 149.19 50.12 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.828 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 23.3 m -119.43 149.12 42.39 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.979 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -149.21 124.26 10.05 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.741 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 57.08 31.72 20.44 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.177 0.991 . . . . 0.0 109.92 -177.561 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.0 -8.39 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.369 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.03 121.12 43.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.9 m -99.77 124.54 45.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.656 0.741 . . . . 0.0 111.456 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -116.84 139.13 50.97 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.73 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.3 m -108.89 123.65 49.41 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.842 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -133.41 153.93 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.7 m -113.08 133.1 55.16 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.776 -0.77 . . . . 0.0 108.943 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 m -139.58 133.59 30.96 Favored 'General case' 0 N--CA 1.426 -1.642 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 18' ' ' ARG . 39.6 ttp180 . . . . . 0 N--CA 1.489 1.505 0 C-N-CA 125.792 1.637 . . . . 0.0 111.085 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 N-CA-C 111.967 -0.453 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -128.33 133.57 48.72 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 57.8 m -94.77 139.44 31.27 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.755 0.788 . . . . 0.0 113.072 -174.888 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -144.08 161.69 38.16 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.243 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.7 m -115.15 133.96 55.58 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.785 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.22 142.19 50.58 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.363 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.3 m -109.99 143.6 39.73 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.585 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -151.62 131.5 13.31 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -177.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 63.6 26.88 14.8 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.047 0.927 . . . . 0.0 110.298 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.84 4.47 89.49 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.447 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -112.87 132.46 61.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.9 m -98.11 129.98 44.9 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.362 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -126.85 142.12 51.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.1 m -104.64 107.25 18.1 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 122.113 0.959 . . . . 0.0 109.925 178.02 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.42 140.85 23.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.387 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 31.9 m -108.92 128.72 55.17 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.339 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -140.78 144.96 35.75 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 122.735 1.255 . . . . 0.0 109.744 -178.605 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.987 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -110.94 127.88 55.63 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.4 m -91.87 144.53 25.39 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -176.043 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -159.97 165.48 31.92 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.915 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 28.8 m -108.49 134.76 50.83 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.602 176.669 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.11 145.58 51.7 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.204 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 22.8 m -113.24 153.06 28.98 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.258 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.5 134.7 11.3 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 124.588 1.155 . . . . 0.0 108.311 176.777 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 62.61 20.07 11.74 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.056 0.942 . . . . 0.0 111.476 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.58 6.4 80.51 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.8 t -111.13 128.54 67.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.8 m -104.19 130.93 51.95 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.125 0.488 . . . . 0.0 111.104 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -130.11 150.78 51.22 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.319 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.9 m -104.39 111.41 24.04 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.8 tp -133.52 156.37 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.547 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.955 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 30.1 m -106.83 147.61 29.52 Favored 'General case' 0 C--N 1.286 -2.162 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.643 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -139.99 131.36 26.81 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 . . . . . 0 N--CA 1.489 1.506 0 C-N-CA 125.429 1.492 . . . . 0.0 112.052 176.09 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.281 0 N-CA-C 112.196 -0.361 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -110.75 142.19 43.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 33.0 m -94.64 131.82 40.02 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 122.393 1.092 . . . . 0.0 113.608 -174.732 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -135.96 136.39 40.36 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 113.164 -1.835 . . . . 0.0 106.601 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 26.2 m -92.85 141.24 28.65 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 118.567 -1.253 . . . . 0.0 112.193 -175.406 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.12 167.66 21.57 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 9.3 m -124.68 155.68 38.83 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.726 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -149.65 123.47 9.29 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 66.69 21.73 10.54 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 122.914 1.34 . . . . 0.0 108.785 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.24 -5.53 76.47 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.728 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.81 126.71 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.6 m -90.76 132.74 35.66 Favored 'General case' 0 C--N 1.277 -2.572 0 CA-C-O 121.547 0.689 . . . . 0.0 111.948 -175.596 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -129.3 159.95 34.54 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.063 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 m -108.37 115.8 30.79 Favored 'General case' 0 N--CA 1.408 -2.544 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.34 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -104.35 153.43 6.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -173.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 29.7 m -119.43 123.92 45.27 Favored 'General case' 0 C--N 1.284 -2.257 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.092 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 t -128.86 135.71 49.46 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 125.216 1.406 . . . . 0.0 109.528 -176.478 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.364 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -120.21 133.46 55.48 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.4 m -102.65 143.23 32.59 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -146.09 141.06 27.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.569 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 26.6 m -98.74 134.85 41.06 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.584 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.09 153.66 51.25 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.855 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 9.5 m -120.59 148.71 43.53 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.219 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -135.05 119.2 17.62 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 62.85 17.64 10.11 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.008 0.923 . . . . 0.0 111.231 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 -7.31 59.63 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.002 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.9 t -93.41 117.16 36.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.6 m -92.96 132.29 37.2 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.326 0.584 . . . . 0.0 111.654 -177.239 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -134.81 132.69 38.96 Favored 'General case' 0 N--CA 1.418 -2.046 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.568 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.9 m -89.8 112.87 24.31 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.551 175.175 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.07 146.78 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.416 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.6 m -110.95 144.45 40.01 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.678 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m -145.7 130.14 17.79 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? . . . . . 0 N--CA 1.486 1.37 0 C-N-CA 125.281 1.432 . . . . 0.0 111.354 -179.292 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.145 0 N-CA-C 112.855 -0.098 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -131.66 136.17 47.48 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 37.6 m -95.58 141.45 29.08 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.24 -177.198 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -131.26 163.83 26.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.3 m -122.65 147.58 46.28 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.0 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -149.85 162.19 40.79 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.628 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 13.9 m -123.09 142.81 50.47 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.368 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -158.46 144.61 17.07 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 64.31 19.32 11.74 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-O 122.353 1.073 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.81 8.82 85.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.144 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.7 141.17 46.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 117.631 0.716 . . . . 0.0 109.323 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -94.66 131.3 40.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.902 178.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -139.79 164.59 29.55 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.415 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.1 m -123.42 131.35 53.62 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 120.249 -0.581 . . . . 0.0 110.739 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -121.04 141.85 39.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.5 m -105.04 136.8 43.85 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.921 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -150.48 137.7 19.46 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.362 0.601 . . . . 0.0 109.871 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 126.304 1.842 . . . . 0.0 112.529 175.546 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.802 0 N-CA-C 112.663 -0.175 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -132.61 132.27 42.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 85.9 m -90.44 133.44 35.03 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 122.017 0.913 . . . . 0.0 111.006 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -135.91 126.49 27.05 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.017 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.4 m -95.74 138.01 33.99 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.314 175.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -129.39 135.8 49.16 Favored 'General case' 0 C--N 1.274 -2.675 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.99 139.23 52.8 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -149.45 137.81 20.75 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 59.72 29.33 18.89 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.521 1.128 . . . . 0.0 111.691 173.535 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.14 11.43 67.25 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 113.953 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.51 129.64 59.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.411 1.106 . . . . 0.0 111.284 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.3 m -94.8 127.37 40.75 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 121.474 0.654 . . . . 0.0 110.809 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -122.78 143.89 49.54 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.5 m -115.14 123.78 49.8 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.683 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.3 tp -127.21 154.19 37.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 47.4 m -118.87 128.36 54.37 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.305 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 t -142.78 139.42 30.99 Favored 'General case' 0 N--CA 1.417 -2.081 0 CA-C-O 121.324 0.583 . . . . 0.0 110.293 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 C--N 1.321 -0.65 0 CA-C-O 123.509 1.623 . . . . 0.0 111.573 176.33 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.428 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -122.18 151.29 41.15 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 10.3 t -131.91 163.03 29.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 117.532 -1.667 . . . . 0.0 111.408 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -147.14 126.01 12.73 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.389 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.9 m -105.78 140.46 38.79 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.724 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -143.1 159.17 42.77 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.081 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -130.3 155.28 46.59 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -151.99 119.22 5.92 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 59.61 27.07 16.21 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.714 1.205 . . . . 0.0 112.335 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.86 -7.37 55.17 Favored Glycine 0 C--N 1.311 -0.838 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.813 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.68 116.85 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.6 m -100.05 128.44 46.13 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -132.33 141.72 49.05 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.928 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.2 m -109.11 126.63 53.4 Favored 'General case' 0 C--N 1.291 -1.974 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.546 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.0 mm -104.96 106.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 48.6 m -108.74 130.7 55.37 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -156.57 146.39 20.95 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 . . . . . 0 N--CA 1.5 2.068 0 CA-C-O 123.132 1.444 . . . . 0.0 111.287 176.245 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.521 0 CA-C-O 120.309 -0.162 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.56 161.17 21.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 48.4 m -111.93 137.45 49.9 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.676 -174.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -140.09 140.57 36.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.451 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.2 m -95.21 147.72 23.16 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.497 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 tp -149.99 153.16 36.08 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 6.5 m -102.59 147.65 26.53 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 118.551 -1.26 . . . . 0.0 111.536 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -135.39 120.22 18.47 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 59.85 26.64 15.86 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 122.251 1.024 . . . . 0.0 111.609 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.85 4.77 74.98 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.216 -0.993 . . . . 0.0 113.545 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -120.68 130.89 74.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.1 m -90.81 124.83 35.45 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.932 0.872 . . . . 0.0 111.889 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -126.18 164.49 20.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.143 -1.39 . . . . 0.0 108.633 -174.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -117.0 123.36 46.7 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 118.966 -1.094 . . . . 0.0 112.17 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 tp -110.17 152.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 43.2 m -115.87 133.8 55.65 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.441 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -142.94 139.85 30.88 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 125.071 1.348 . . . . 0.0 110.581 179.534 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.477 0 N-CA-C 112.739 -0.144 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -104.13 129.61 51.84 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.0 m -93.63 141.17 28.78 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 121.489 0.661 . . . . 0.0 111.675 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -145.96 132.57 19.85 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.9 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.8 m -103.58 136.51 43.17 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.824 175.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.13 149.55 41.69 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.674 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 m -122.61 142.84 50.21 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -141.52 126.01 17.75 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 60.08 30.96 20.37 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 122.397 1.094 . . . . 0.0 110.304 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 12.17 83.84 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.614 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.62 125.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.4 m -101.34 129.82 47.41 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.965 0.888 . . . . 0.0 112.592 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -121.08 117.86 28.27 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.452 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.3 m -98.69 108.79 21.56 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -122.09 155.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 42.3 m -123.12 139.04 54.48 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.0 m . . . . . 0 N--CA 1.429 -1.497 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.157 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 N-CA-C 112.707 -0.157 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -98.53 121.74 40.85 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.8 m -92.09 131.18 37.55 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.967 0.889 . . . . 0.0 110.11 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -136.35 137.53 40.69 Favored 'General case' 0 C--N 1.265 -3.07 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.569 -172.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 31.1 m -104.07 135.94 44.63 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.08 152.54 48.57 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.611 -1.177 . . . . 0.0 107.977 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.0 m -124.02 153.98 40.54 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.379 -0.929 . . . . 0.0 111.134 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -158.43 134.34 9.07 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? 66.46 18.65 10.86 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.011 0.91 . . . . 0.0 109.907 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 2.26 89.69 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.185 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -106.03 133.6 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.29 128.46 54.76 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.322 0.582 . . . . 0.0 111.644 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -124.49 147.0 48.64 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.26 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.6 m -106.51 125.56 51.15 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.532 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -119.0 145.27 25.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 51.0 m -116.88 136.55 52.86 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.693 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m . . . . . 0 C--N 1.305 -1.333 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.531 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 4' ' ' ARG . 9.7 t70 -112.95 128.52 56.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -176.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.3 m -90.11 130.04 36.32 Favored 'General case' 0 N--CA 1.416 -2.143 0 C-N-CA 117.834 -1.546 . . . . 0.0 108.267 173.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.418 HH21 ' CG ' ' A' ' 2' ' ' ASP . 9.8 ttm180 -141.67 144.34 34.07 Favored 'General case' 0 C--N 1.261 -3.273 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.291 -170.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.2 m -104.19 136.08 44.46 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 118.873 -1.131 . . . . 0.0 111.423 -176.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.84 122.13 46.1 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.467 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 24.4 m -107.16 140.34 40.18 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.204 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -160.91 139.77 10.18 Favored 'General case' 0 C--N 1.284 -2.276 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.019 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 63.45 21.68 12.88 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.96 0.886 . . . . 0.0 111.128 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 6.31 74.08 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.934 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.37 139.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.1 m -106.9 122.75 47.04 Favored 'General case' 0 CA--C 1.49 -1.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.713 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -118.22 132.16 56.33 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.962 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.0 m -97.59 125.72 42.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.246 0.546 . . . . 0.0 111.92 -177.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -128.54 155.59 40.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.1 m -114.45 133.72 55.54 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.343 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m . . . . . 0 C--N 1.312 -1.045 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.078 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.229 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -112.38 120.28 41.15 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 75.4 m -90.26 130.85 36.33 Favored 'General case' 0 CA--C 1.471 -2.061 0 CA-C-O 122.106 0.955 . . . . 0.0 110.265 177.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.56 126.1 23.6 Favored 'General case' 0 C--N 1.257 -3.415 0 CA-C-N 113.833 -1.53 . . . . 0.0 110.408 -173.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.7 m -100.44 143.72 30.29 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.502 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -138.92 161.11 38.13 Favored 'General case' 0 C--N 1.285 -2.231 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.254 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 m -135.26 153.34 51.94 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.577 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -159.99 129.26 5.14 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 66.83 18.74 10.68 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.111 0.957 . . . . 0.0 110.383 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.75 -1.01 85.15 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.846 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.93 126.74 52.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -107.23 127.19 53.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.718 0.77 . . . . 0.0 111.101 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -121.91 132.45 54.56 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.696 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.5 m -105.4 119.6 39.49 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.91 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.46 137.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.1 m -113.7 123.74 50.62 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 m . . . . . 0 C--N 1.295 -1.798 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.857 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.355 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -93.67 122.22 35.91 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.9 m -97.41 130.59 44.52 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.884 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -140.49 157.81 44.95 Favored 'General case' 0 C--N 1.266 -3.058 0 CA-C-N 113.544 -1.662 . . . . 0.0 109.127 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 42.6 m -119.87 148.28 43.68 Favored 'General case' 0 C--N 1.286 -2.176 0 C-N-CA 119.542 -0.863 . . . . 0.0 111.578 -176.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pp -131.56 164.73 25.19 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.465 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.2 m -129.78 152.16 49.57 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.015 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -153.51 122.66 6.54 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 58.79 37.83 24.86 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.888 1.328 . . . . 0.0 110.005 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 -3.46 58.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.471 -1.24 . . . . 0.0 113.432 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.95 123.83 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m -99.69 122.85 43.3 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.558 0.694 . . . . 0.0 110.857 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -122.9 157.44 32.56 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.039 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.1 m -117.96 143.1 46.66 Favored 'General case' 0 C--N 1.282 -2.348 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.117 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 tp -132.36 142.44 42.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.1 m -114.99 127.73 55.85 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.477 177.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.421 -1.9 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.599 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.168 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -106.9 114.78 29.08 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 66.8 m -90.22 137.96 31.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-O 122.131 0.967 . . . . 0.0 112.259 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -139.61 131.17 27.12 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.329 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.9 m -104.23 128.9 52.01 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 122.024 0.916 . . . . 0.0 111.116 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.33 116.97 31.21 Favored 'General case' 0 C--N 1.274 -2.709 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.495 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 m -109.0 143.3 38.46 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.088 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -160.86 142.34 12.02 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 66.67 10.37 7.41 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.657 0.783 . . . . 0.0 111.435 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.11 -4.46 55.59 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.167 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p -119.21 141.14 40.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 117.605 0.703 . . . . 0.0 109.787 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.01 124.76 48.18 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.924 0.869 . . . . 0.0 112.226 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -98.95 105.76 17.94 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.6 m -93.35 110.65 22.19 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-O 121.484 0.659 . . . . 0.0 110.493 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mt -110.94 140.12 31.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.266 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.7 m -115.96 127.4 54.93 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.423 -1.811 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.962 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.302 0 N-CA-C 112.326 -0.309 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -106.98 121.36 44.3 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 63.1 m -90.83 138.27 31.72 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.867 0.841 . . . . 0.0 111.466 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HB2' ' HE ' ' A' ' 4' ' ' ARG . 14.7 ttm180 -146.2 130.82 17.87 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.279 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.6 m -94.61 132.74 39.0 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.453 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -121.55 144.75 48.55 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.055 -1.43 . . . . 0.0 107.595 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.6 m -125.87 155.83 40.58 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.621 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -155.72 119.92 4.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 57.78 36.29 26.33 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 122.475 1.131 . . . . 0.0 111.403 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.3 76.27 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.343 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.06 116.91 46.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.7 m -104.69 126.81 52.14 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.358 0.599 . . . . 0.0 110.178 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.76 143.21 50.87 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.857 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.9 m -108.78 112.99 25.56 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.332 0.587 . . . . 0.0 111.091 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 tt -114.1 146.29 18.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.555 -176.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.2 m -111.12 141.93 43.97 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m . . . . . 0 N--CA 1.427 -1.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.735 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.23 120.85 42.62 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 124.338 1.055 . . . . 0.0 108.388 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 64.5 m -92.04 131.51 37.26 Favored 'General case' 0 CA--C 1.481 -1.695 0 C-N-CA 119.157 -1.017 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -124.51 127.26 47.18 Favored 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 113.47 -1.695 . . . . 0.0 108.786 -175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.9 m -103.11 134.65 46.17 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.494 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.77 144.0 49.96 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.646 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 8.9 m -115.6 146.63 41.61 Favored 'General case' 0 C--N 1.288 -2.078 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.689 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -160.57 143.49 13.2 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 69.73 5.63 5.31 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.195 0.998 . . . . 0.0 111.269 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.61 8.23 57.4 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 121.19 -0.528 . . . . 0.0 111.787 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.32 134.58 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-O 121.272 0.558 . . . . 0.0 109.834 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.7 m -94.16 121.78 36.01 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-O 121.963 0.887 . . . . 0.0 110.275 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -110.88 136.77 49.41 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 114.331 -1.304 . . . . 0.0 107.818 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.6 m -109.96 116.74 32.15 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.769 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.9 mt -104.66 134.74 45.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.3 m -112.43 131.08 55.74 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.346 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.302 -1.497 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.279 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.695 0 N-CA-C 113.244 0.058 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -119.29 143.24 47.45 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 2.6 t -113.96 150.68 33.42 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 117.429 -1.708 . . . . 0.0 111.333 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 23.4 mmm180 -135.23 135.11 40.69 Favored 'General case' 0 C--N 1.276 -2.625 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.061 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.7 m -112.4 139.84 47.63 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.941 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.83 150.82 26.46 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.512 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 29.6 m -110.08 146.26 35.7 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -149.6 125.57 10.59 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 123.409 0.684 . . . . 0.0 109.796 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 63.43 23.96 13.92 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 122.229 1.014 . . . . 0.0 110.309 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.0 4.04 75.54 Favored Glycine 0 C--N 1.305 -1.155 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.505 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -113.36 128.49 70.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.1 m -99.01 130.06 45.33 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.458 0.647 . . . . 0.0 111.269 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -139.51 143.61 37.52 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.953 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.0 m -104.92 117.3 33.67 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.75 123.13 58.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 121.564 0.697 . . . . 0.0 109.405 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.4 m -99.87 132.29 45.32 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m . . . . . 0 N--CA 1.428 -1.534 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.384 -178.002 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.977 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -96.89 115.43 27.42 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.0 m -90.55 133.28 35.19 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 121.99 0.9 . . . . 0.0 111.09 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -133.66 135.21 43.96 Favored 'General case' 0 C--N 1.271 -2.811 0 CA-C-N 113.754 -1.566 . . . . 0.0 110.035 -174.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -103.17 118.82 37.64 Favored 'General case' 0 N--CA 1.416 -2.165 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.5 tp -140.48 157.07 46.06 Favored 'General case' 0 C--N 1.254 -3.585 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.93 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 8.1 m -111.53 149.67 31.06 Favored 'General case' 0 N--CA 1.42 -1.972 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.214 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -154.01 132.86 12.35 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 124.738 1.215 . . . . 0.0 108.189 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 64.29 22.6 12.85 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 122.191 0.996 . . . . 0.0 110.144 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 6.17 88.96 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.667 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 135.0 55.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.3 m -99.92 128.98 45.96 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.126 0.489 . . . . 0.0 111.037 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -134.71 155.58 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.112 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.9 m -105.29 112.65 25.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.518 0.675 . . . . 0.0 109.328 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -116.3 143.66 25.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.796 -173.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 58.0 m -119.17 134.43 55.21 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.876 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t . . . . . 0 N--CA 1.426 -1.635 0 CA-C-O 121.308 0.575 . . . . 0.0 110.616 178.105 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -131.02 133.83 46.11 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.701 0.8 . . . . 0.0 109.123 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 63.5 m -90.46 133.67 34.88 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.962 0.886 . . . . 0.0 111.673 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -132.63 139.52 47.79 Favored 'General case' 0 C--N 1.276 -2.597 0 CA-C-N 113.842 -1.526 . . . . 0.0 108.844 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.3 m -103.11 143.25 32.84 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.43 -175.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 tp -130.39 141.58 50.54 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 m -119.12 149.29 41.95 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.773 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -161.16 133.61 6.04 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.794 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 58.98 39.27 23.77 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.52 1.153 . . . . 0.0 110.137 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.87 3.51 68.33 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 114.168 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.3 t -113.03 129.41 68.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m -106.56 120.67 42.56 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.22 0.533 . . . . 0.0 110.326 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -123.28 147.38 47.02 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.472 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.8 m -107.7 128.28 54.42 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.768 0.794 . . . . 0.0 112.282 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 tt -112.61 150.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 28.9 m -119.3 130.95 55.66 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.912 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.306 -1.291 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -178.918 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.967 0 N-CA-C 112.044 -0.423 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -102.19 128.85 48.52 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.4 m -90.5 132.51 35.64 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-O 121.701 0.762 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -141.32 133.97 28.6 Favored 'General case' 0 C--N 1.264 -3.151 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.725 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.1 m -100.24 134.43 43.18 Favored 'General case' 0 C--N 1.291 -1.957 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.074 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -127.25 149.19 50.12 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.828 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 23.3 m -119.43 149.12 42.39 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.979 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -149.21 124.26 10.05 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.741 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 57.08 31.72 20.44 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.177 0.991 . . . . 0.0 109.92 -177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.0 -8.39 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.369 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.03 121.12 43.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.9 m -99.77 124.54 45.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.656 0.741 . . . . 0.0 111.456 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -116.84 139.13 50.97 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.73 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.3 m -108.89 123.65 49.41 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.842 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -133.41 153.93 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.7 m -113.08 133.1 55.16 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.776 -0.77 . . . . 0.0 108.943 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 m . . . . . 0 N--CA 1.426 -1.642 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.719 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 N-CA-C 111.967 -0.453 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -128.33 133.57 48.72 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 57.8 m -94.77 139.44 31.27 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.755 0.788 . . . . 0.0 113.072 -174.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -144.08 161.69 38.16 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.243 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.7 m -115.15 133.96 55.58 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.785 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.22 142.19 50.58 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.363 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.3 m -109.99 143.6 39.73 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.585 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -151.62 131.5 13.31 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -177.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 63.6 26.88 14.8 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.047 0.927 . . . . 0.0 110.298 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.84 4.47 89.49 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.447 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -112.87 132.46 61.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.9 m -98.11 129.98 44.9 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.362 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -126.85 142.12 51.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.1 m -104.64 107.25 18.1 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 122.113 0.959 . . . . 0.0 109.925 178.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.42 140.85 23.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.387 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 31.9 m -108.92 128.72 55.17 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.339 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m . . . . . 0 C--N 1.289 -2.039 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.225 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.987 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -110.94 127.88 55.63 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.4 m -91.87 144.53 25.39 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -176.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -159.97 165.48 31.92 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.915 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 28.8 m -108.49 134.76 50.83 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.602 176.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.11 145.58 51.7 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.204 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 22.8 m -113.24 153.06 28.98 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.258 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.5 134.7 11.3 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 124.588 1.155 . . . . 0.0 108.311 176.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 62.61 20.07 11.74 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.056 0.942 . . . . 0.0 111.476 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.58 6.4 80.51 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.8 t -111.13 128.54 67.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.8 m -104.19 130.93 51.95 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.125 0.488 . . . . 0.0 111.104 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -130.11 150.78 51.22 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.319 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.9 m -104.39 111.41 24.04 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.8 tp -133.52 156.37 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.547 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.955 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 30.1 m -106.83 147.61 29.52 Favored 'General case' 0 C--N 1.286 -2.162 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.643 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.433 -1.308 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.486 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.281 0 N-CA-C 112.196 -0.361 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -110.75 142.19 43.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 33.0 m -94.64 131.82 40.02 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 122.393 1.092 . . . . 0.0 113.608 -174.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -135.96 136.39 40.36 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 113.164 -1.835 . . . . 0.0 106.601 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 26.2 m -92.85 141.24 28.65 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 118.567 -1.253 . . . . 0.0 112.193 -175.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.12 167.66 21.57 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 9.3 m -124.68 155.68 38.83 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.726 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -149.65 123.47 9.29 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 66.69 21.73 10.54 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 122.914 1.34 . . . . 0.0 108.785 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.24 -5.53 76.47 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.728 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.81 126.71 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.6 m -90.76 132.74 35.66 Favored 'General case' 0 C--N 1.277 -2.572 0 CA-C-O 121.547 0.689 . . . . 0.0 111.948 -175.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -129.3 159.95 34.54 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.063 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 m -108.37 115.8 30.79 Favored 'General case' 0 N--CA 1.408 -2.544 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.34 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -104.35 153.43 6.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -173.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 29.7 m -119.43 123.92 45.27 Favored 'General case' 0 C--N 1.284 -2.257 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.092 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 t . . . . . 0 N--CA 1.413 -2.318 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.805 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.364 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -120.21 133.46 55.48 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.4 m -102.65 143.23 32.59 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -146.09 141.06 27.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.569 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 26.6 m -98.74 134.85 41.06 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.584 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.09 153.66 51.25 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.855 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 9.5 m -120.59 148.71 43.53 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.219 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -135.05 119.2 17.62 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 62.85 17.64 10.11 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.008 0.923 . . . . 0.0 111.231 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 -7.31 59.63 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.002 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.9 t -93.41 117.16 36.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.6 m -92.96 132.29 37.2 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.326 0.584 . . . . 0.0 111.654 -177.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -134.81 132.69 38.96 Favored 'General case' 0 N--CA 1.418 -2.046 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.568 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.9 m -89.8 112.87 24.31 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.551 175.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.07 146.78 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.416 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.6 m -110.95 144.45 40.01 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.678 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m . . . . . 0 N--CA 1.43 -1.436 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.085 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.145 0 N-CA-C 112.855 -0.098 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -131.66 136.17 47.48 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 37.6 m -95.58 141.45 29.08 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.24 -177.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -131.26 163.83 26.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.3 m -122.65 147.58 46.28 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.0 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -149.85 162.19 40.79 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.628 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 13.9 m -123.09 142.81 50.47 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -158.46 144.61 17.07 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 64.31 19.32 11.74 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-O 122.353 1.073 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.81 8.82 85.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.144 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.7 141.17 46.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 117.631 0.716 . . . . 0.0 109.323 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -94.66 131.3 40.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.902 178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -139.79 164.59 29.55 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.415 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.1 m -123.42 131.35 53.62 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 120.249 -0.581 . . . . 0.0 110.739 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -121.04 141.85 39.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.5 m -105.04 136.8 43.85 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.921 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m . . . . . 0 N--CA 1.439 -1.019 0 CA-C-O 121.362 0.601 . . . . 0.0 109.871 179.28 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.802 0 N-CA-C 112.663 -0.175 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -132.61 132.27 42.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 85.9 m -90.44 133.44 35.03 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 122.017 0.913 . . . . 0.0 111.006 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -135.91 126.49 27.05 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.017 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.4 m -95.74 138.01 33.99 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.314 175.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -129.39 135.8 49.16 Favored 'General case' 0 C--N 1.274 -2.675 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.99 139.23 52.8 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -149.45 137.81 20.75 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 59.72 29.33 18.89 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.521 1.128 . . . . 0.0 111.691 173.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.14 11.43 67.25 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 113.953 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.51 129.64 59.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.411 1.106 . . . . 0.0 111.284 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.3 m -94.8 127.37 40.75 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 121.474 0.654 . . . . 0.0 110.809 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -122.78 143.89 49.54 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.5 m -115.14 123.78 49.8 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.683 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.3 tp -127.21 154.19 37.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 47.4 m -118.87 128.36 54.37 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.305 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 t . . . . . 0 N--CA 1.417 -2.081 0 CA-C-O 121.324 0.583 . . . . 0.0 110.293 -179.611 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.428 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -122.18 151.29 41.15 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 10.3 t -131.91 163.03 29.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 117.532 -1.667 . . . . 0.0 111.408 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -147.14 126.01 12.73 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.389 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.9 m -105.78 140.46 38.79 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.724 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -143.1 159.17 42.77 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.081 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -130.3 155.28 46.59 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -151.99 119.22 5.92 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 59.61 27.07 16.21 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.714 1.205 . . . . 0.0 112.335 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.86 -7.37 55.17 Favored Glycine 0 C--N 1.311 -0.838 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.813 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.68 116.85 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.6 m -100.05 128.44 46.13 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -132.33 141.72 49.05 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.928 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.2 m -109.11 126.63 53.4 Favored 'General case' 0 C--N 1.291 -1.974 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.546 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.0 mm -104.96 106.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 48.6 m -108.74 130.7 55.37 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m . . . . . 0 C--N 1.317 -0.821 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.531 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.521 0 CA-C-O 120.309 -0.162 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.56 161.17 21.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 48.4 m -111.93 137.45 49.9 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.676 -174.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -140.09 140.57 36.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.451 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.2 m -95.21 147.72 23.16 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 tp -149.99 153.16 36.08 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 6.5 m -102.59 147.65 26.53 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 118.551 -1.26 . . . . 0.0 111.536 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -135.39 120.22 18.47 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 59.85 26.64 15.86 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 122.251 1.024 . . . . 0.0 111.609 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.85 4.77 74.98 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.216 -0.993 . . . . 0.0 113.545 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -120.68 130.89 74.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.1 m -90.81 124.83 35.45 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.932 0.872 . . . . 0.0 111.889 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -126.18 164.49 20.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.143 -1.39 . . . . 0.0 108.633 -174.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -117.0 123.36 46.7 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 118.966 -1.094 . . . . 0.0 112.17 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 tp -110.17 152.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 43.2 m -115.87 133.8 55.65 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.441 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m . . . . . 0 N--CA 1.436 -1.172 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -177.544 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.434 -1.477 0 N-CA-C 112.739 -0.144 . . . . 0.0 112.739 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -104.13 129.61 51.84 Favored 'General case' 0 C--N 1.307 -1.241 0 N-CA-C 109.285 -0.635 . . . . 0.0 109.285 -178.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.0 m -93.63 141.17 28.78 Favored 'General case' 0 N--CA 1.427 -1.615 0 CA-C-O 121.489 0.661 . . . . 0.0 111.675 -179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 17.8 tpp180 -145.96 132.57 19.85 Favored 'General case' 0 C--N 1.286 -2.185 0 CA-C-N 114.584 -1.189 . . . . 0.0 109.9 -177.38 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 78.8 m -103.58 136.51 43.17 Favored 'General case' 0 C--N 1.297 -1.678 0 C-N-CA 119.549 -0.86 . . . . 0.0 109.824 175.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -141.13 149.55 41.69 Favored 'General case' 0 C--N 1.276 -2.62 0 CA-C-N 115.16 -0.927 . . . . 0.0 109.674 178.601 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.6 m -122.61 142.84 50.21 Favored 'General case' 0 C--N 1.292 -1.923 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 178.236 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -141.52 126.01 17.75 Favored 'General case' 0 C--N 1.293 -1.85 0 N-CA-C 108.012 -1.106 . . . . 0.0 108.012 -176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 21.2 tpp180 60.08 30.96 20.37 Favored 'General case' 0 CA--C 1.553 1.094 0 CA-C-O 122.397 1.094 . . . . 0.0 110.304 178.41 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 75.47 12.17 83.84 Favored Glycine 0 N--CA 1.447 -0.602 0 CA-C-N 115.166 -0.925 . . . . 0.0 112.614 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 48.0 t -109.62 125.67 66.78 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.086 0 N-CA-C 107.382 -1.34 . . . . 0.0 107.382 177.639 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.4 m -101.34 129.82 47.41 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.965 0.888 . . . . 0.0 112.592 -177.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 32.0 ttm180 -121.08 117.86 28.27 Favored 'General case' 0 C--N 1.294 -1.845 0 CA-C-N 114.515 -1.22 . . . . 0.0 109.452 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 92.3 m -98.69 108.79 21.56 Favored 'General case' 0 C--N 1.285 -2.212 0 N-CA-C 108.447 -0.946 . . . . 0.0 108.447 172.093 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -122.09 155.75 26.77 Favored 'Isoleucine or valine' 0 C--N 1.291 -1.947 0 N-CA-C 109.362 -0.607 . . . . 0.0 109.362 -174.587 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.466 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 42.3 m -123.12 139.04 54.48 Favored 'General case' 0 C--N 1.289 -2.041 0 N-CA-C 107.971 -1.122 . . . . 0.0 107.971 176.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.0 m -145.67 134.8 22.77 Favored 'General case' 0 N--CA 1.429 -1.497 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.157 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 12.4 tpt180 . . . . . 0 N--CA 1.493 1.711 0 C-N-CA 125.121 1.369 . . . . 0.0 111.165 179.647 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.668 0 N-CA-C 112.707 -0.157 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -98.53 121.74 40.85 Favored 'General case' 0 C--N 1.311 -1.066 0 N-CA-C 109.739 -0.467 . . . . 0.0 109.739 -178.002 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 79.8 m -92.09 131.18 37.55 Favored 'General case' 0 CA--C 1.48 -1.739 0 CA-C-O 121.967 0.889 . . . . 0.0 110.11 176.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.6 ttm180 -136.35 137.53 40.69 Favored 'General case' 0 C--N 1.265 -3.07 0 CA-C-N 114.266 -1.334 . . . . 0.0 109.569 -172.537 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 31.1 m -104.07 135.94 44.63 Favored 'General case' 0 C--N 1.292 -1.934 0 C-N-CA 119.135 -1.026 . . . . 0.0 110.912 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.5 mt -129.08 152.54 48.57 Favored 'General case' 0 C--N 1.293 -1.869 0 CA-C-N 114.611 -1.177 . . . . 0.0 107.977 -177.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 18.0 m -124.02 153.98 40.54 Favored 'General case' 0 C--N 1.301 -1.533 0 C-N-CA 119.379 -0.929 . . . . 0.0 111.134 -177.424 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 41.2 ttm180 -158.43 134.34 9.07 Favored 'General case' 0 C--N 1.308 -1.224 0 N-CA-C 107.983 -1.117 . . . . 0.0 107.983 178.745 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 2.3 tpm_? 66.46 18.65 10.86 Favored 'General case' 0 N--CA 1.478 0.972 0 CA-C-O 122.011 0.91 . . . . 0.0 109.907 -179.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.87 2.26 89.69 Favored Glycine 0 CA--C 1.522 0.497 0 CA-C-N 115.473 -0.785 . . . . 0.0 112.185 -177.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -106.03 133.6 49.99 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 N-CA-C 107.728 -1.212 . . . . 0.0 107.728 -179.111 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 84.9 m -108.29 128.46 54.76 Favored 'General case' 0 C--N 1.299 -1.63 0 CA-C-O 121.322 0.582 . . . . 0.0 111.644 -176.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.4 ptp180 -124.49 147.0 48.64 Favored 'General case' 0 C--N 1.3 -1.558 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.26 -179.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.458 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.6 m -106.51 125.56 51.15 Favored 'General case' 0 C--N 1.298 -1.644 0 C-N-CA 119.968 -0.693 . . . . 0.0 111.532 -179.179 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 63.2 mt -119.0 145.27 25.32 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.274 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 -177.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.452 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 51.0 m -116.88 136.55 52.86 Favored 'General case' 0 C--N 1.296 -1.737 0 C-N-CA 120.346 -0.542 . . . . 0.0 109.693 -179.235 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.6 m -144.83 134.88 23.92 Favored 'General case' 0 C--N 1.305 -1.333 0 N-CA-C 108.577 -0.897 . . . . 0.0 108.577 177.531 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.6 tpp180 . . . . . 0 N--CA 1.479 0.992 0 C-N-CA 124.733 1.213 . . . . 0.0 110.475 176.984 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.441 -0.979 0 N-CA-C 111.046 -0.822 . . . . 0.0 111.046 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . 0.418 ' CG ' HH21 ' A' ' 4' ' ' ARG . 9.7 t70 -112.95 128.52 56.5 Favored 'General case' 0 C--N 1.298 -1.673 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 -176.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 86.3 m -90.11 130.04 36.32 Favored 'General case' 0 N--CA 1.416 -2.143 0 C-N-CA 117.834 -1.546 . . . . 0.0 108.267 173.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.418 HH21 ' CG ' ' A' ' 2' ' ' ASP . 9.8 ttm180 -141.67 144.34 34.07 Favored 'General case' 0 C--N 1.261 -3.273 0 CA-C-N 114.469 -1.242 . . . . 0.0 109.291 -170.232 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.2 m -104.19 136.08 44.46 Favored 'General case' 0 C--N 1.283 -2.317 0 C-N-CA 118.873 -1.131 . . . . 0.0 111.423 -176.151 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 5.7 mp -113.84 122.13 46.1 Favored 'General case' 0 C--N 1.285 -2.227 0 CA-C-N 114.2 -1.364 . . . . 0.0 107.467 -178.631 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 24.4 m -107.16 140.34 40.18 Favored 'General case' 0 C--N 1.291 -1.97 0 C-N-CA 119.551 -0.86 . . . . 0.0 109.204 179.022 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptp180 -160.91 139.77 10.18 Favored 'General case' 0 C--N 1.284 -2.276 0 CA-C-N 114.848 -1.069 . . . . 0.0 109.019 -176.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 49.9 ttp180 63.45 21.68 12.88 Favored 'General case' 0 CA--C 1.556 1.2 0 CA-C-O 121.96 0.886 . . . . 0.0 111.128 175.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.46 6.31 74.08 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.861 -0.609 . . . . 0.0 112.934 178.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.2 t -125.37 139.21 51.91 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.734 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 -177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.1 m -106.9 122.75 47.04 Favored 'General case' 0 CA--C 1.49 -1.361 0 CA-C-O 121.312 0.577 . . . . 0.0 110.713 178.622 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.5 ptm180 -118.22 132.16 56.33 Favored 'General case' 0 C--N 1.291 -1.976 0 CA-C-N 115.438 -0.801 . . . . 0.0 109.962 178.735 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.0 m -97.59 125.72 42.47 Favored 'General case' 0 C--N 1.301 -1.523 0 CA-C-O 121.246 0.546 . . . . 0.0 111.92 -177.433 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 59.8 mt -128.54 155.59 40.43 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.755 0 N-CA-C 107.015 -1.476 . . . . 0.0 107.015 -177.236 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.445 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.1 m -114.45 133.72 55.54 Favored 'General case' 0 C--N 1.295 -1.766 0 C-N-CA 119.403 -0.919 . . . . 0.0 110.343 178.688 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.1 m -151.27 145.33 25.28 Favored 'General case' 0 C--N 1.312 -1.045 0 N-CA-C 107.223 -1.399 . . . . 0.0 107.223 178.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 32.9 ttm180 . . . . . 0 N--CA 1.503 2.207 0 CA-C-O 122.582 1.182 . . . . 0.0 111.168 177.014 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.229 0 N-CA-C 112.298 -0.321 . . . . 0.0 112.298 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 24.5 t70 -112.38 120.28 41.15 Favored 'General case' 0 C--N 1.305 -1.355 0 N-CA-C 108.458 -0.942 . . . . 0.0 108.458 178.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 75.4 m -90.26 130.85 36.33 Favored 'General case' 0 CA--C 1.471 -2.061 0 CA-C-O 122.106 0.955 . . . . 0.0 110.265 177.313 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 37.2 ttm180 -137.56 126.1 23.6 Favored 'General case' 0 C--N 1.257 -3.415 0 CA-C-N 113.833 -1.53 . . . . 0.0 110.408 -173.421 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.7 m -100.44 143.72 30.29 Favored 'General case' 0 C--N 1.29 -1.998 0 C-N-CA 119.994 -0.683 . . . . 0.0 110.502 177.173 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.0 pp -138.92 161.11 38.13 Favored 'General case' 0 C--N 1.285 -2.231 0 CA-C-N 114.907 -1.042 . . . . 0.0 109.254 178.408 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 34.1 m -135.26 153.34 51.94 Favored 'General case' 0 C--N 1.295 -1.792 0 C-N-CA 119.966 -0.694 . . . . 0.0 109.577 179.107 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -159.99 129.26 5.14 Favored 'General case' 0 C--N 1.3 -1.577 0 N-CA-C 107.796 -1.187 . . . . 0.0 107.796 179.292 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 40.9 ttm180 66.83 18.74 10.68 Favored 'General case' 0 CA--C 1.558 1.276 0 CA-C-O 122.111 0.957 . . . . 0.0 110.383 179.461 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 87.75 -1.01 85.15 Favored Glycine 0 N--CA 1.447 -0.616 0 CA-C-N 115.516 -0.765 . . . . 0.0 111.846 -178.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 60.2 t -98.93 126.74 52.06 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.203 0 N-CA-C 107.764 -1.199 . . . . 0.0 107.764 -179.373 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 71.3 m -107.23 127.19 53.31 Favored 'General case' 0 C--N 1.292 -1.927 0 CA-C-O 121.718 0.77 . . . . 0.0 111.101 -178.233 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 65.5 mtp180 -121.91 132.45 54.56 Favored 'General case' 0 C--N 1.288 -2.084 0 CA-C-N 114.966 -1.015 . . . . 0.0 109.696 -179.08 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.462 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.5 m -105.4 119.6 39.49 Favored 'General case' 0 C--N 1.287 -2.141 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.91 178.53 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 58.5 mt -115.46 137.16 49.94 Favored 'Isoleucine or valine' 0 C--N 1.296 -1.726 0 N-CA-C 108.433 -0.951 . . . . 0.0 108.433 -177.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.429 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 81.1 m -113.7 123.74 50.62 Favored 'General case' 0 C--N 1.287 -2.134 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 176.585 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 31.7 m -145.5 140.75 27.73 Favored 'General case' 0 C--N 1.295 -1.798 0 N-CA-C 108.34 -0.985 . . . . 0.0 108.34 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.8 ttt180 . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 125.214 1.405 . . . . 0.0 110.713 179.229 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.355 0 N-CA-C 112.167 -0.373 . . . . 0.0 112.167 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -93.67 122.22 35.91 Favored 'General case' 0 C--N 1.309 -1.154 0 N-CA-C 108.554 -0.906 . . . . 0.0 108.554 -178.762 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 62.9 m -97.41 130.59 44.52 Favored 'General case' 0 CA--C 1.467 -2.245 0 C-N-CA 119.211 -0.995 . . . . 0.0 110.884 -179.785 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -140.49 157.81 44.95 Favored 'General case' 0 C--N 1.266 -3.058 0 CA-C-N 113.544 -1.662 . . . . 0.0 109.127 -177.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 42.6 m -119.87 148.28 43.68 Favored 'General case' 0 C--N 1.286 -2.176 0 C-N-CA 119.542 -0.863 . . . . 0.0 111.578 -176.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.5 pp -131.56 164.73 25.19 Favored 'General case' 0 C--N 1.298 -1.649 0 CA-C-N 114.892 -1.049 . . . . 0.0 108.465 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 19.2 m -129.78 152.16 49.57 Favored 'General case' 0 C--N 1.288 -2.069 0 C-N-CA 119.436 -0.906 . . . . 0.0 110.015 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.1 tpp180 -153.51 122.66 6.54 Favored 'General case' 0 C--N 1.306 -1.285 0 N-CA-C 107.84 -1.17 . . . . 0.0 107.84 -179.662 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.3 ttt180 58.79 37.83 24.86 Favored 'General case' 0 N--CA 1.48 1.034 0 CA-C-O 122.888 1.328 . . . . 0.0 110.005 -178.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 77.4 -3.46 58.86 Favored Glycine 0 N--CA 1.445 -0.739 0 CA-C-N 114.471 -1.24 . . . . 0.0 113.432 179.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 21.6 t -96.95 123.83 49.47 Favored 'Isoleucine or valine' 0 N--CA 1.438 -1.03 0 N-CA-C 108.287 -1.005 . . . . 0.0 108.287 -178.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 86.0 m -99.69 122.85 43.3 Favored 'General case' 0 C--N 1.294 -1.837 0 CA-C-O 121.558 0.694 . . . . 0.0 110.857 179.445 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 57.1 mtt180 -122.9 157.44 32.56 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-N 114.721 -1.127 . . . . 0.0 108.039 -175.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 62.1 m -117.96 143.1 46.66 Favored 'General case' 0 C--N 1.282 -2.348 0 C-N-CA 120.075 -0.65 . . . . 0.0 112.117 -176.009 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 5.8 tp -132.36 142.44 42.65 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.201 0 N-CA-C 108.179 -1.045 . . . . 0.0 108.179 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.411 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 60.1 m -114.99 127.73 55.85 Favored 'General case' 0 C--N 1.287 -2.112 0 C-N-CA 119.68 -0.808 . . . . 0.0 109.477 177.347 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.7 t -133.96 132.11 39.78 Favored 'General case' 0 N--CA 1.421 -1.9 0 N-CA-C 109.552 -0.536 . . . . 0.0 109.552 177.599 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 54.0 ttp180 . . . . . 0 N--CA 1.482 1.151 0 CA-C-O 122.905 1.336 . . . . 0.0 109.375 -178.531 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.438 -1.168 0 N-CA-C 112.29 -0.324 . . . . 0.0 112.29 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -106.9 114.78 29.08 Favored 'General case' 0 C--N 1.31 -1.129 0 N-CA-C 108.199 -1.038 . . . . 0.0 108.199 177.326 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 66.8 m -90.22 137.96 31.92 Favored 'General case' 0 N--CA 1.426 -1.65 0 CA-C-O 122.131 0.967 . . . . 0.0 112.259 -177.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 4.6 ptp180 -139.61 131.17 27.12 Favored 'General case' 0 C--N 1.276 -2.621 0 CA-C-N 113.717 -1.583 . . . . 0.0 110.329 -178.065 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 58.9 m -104.23 128.9 52.01 Favored 'General case' 0 C--N 1.29 -2.016 0 CA-C-O 122.024 0.916 . . . . 0.0 111.116 178.891 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 3.1 mm? -112.33 116.97 31.21 Favored 'General case' 0 C--N 1.274 -2.709 0 CA-C-N 113.896 -1.502 . . . . 0.0 107.495 178.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 9.7 m -109.0 143.3 38.46 Favored 'General case' 0 C--N 1.293 -1.884 0 C-N-CA 119.938 -0.705 . . . . 0.0 110.088 -176.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 17.0 ttm180 -160.86 142.34 12.02 Favored 'General case' 0 C--N 1.284 -2.256 0 N-CA-C 107.16 -1.422 . . . . 0.0 107.16 -179.205 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 28.2 tpt180 66.67 10.37 7.41 Favored 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 123.657 0.783 . . . . 0.0 111.435 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.11 -4.46 55.59 Favored Glycine 0 N--CA 1.433 -1.56 0 C-N-CA 121.186 -0.53 . . . . 0.0 113.167 179.745 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.9 p -119.21 141.14 40.56 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 CA-C-N 117.605 0.703 . . . . 0.0 109.787 -176.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 72.2 m -102.01 124.76 48.18 Favored 'General case' 0 N--CA 1.428 -1.551 0 CA-C-O 121.924 0.869 . . . . 0.0 112.226 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 15.9 mtm180 -98.95 105.76 17.94 Favored 'General case' 0 C--N 1.292 -1.928 0 N-CA-C 106.144 -1.798 . . . . 0.0 106.144 177.253 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.424 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 71.6 m -93.35 110.65 22.19 Favored 'General case' 0 C--N 1.28 -2.419 0 CA-C-O 121.484 0.659 . . . . 0.0 110.493 -178.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 45.9 mt -110.94 140.12 31.61 Favored 'Isoleucine or valine' 0 C--N 1.297 -1.709 0 CA-C-N 114.935 -1.03 . . . . 0.0 108.266 -175.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.7 m -115.96 127.4 54.93 Favored 'General case' 0 C--N 1.286 -2.155 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 178.006 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 4.2 m -128.89 124.11 34.38 Favored 'General case' 0 N--CA 1.423 -1.811 0 N-CA-C 108.033 -1.099 . . . . 0.0 108.033 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 17.8 tpt180 . . . . . 0 C--N 1.306 -1.295 0 C-N-CA 125.159 1.384 . . . . 0.0 111.84 178.502 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.302 0 N-CA-C 112.326 -0.309 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -106.98 121.36 44.3 Favored 'General case' 0 CA--C 1.5 -0.96 0 N-CA-C 108.427 -0.953 . . . . 0.0 108.427 177.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 63.1 m -90.83 138.27 31.72 Favored 'General case' 0 C--N 1.298 -1.642 0 CA-C-O 121.867 0.841 . . . . 0.0 111.466 179.698 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.417 ' HB2' ' HE ' ' A' ' 4' ' ' ARG . 14.7 ttm180 -146.2 130.82 17.87 Favored 'General case' 0 C--N 1.28 -2.434 0 CA-C-N 114.511 -1.222 . . . . 0.0 110.279 -174.48 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 27.6 m -94.61 132.74 39.0 Favored 'General case' 0 C--N 1.295 -1.799 0 C-N-CA 119.349 -0.941 . . . . 0.0 110.453 177.713 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 89.7 mt -121.55 144.75 48.55 Favored 'General case' 0 C--N 1.282 -2.335 0 CA-C-N 114.055 -1.43 . . . . 0.0 107.595 -178.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 38.6 m -125.87 155.83 40.58 Favored 'General case' 0 C--N 1.283 -2.325 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.621 -178.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -155.72 119.92 4.57 Favored 'General case' 0 C--N 1.301 -1.534 0 N-CA-C 109.254 -0.647 . . . . 0.0 109.254 176.826 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 45.2 ttp180 57.78 36.29 26.33 Favored 'General case' 0 CA--C 1.555 1.17 0 CA-C-O 122.475 1.131 . . . . 0.0 111.403 174.46 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 92.83 -5.3 76.27 Favored Glycine 0 N--CA 1.443 -0.892 0 CA-C-N 115.389 -0.823 . . . . 0.0 113.343 176.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 90.2 t -102.06 116.91 46.57 Favored 'Isoleucine or valine' 0 C--N 1.308 -1.234 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 90.7 m -104.69 126.81 52.14 Favored 'General case' 0 C--N 1.299 -1.61 0 CA-C-O 121.358 0.599 . . . . 0.0 110.178 177.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 29.8 mtm180 -128.76 143.21 50.87 Favored 'General case' 0 C--N 1.282 -2.34 0 CA-C-N 115.015 -0.993 . . . . 0.0 109.857 -179.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.459 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 67.9 m -108.78 112.99 25.56 Favored 'General case' 0 C--N 1.297 -1.683 0 CA-C-O 121.332 0.587 . . . . 0.0 111.091 -176.653 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.7 tt -114.1 146.29 18.83 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.259 0 CA-C-N 115.023 -0.99 . . . . 0.0 108.555 -176.574 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.489 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 57.2 m -111.12 141.93 43.97 Favored 'General case' 0 C--N 1.283 -2.303 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 177.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 12.6 m -142.99 126.2 16.49 Favored 'General case' 0 N--CA 1.427 -1.623 0 N-CA-C 108.88 -0.785 . . . . 0.0 108.88 178.735 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 . . . . . 0 N--CA 1.483 1.214 0 C-N-CA 125.848 1.659 . . . . 0.0 111.706 178.346 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.583 0 N-CA-C 110.909 -0.876 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -113.23 120.85 42.62 Favored 'General case' 0 C--N 1.309 -1.171 0 C-N-CA 124.338 1.055 . . . . 0.0 108.388 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 64.5 m -92.04 131.51 37.26 Favored 'General case' 0 CA--C 1.481 -1.695 0 C-N-CA 119.157 -1.017 . . . . 0.0 111.375 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 98.7 mtt180 -124.51 127.26 47.18 Favored 'General case' 0 C--N 1.274 -2.702 0 CA-C-N 113.47 -1.695 . . . . 0.0 108.786 -175.609 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 39.9 m -103.11 134.65 46.17 Favored 'General case' 0 C--N 1.291 -1.965 0 C-N-CA 119.372 -0.931 . . . . 0.0 111.494 -179.203 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.9 mp -132.77 144.0 49.96 Favored 'General case' 0 C--N 1.291 -1.954 0 CA-C-N 114.144 -1.389 . . . . 0.0 107.646 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 8.9 m -115.6 146.63 41.61 Favored 'General case' 0 C--N 1.288 -2.078 0 C-N-CA 119.749 -0.78 . . . . 0.0 109.689 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 56.0 ttp180 -160.57 143.49 13.2 Favored 'General case' 0 C--N 1.298 -1.667 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 179.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 19.9 tpt180 69.73 5.63 5.31 Favored 'General case' 0 CA--C 1.548 0.887 0 C-N-CA 124.195 0.998 . . . . 0.0 111.269 175.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 96.61 8.23 57.4 Favored Glycine 0 N--CA 1.439 -1.109 0 C-N-CA 121.19 -0.528 . . . . 0.0 111.787 -177.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 7.2 p -124.32 134.58 66.28 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.215 0 CA-C-O 121.272 0.558 . . . . 0.0 109.834 178.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 71.7 m -94.16 121.78 36.01 Favored 'General case' 0 N--CA 1.422 -1.84 0 CA-C-O 121.963 0.887 . . . . 0.0 110.275 177.741 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 41.6 mtm180 -110.88 136.77 49.41 Favored 'General case' 0 C--N 1.278 -2.525 0 CA-C-N 114.331 -1.304 . . . . 0.0 107.818 -176.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.439 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.6 m -109.96 116.74 32.15 Favored 'General case' 0 C--N 1.284 -2.276 0 C-N-CA 119.311 -0.956 . . . . 0.0 109.769 176.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 56.9 mt -104.66 134.74 45.21 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.602 0 N-CA-C 107.596 -1.261 . . . . 0.0 107.596 -177.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.401 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 56.3 m -112.43 131.08 55.74 Favored 'General case' 0 C--N 1.294 -1.84 0 C-N-CA 119.348 -0.941 . . . . 0.0 110.346 -178.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.0 m -148.34 141.8 25.33 Favored 'General case' 0 C--N 1.302 -1.497 0 N-CA-C 107.018 -1.475 . . . . 0.0 107.018 178.279 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 50.4 ttp180 . . . . . 0 N--CA 1.492 1.647 0 C-N-CA 124.451 1.1 . . . . 0.0 110.022 -179.218 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.431 -1.695 0 N-CA-C 113.244 0.058 . . . . 0.0 113.244 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 14.6 t70 -119.29 143.24 47.45 Favored 'General case' 0 CA--C 1.499 -0.998 0 N-CA-C 106.109 -1.811 . . . . 0.0 106.109 176.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 2.6 t -113.96 150.68 33.42 Favored 'General case' 0 CA--C 1.477 -1.865 0 C-N-CA 117.429 -1.708 . . . . 0.0 111.333 -176.631 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . 0.441 ' HD2' ' O ' ' A' ' 3' ' ' CYS . 23.4 mmm180 -135.23 135.11 40.69 Favored 'General case' 0 C--N 1.276 -2.625 0 CA-C-N 113.924 -1.489 . . . . 0.0 108.061 -174.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 67.7 m -112.4 139.84 47.63 Favored 'General case' 0 C--N 1.289 -2.05 0 C-N-CA 119.532 -0.867 . . . . 0.0 109.941 176.466 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -155.83 150.82 26.46 Favored 'General case' 0 C--N 1.29 -2.015 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.512 -178.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 29.6 m -110.08 146.26 35.7 Favored 'General case' 0 C--N 1.282 -2.333 0 N-CA-C 108.4 -0.963 . . . . 0.0 108.4 175.616 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -149.6 125.57 10.59 Favored 'General case' 0 C--N 1.29 -2.001 0 C-N-CA 123.409 0.684 . . . . 0.0 109.796 -175.809 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.5 ttp180 63.43 23.96 13.92 Favored 'General case' 0 CA--C 1.552 1.054 0 CA-C-O 122.229 1.014 . . . . 0.0 110.309 178.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 89.0 4.04 75.54 Favored Glycine 0 C--N 1.305 -1.155 0 C-N-CA 120.889 -0.672 . . . . 0.0 112.505 179.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 49.1 t -113.36 128.49 70.15 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.013 0 N-CA-C 108.359 -0.978 . . . . 0.0 108.359 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 79.1 m -99.01 130.06 45.33 Favored 'General case' 0 C--N 1.304 -1.384 0 CA-C-O 121.458 0.647 . . . . 0.0 111.269 179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -139.51 143.61 37.52 Favored 'General case' 0 C--N 1.298 -1.659 0 CA-C-N 115.337 -0.847 . . . . 0.0 109.953 -179.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.456 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 85.0 m -104.92 117.3 33.67 Favored 'General case' 0 C--N 1.29 -1.991 0 N-CA-C 108.309 -0.997 . . . . 0.0 108.309 173.658 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.1 tt -104.75 123.13 58.56 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.66 0 CA-C-O 121.564 0.697 . . . . 0.0 109.405 -178.631 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 62.4 m -99.87 132.29 45.32 Favored 'General case' 0 C--N 1.281 -2.373 0 N-CA-C 108.598 -0.89 . . . . 0.0 108.598 -179.585 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.9 m -143.52 131.2 21.31 Favored 'General case' 0 N--CA 1.428 -1.534 0 C-N-CA 120.365 -0.534 . . . . 0.0 110.384 -178.002 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 21.2 tpt180 . . . . . 0 C--N 1.304 -1.41 0 C-N-CA 125.91 1.684 . . . . 0.0 112.556 174.825 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.977 0 N-CA-C 111.962 -0.455 . . . . 0.0 111.962 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -96.89 115.43 27.42 Favored 'General case' 0 C--N 1.308 -1.234 0 N-CA-C 109.046 -0.724 . . . . 0.0 109.046 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 73.0 m -90.55 133.28 35.19 Favored 'General case' 0 CA--C 1.476 -1.883 0 CA-C-O 121.99 0.9 . . . . 0.0 111.09 178.776 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -133.66 135.21 43.96 Favored 'General case' 0 C--N 1.271 -2.811 0 CA-C-N 113.754 -1.566 . . . . 0.0 110.035 -174.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 59.5 m -103.17 118.82 37.64 Favored 'General case' 0 N--CA 1.416 -2.165 0 N-CA-C 107.667 -1.234 . . . . 0.0 107.667 170.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 38.5 tp -140.48 157.07 46.06 Favored 'General case' 0 C--N 1.254 -3.585 0 CA-C-N 114.126 -1.397 . . . . 0.0 108.93 -169.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 8.1 m -111.53 149.67 31.06 Favored 'General case' 0 N--CA 1.42 -1.972 0 C-N-CA 119.712 -0.795 . . . . 0.0 110.214 -178.825 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.8 ptm180 -154.01 132.86 12.35 Favored 'General case' 0 C--N 1.308 -1.208 0 C-N-CA 124.738 1.215 . . . . 0.0 108.189 -179.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 23.4 tpt180 64.29 22.6 12.85 Favored 'General case' 0 CA--C 1.56 1.328 0 CA-C-O 122.191 0.996 . . . . 0.0 110.144 -178.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.32 6.17 88.96 Favored Glycine 0 N--CA 1.449 -0.484 0 CA-C-N 115.67 -0.695 . . . . 0.0 112.667 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 46.7 t -114.64 135.0 55.87 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.769 0 N-CA-C 107.872 -1.159 . . . . 0.0 107.872 179.822 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.425 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.3 m -99.92 128.98 45.96 Favored 'General case' 0 C--N 1.3 -1.566 0 CA-C-O 121.126 0.489 . . . . 0.0 111.037 -178.691 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 50.9 mtp180 -134.71 155.58 50.29 Favored 'General case' 0 C--N 1.311 -1.068 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.112 -175.523 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.476 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 78.9 m -105.29 112.65 25.84 Favored 'General case' 0 C--N 1.297 -1.712 0 CA-C-O 121.518 0.675 . . . . 0.0 109.328 174.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 74.1 mt -116.3 143.66 25.84 Favored 'Isoleucine or valine' 0 C--N 1.305 -1.347 0 CA-C-N 114.794 -1.094 . . . . 0.0 108.796 -173.392 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 58.0 m -119.17 134.43 55.21 Favored 'General case' 0 C--N 1.303 -1.414 0 C-N-CA 119.919 -0.712 . . . . 0.0 109.876 178.411 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.6 t -142.8 132.11 23.42 Favored 'General case' 0 N--CA 1.426 -1.635 0 CA-C-O 121.308 0.575 . . . . 0.0 110.616 178.105 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 16.1 tpt180 . . . . . 0 N--CA 1.499 2.002 0 C-N-CA 125.189 1.396 . . . . 0.0 111.149 -179.071 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.445 -0.71 0 N-CA-C 110.595 -1.002 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -131.02 133.83 46.11 Favored 'General case' 0 C--N 1.298 -1.635 0 C-N-CA 123.701 0.8 . . . . 0.0 109.123 -178.027 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 63.5 m -90.46 133.67 34.88 Favored 'General case' 0 C--N 1.283 -2.32 0 CA-C-O 121.962 0.886 . . . . 0.0 111.673 -179.806 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 38.7 ttm180 -132.63 139.52 47.79 Favored 'General case' 0 C--N 1.276 -2.597 0 CA-C-N 113.842 -1.526 . . . . 0.0 108.844 -176.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 38.3 m -103.11 143.25 32.84 Favored 'General case' 0 C--N 1.292 -1.901 0 C-N-CA 119.426 -0.91 . . . . 0.0 112.43 -175.415 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 61.8 tp -130.39 141.58 50.54 Favored 'General case' 0 C--N 1.298 -1.672 0 N-CA-C 108.058 -1.09 . . . . 0.0 108.058 -177.244 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 27.1 m -119.12 149.29 41.95 Favored 'General case' 0 C--N 1.291 -1.936 0 C-N-CA 119.369 -0.933 . . . . 0.0 109.773 179.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -161.16 133.61 6.04 Favored 'General case' 0 C--N 1.292 -1.925 0 CA-C-N 115.46 -0.791 . . . . 0.0 109.794 177.26 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 50.8 ttp180 58.98 39.27 23.77 Favored 'General case' 0 CA--C 1.546 0.802 0 CA-C-O 122.52 1.153 . . . . 0.0 110.137 177.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.87 3.51 68.33 Favored Glycine 0 N--CA 1.447 -0.629 0 CA-C-N 114.683 -1.144 . . . . 0.0 114.168 177.575 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 68.3 t -113.03 129.41 68.74 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.84 0 N-CA-C 108.803 -0.814 . . . . 0.0 108.803 -178.344 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 79.7 m -106.56 120.67 42.56 Favored 'General case' 0 CA--C 1.49 -1.357 0 CA-C-O 121.22 0.533 . . . . 0.0 110.326 177.617 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 26.4 ttm-85 -123.28 147.38 47.02 Favored 'General case' 0 C--N 1.287 -2.125 0 CA-C-N 114.925 -1.034 . . . . 0.0 109.472 -178.405 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.443 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 55.8 m -107.7 128.28 54.42 Favored 'General case' 0 N--CA 1.424 -1.739 0 CA-C-O 121.768 0.794 . . . . 0.0 112.282 -176.118 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 12.2 tt -112.61 150.3 14.85 Favored 'Isoleucine or valine' 0 C--N 1.306 -1.288 0 N-CA-C 107.143 -1.428 . . . . 0.0 107.143 179.586 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.432 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 28.9 m -119.3 130.95 55.66 Favored 'General case' 0 C--N 1.287 -2.111 0 C-N-CA 118.933 -1.107 . . . . 0.0 109.912 -179.326 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.3 m -149.6 149.62 30.95 Favored 'General case' 0 C--N 1.306 -1.291 0 N-CA-C 105.953 -1.869 . . . . 0.0 105.953 -178.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.6 ttp180 . . . . . 0 N--CA 1.506 2.336 0 CA-C-O 123.13 1.443 . . . . 0.0 109.59 -178.922 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.967 0 N-CA-C 112.044 -0.423 . . . . 0.0 112.044 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -102.19 128.85 48.52 Favored 'General case' 0 CA--C 1.495 -1.156 0 N-CA-C 109.321 -0.622 . . . . 0.0 109.321 -178.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.4 m -90.5 132.51 35.64 Favored 'General case' 0 N--CA 1.421 -1.897 0 CA-C-O 121.701 0.762 . . . . 0.0 110.748 178.606 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 29.4 tpt180 -141.32 133.97 28.6 Favored 'General case' 0 C--N 1.264 -3.151 0 CA-C-N 114.182 -1.372 . . . . 0.0 109.725 -175.219 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 57.1 m -100.24 134.43 43.18 Favored 'General case' 0 C--N 1.291 -1.957 0 C-N-CA 119.617 -0.833 . . . . 0.0 109.074 175.652 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 4.8 mp -127.25 149.19 50.12 Favored 'General case' 0 C--N 1.276 -2.607 0 CA-C-N 115.291 -0.868 . . . . 0.0 108.828 179.696 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 23.3 m -119.43 149.12 42.39 Favored 'General case' 0 C--N 1.293 -1.873 0 C-N-CA 119.46 -0.896 . . . . 0.0 109.979 -179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 14.5 ptm180 -149.21 124.26 10.05 Favored 'General case' 0 C--N 1.298 -1.651 0 CA-C-N 115.228 -0.896 . . . . 0.0 108.741 -179.195 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 11.1 tpp180 57.08 31.72 20.44 Favored 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 124.177 0.991 . . . . 0.0 109.92 -177.561 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.0 -8.39 73.52 Favored Glycine 0 CA--C 1.53 0.975 0 CA-C-N 115.595 -0.73 . . . . 0.0 113.369 -179.734 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 57.3 t -93.03 121.12 43.47 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 N-CA-C 108.764 -0.828 . . . . 0.0 108.764 -179.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.4 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.9 m -99.77 124.54 45.14 Favored 'General case' 0 C--N 1.297 -1.716 0 CA-C-O 121.656 0.741 . . . . 0.0 111.456 -179.534 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 36.7 mmt180 -116.84 139.13 50.97 Favored 'General case' 0 C--N 1.288 -2.083 0 CA-C-N 114.542 -1.208 . . . . 0.0 109.73 179.466 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.45 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 79.3 m -108.89 123.65 49.41 Favored 'General case' 0 C--N 1.28 -2.42 0 C-N-CA 120.328 -0.549 . . . . 0.0 109.842 177.374 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.2 tp -133.41 153.93 38.05 Favored 'Isoleucine or valine' 0 C--N 1.294 -1.844 0 N-CA-C 108.638 -0.875 . . . . 0.0 108.638 -177.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.482 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 34.7 m -113.08 133.1 55.16 Favored 'General case' 0 C--N 1.297 -1.689 0 C-N-CA 119.776 -0.77 . . . . 0.0 108.943 176.559 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 10.9 m -139.58 133.59 30.96 Favored 'General case' 0 N--CA 1.426 -1.642 0 N-CA-C 108.557 -0.905 . . . . 0.0 108.557 -179.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.401 HH11 ' HD3' ' A' ' 18' ' ' ARG . 39.6 ttp180 . . . . . 0 N--CA 1.489 1.505 0 C-N-CA 125.792 1.637 . . . . 0.0 111.085 -178.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.448 -0.505 0 N-CA-C 111.967 -0.453 . . . . 0.0 111.967 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 30.3 t70 -128.33 133.57 48.72 Favored 'General case' 0 C--N 1.305 -1.362 0 N-CA-C 108.756 -0.831 . . . . 0.0 108.756 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 57.8 m -94.77 139.44 31.27 Favored 'General case' 0 C--N 1.303 -1.431 0 CA-C-O 121.755 0.788 . . . . 0.0 113.072 -174.888 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 31.4 ptt180 -144.08 161.69 38.16 Favored 'General case' 0 C--N 1.288 -2.066 0 CA-C-N 114.328 -1.305 . . . . 0.0 109.243 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 34.7 m -115.15 133.96 55.58 Favored 'General case' 0 C--N 1.3 -1.579 0 C-N-CA 119.286 -0.965 . . . . 0.0 111.785 -179.474 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 95.4 mt -130.22 142.19 50.58 Favored 'General case' 0 C--N 1.29 -2.002 0 CA-C-N 114.403 -1.271 . . . . 0.0 108.363 -177.125 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 16.3 m -109.99 143.6 39.73 Favored 'General case' 0 C--N 1.293 -1.885 0 C-N-CA 119.086 -1.046 . . . . 0.0 109.585 177.603 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 72.3 mtp180 -151.62 131.5 13.31 Favored 'General case' 0 C--N 1.303 -1.441 0 N-CA-C 107.774 -1.195 . . . . 0.0 107.774 -177.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.1 ttp180 63.6 26.88 14.8 Favored 'General case' 0 N--CA 1.481 1.099 0 CA-C-O 122.047 0.927 . . . . 0.0 110.298 178.305 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 79.84 4.47 89.49 Favored Glycine 0 N--CA 1.445 -0.71 0 CA-C-N 115.468 -0.787 . . . . 0.0 112.447 -179.616 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 47.5 t -112.87 132.46 61.6 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.974 0 N-CA-C 107.717 -1.216 . . . . 0.0 107.717 -178.311 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.435 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 85.9 m -98.11 129.98 44.9 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 120.089 -0.645 . . . . 0.0 110.362 178.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 80.5 mtp180 -126.85 142.12 51.63 Favored 'General case' 0 C--N 1.299 -1.595 0 N-CA-C 108.534 -0.914 . . . . 0.0 108.534 -177.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.431 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.1 m -104.64 107.25 18.1 Favored 'General case' 0 C--N 1.289 -2.06 0 CA-C-O 122.113 0.959 . . . . 0.0 109.925 178.02 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 53.2 mt -106.42 140.85 23.19 Favored 'Isoleucine or valine' 0 C--N 1.299 -1.589 0 CA-C-N 114.384 -1.28 . . . . 0.0 108.387 -172.624 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.446 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 31.9 m -108.92 128.72 55.17 Favored 'General case' 0 C--N 1.287 -2.139 0 C-N-CA 119.759 -0.776 . . . . 0.0 109.339 179.638 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 26.9 m -140.78 144.96 35.75 Favored 'General case' 0 C--N 1.289 -2.039 0 N-CA-C 106.801 -1.555 . . . . 0.0 106.801 179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 75.9 ttt180 . . . . . 0 N--CA 1.484 1.265 0 CA-C-O 122.735 1.255 . . . . 0.0 109.744 -178.605 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.426 -1.987 0 N-CA-C 112.007 -0.437 . . . . 0.0 112.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 28.4 t70 -110.94 127.88 55.63 Favored 'General case' 0 C--N 1.308 -1.215 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 178.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 60.4 m -91.87 144.53 25.39 Favored 'General case' 0 C--N 1.298 -1.663 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 -176.043 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 21.1 ptt180 -159.97 165.48 31.92 Favored 'General case' 0 C--N 1.301 -1.528 0 CA-C-N 115.06 -0.973 . . . . 0.0 109.915 -176.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 28.8 m -108.49 134.76 50.83 Favored 'General case' 0 C--N 1.296 -1.738 0 C-N-CA 118.635 -1.226 . . . . 0.0 109.602 176.669 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 88.4 mt -130.11 145.58 51.7 Favored 'General case' 0 C--N 1.296 -1.736 0 CA-C-N 114.768 -1.105 . . . . 0.0 109.204 -174.512 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 22.8 m -113.24 153.06 28.98 Favored 'General case' 0 C--N 1.289 -2.061 0 C-N-CA 119.553 -0.859 . . . . 0.0 110.258 178.129 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -156.5 134.7 11.3 Favored 'General case' 0 C--N 1.299 -1.624 0 C-N-CA 124.588 1.155 . . . . 0.0 108.311 176.777 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.7 tpt180 62.61 20.07 11.74 Favored 'General case' 0 CA--C 1.558 1.274 0 C-N-CA 124.056 0.942 . . . . 0.0 111.476 177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 86.58 6.4 80.51 Favored Glycine 0 N--CA 1.444 -0.803 0 N-CA-C 111.712 -0.555 . . . . 0.0 111.712 -178.419 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 85.8 t -111.13 128.54 67.52 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.125 0 N-CA-C 108.715 -0.846 . . . . 0.0 108.715 179.539 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.413 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 64.8 m -104.19 130.93 51.95 Favored 'General case' 0 C--N 1.295 -1.782 0 CA-C-O 121.125 0.488 . . . . 0.0 111.104 179.622 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 86.6 mtt180 -130.11 150.78 51.22 Favored 'General case' 0 C--N 1.303 -1.424 0 CA-C-N 115.414 -0.812 . . . . 0.0 109.319 -179.632 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.497 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 80.9 m -104.39 111.41 24.04 Favored 'General case' 0 C--N 1.294 -1.813 0 N-CA-C 109.349 -0.611 . . . . 0.0 109.349 176.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 10.8 tp -133.52 156.37 41.49 Favored 'Isoleucine or valine' 0 N--CA 1.428 -1.547 0 CA-C-N 115.214 -0.903 . . . . 0.0 108.955 -171.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.46 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 30.1 m -106.83 147.61 29.52 Favored 'General case' 0 C--N 1.286 -2.162 0 C-N-CA 119.256 -0.978 . . . . 0.0 110.643 -178.326 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 6.4 m -139.99 131.36 26.81 Favored 'General case' 0 N--CA 1.433 -1.308 0 N-CA-C 107.874 -1.158 . . . . 0.0 107.874 177.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 59.0 ttt180 . . . . . 0 N--CA 1.489 1.506 0 C-N-CA 125.429 1.492 . . . . 0.0 112.052 176.09 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.437 -1.281 0 N-CA-C 112.196 -0.361 . . . . 0.0 112.196 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -110.75 142.19 43.04 Favored 'General case' 0 C--N 1.32 -0.688 0 N-CA-C 109.437 -0.579 . . . . 0.0 109.437 -178.145 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 33.0 m -94.64 131.82 40.02 Favored 'General case' 0 N--CA 1.426 -1.661 0 CA-C-O 122.393 1.092 . . . . 0.0 113.608 -174.732 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 2.4 tpm_? -135.96 136.39 40.36 Favored 'General case' 0 C--N 1.288 -2.093 0 CA-C-N 113.164 -1.835 . . . . 0.0 106.601 -176.765 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 26.2 m -92.85 141.24 28.65 Favored 'General case' 0 C--N 1.287 -2.141 0 C-N-CA 118.567 -1.253 . . . . 0.0 112.193 -175.406 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 82.0 mt -139.12 167.66 21.57 Favored 'General case' 0 C--N 1.302 -1.466 0 N-CA-C 106.516 -1.661 . . . . 0.0 106.516 -175.299 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 9.3 m -124.68 155.68 38.83 Favored 'General case' 0 C--N 1.296 -1.749 0 C-N-CA 117.904 -1.518 . . . . 0.0 111.726 -176.614 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 15.0 ttp180 -149.65 123.47 9.29 Favored 'General case' 0 C--N 1.314 -0.948 0 N-CA-C 107.752 -1.203 . . . . 0.0 107.752 -178.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 78.0 ttt180 66.69 21.73 10.54 Favored 'General case' 0 N--CA 1.482 1.128 0 CA-C-O 122.914 1.34 . . . . 0.0 108.785 -176.662 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 83.24 -5.53 76.47 Favored Glycine 0 N--CA 1.443 -0.895 0 CA-C-N 114.849 -1.069 . . . . 0.0 111.728 -177.609 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 40.0 t -95.81 126.71 48.3 Favored 'Isoleucine or valine' 0 N--CA 1.434 -1.239 0 N-CA-C 107.238 -1.393 . . . . 0.0 107.238 -178.179 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 78.6 m -90.76 132.74 35.66 Favored 'General case' 0 C--N 1.277 -2.572 0 CA-C-O 121.547 0.689 . . . . 0.0 111.948 -175.596 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 16.5 mmt180 -129.3 159.95 34.54 Favored 'General case' 0 C--N 1.297 -1.685 0 CA-C-N 114.618 -1.174 . . . . 0.0 109.063 -177.45 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.461 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 66.9 m -108.37 115.8 30.79 Favored 'General case' 0 N--CA 1.408 -2.544 0 C-N-CA 118.817 -1.153 . . . . 0.0 111.34 179.753 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 46.6 mm -104.35 153.43 6.33 Favored 'Isoleucine or valine' 0 C--N 1.307 -1.245 0 N-CA-C 107.297 -1.371 . . . . 0.0 107.297 -173.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.471 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 29.7 m -119.43 123.92 45.27 Favored 'General case' 0 C--N 1.284 -2.257 0 C-N-CA 118.923 -1.111 . . . . 0.0 110.092 -179.318 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 8.5 t -128.86 135.71 49.46 Favored 'General case' 0 N--CA 1.413 -2.318 0 N-CA-C 108.871 -0.788 . . . . 0.0 108.871 -177.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 39.1 ttp180 . . . . . 0 N--CA 1.484 1.228 0 C-N-CA 125.216 1.406 . . . . 0.0 109.528 -176.478 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.436 -1.364 0 N-CA-C 111.772 -0.531 . . . . 0.0 111.772 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -120.21 133.46 55.48 Favored 'General case' 0 C--N 1.306 -1.293 0 N-CA-C 107.184 -1.413 . . . . 0.0 107.184 177.7 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 38.4 m -102.65 143.23 32.59 Favored 'General case' 0 C--N 1.299 -1.611 0 N-CA-C 113.91 1.078 . . . . 0.0 113.91 -173.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 51.6 ttp180 -146.09 141.06 27.2 Favored 'General case' 0 C--N 1.305 -1.366 0 CA-C-N 114.707 -1.133 . . . . 0.0 109.569 -179.143 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 26.6 m -98.74 134.85 41.06 Favored 'General case' 0 C--N 1.301 -1.512 0 C-N-CA 118.989 -1.085 . . . . 0.0 110.584 179.82 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 97.3 mt -136.09 153.66 51.25 Favored 'General case' 0 C--N 1.292 -1.898 0 CA-C-N 115.293 -0.867 . . . . 0.0 108.855 -176.782 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 9.5 m -120.59 148.71 43.53 Favored 'General case' 0 C--N 1.294 -1.827 0 C-N-CA 119.827 -0.749 . . . . 0.0 110.219 179.686 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 77.2 mtp180 -135.05 119.2 17.62 Favored 'General case' 0 C--N 1.306 -1.306 0 N-CA-C 107.473 -1.306 . . . . 0.0 107.473 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.1 tpm_? 62.85 17.64 10.11 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.008 0.923 . . . . 0.0 111.231 -178.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 99.5 -7.31 59.63 Favored Glycine 0 N--CA 1.438 -1.206 0 C-N-CA 120.943 -0.646 . . . . 0.0 112.002 -178.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 96.9 t -93.41 117.16 36.25 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.944 0 N-CA-C 107.791 -1.189 . . . . 0.0 107.791 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 84.6 m -92.96 132.29 37.2 Favored 'General case' 0 C--N 1.288 -2.073 0 CA-C-O 121.326 0.584 . . . . 0.0 111.654 -177.239 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 45.8 ttp180 -134.81 132.69 38.96 Favored 'General case' 0 N--CA 1.418 -2.046 0 CA-C-N 115.079 -0.964 . . . . 0.0 109.568 -178.734 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.491 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 82.9 m -89.8 112.87 24.31 Favored 'General case' 0 C--N 1.295 -1.782 0 C-N-CA 119.853 -0.739 . . . . 0.0 109.551 175.175 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 13.6 tt -116.07 146.78 20.04 Favored 'Isoleucine or valine' 0 N--CA 1.435 -1.214 0 CA-C-N 115.509 -0.769 . . . . 0.0 109.416 -173.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 59.6 m -110.95 144.45 40.01 Favored 'General case' 0 C--N 1.285 -2.237 0 C-N-CA 119.725 -0.79 . . . . 0.0 109.678 179.702 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 7.1 m -145.7 130.14 17.79 Favored 'General case' 0 N--CA 1.43 -1.436 0 N-CA-C 107.972 -1.122 . . . . 0.0 107.972 179.085 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 4.0 tpm_? . . . . . 0 N--CA 1.486 1.37 0 C-N-CA 125.281 1.432 . . . . 0.0 111.354 -179.292 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.439 -1.145 0 N-CA-C 112.855 -0.098 . . . . 0.0 112.855 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -131.66 136.17 47.48 Favored 'General case' 0 C--N 1.317 -0.813 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 -179.313 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 37.6 m -95.58 141.45 29.08 Favored 'General case' 0 C--N 1.29 -1.996 0 C-N-CA 119.546 -0.862 . . . . 0.0 112.24 -177.198 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 9.2 ptt180 -131.26 163.83 26.92 Favored 'General case' 0 C--N 1.299 -1.598 0 N-CA-C 107.992 -1.114 . . . . 0.0 107.992 178.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . . . . . . . . . 65.3 m -122.65 147.58 46.28 Favored 'General case' 0 C--N 1.296 -1.758 0 C-N-CA 119.91 -0.716 . . . . 0.0 111.0 -178.439 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -149.85 162.19 40.79 Favored 'General case' 0 C--N 1.3 -1.582 0 CA-C-N 115.216 -0.902 . . . . 0.0 108.628 -176.646 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 13.9 m -123.09 142.81 50.47 Favored 'General case' 0 C--N 1.281 -2.395 0 N-CA-C 108.295 -1.002 . . . . 0.0 108.295 178.368 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 11.0 tpt180 -158.46 144.61 17.07 Favored 'General case' 0 C--N 1.285 -2.229 0 N-CA-C 106.869 -1.53 . . . . 0.0 106.869 -175.558 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.9 ttt180 64.31 19.32 11.74 Favored 'General case' 0 CA--C 1.553 1.079 0 CA-C-O 122.353 1.073 . . . . 0.0 110.118 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 82.81 8.82 85.38 Favored Glycine 0 N--CA 1.443 -0.851 0 CA-C-N 115.759 -0.655 . . . . 0.0 113.144 -179.614 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 13.4 p -125.7 141.17 46.29 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 CA-C-N 117.631 0.716 . . . . 0.0 109.323 179.19 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.407 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 72.4 m -94.66 131.3 40.59 Favored 'General case' 0 C--N 1.305 -1.33 0 CA-C-O 121.292 0.568 . . . . 0.0 110.902 178.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 13.9 ptm180 -139.79 164.59 29.55 Favored 'General case' 0 C--N 1.3 -1.555 0 CA-C-N 115.175 -0.921 . . . . 0.0 109.415 -173.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 70.1 m -123.42 131.35 53.62 Favored 'General case' 0 C--N 1.288 -2.072 0 C-N-CA 120.249 -0.581 . . . . 0.0 110.739 179.791 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 69.9 mt -121.04 141.85 39.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 N-CA-C 108.375 -0.972 . . . . 0.0 108.375 -178.365 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.478 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 69.5 m -105.04 136.8 43.85 Favored 'General case' 0 C--N 1.29 -2.021 0 C-N-CA 120.804 -0.358 . . . . 0.0 110.921 -178.71 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 21.1 m -150.48 137.7 19.46 Favored 'General case' 0 N--CA 1.439 -1.019 0 CA-C-O 121.362 0.601 . . . . 0.0 109.871 179.28 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 43.7 ttt180 . . . . . 0 N--CA 1.483 1.194 0 C-N-CA 126.304 1.842 . . . . 0.0 112.529 175.546 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.444 -0.802 0 N-CA-C 112.663 -0.175 . . . . 0.0 112.663 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 9.0 t70 -132.61 132.27 42.31 Favored 'General case' 0 C--N 1.301 -1.51 0 N-CA-C 110.001 -0.37 . . . . 0.0 110.001 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 85.9 m -90.44 133.44 35.03 Favored 'General case' 0 N--CA 1.425 -1.723 0 CA-C-O 122.017 0.913 . . . . 0.0 111.006 178.202 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 78.8 ttt180 -135.91 126.49 27.05 Favored 'General case' 0 C--N 1.264 -3.109 0 CA-C-N 114.094 -1.412 . . . . 0.0 110.017 -173.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 60.4 m -95.74 138.01 33.99 Favored 'General case' 0 C--N 1.287 -2.152 0 C-N-CA 119.741 -0.783 . . . . 0.0 109.314 175.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 47.6 tp -129.39 135.8 49.16 Favored 'General case' 0 C--N 1.274 -2.675 0 N-CA-C 107.78 -1.193 . . . . 0.0 107.78 -177.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 7.6 m -119.99 139.23 52.8 Favored 'General case' 0 C--N 1.288 -2.098 0 C-N-CA 119.67 -0.812 . . . . 0.0 109.207 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 59.5 mmt-85 -149.45 137.81 20.75 Favored 'General case' 0 C--N 1.287 -2.114 0 N-CA-C 108.559 -0.904 . . . . 0.0 108.559 -179.397 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 39.6 ttm180 59.72 29.33 18.89 Favored 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.521 1.128 . . . . 0.0 111.691 173.535 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.14 11.43 67.25 Favored Glycine 0 N--CA 1.438 -1.22 0 CA-C-N 115.378 -0.828 . . . . 0.0 113.953 177.592 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 11.2 p -132.51 129.64 59.18 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.841 0 CA-C-N 118.411 1.106 . . . . 0.0 111.284 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 81.3 m -94.8 127.37 40.75 Favored 'General case' 0 CA--C 1.497 -1.096 0 CA-C-O 121.474 0.654 . . . . 0.0 110.809 178.005 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 73.2 ttt180 -122.78 143.89 49.54 Favored 'General case' 0 C--N 1.287 -2.12 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 -179.646 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.436 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 83.5 m -115.14 123.78 49.8 Favored 'General case' 0 C--N 1.302 -1.481 0 C-N-CA 120.168 -0.613 . . . . 0.0 111.683 -179.129 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.3 tp -127.21 154.19 37.21 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.81 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 -178.125 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.449 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 47.4 m -118.87 128.36 54.37 Favored 'General case' 0 C--N 1.304 -1.382 0 C-N-CA 119.76 -0.776 . . . . 0.0 110.305 178.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.1 t -142.78 139.42 30.99 Favored 'General case' 0 N--CA 1.417 -2.081 0 CA-C-O 121.324 0.583 . . . . 0.0 110.293 -179.611 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 36.6 ttm180 . . . . . 0 C--N 1.321 -0.65 0 CA-C-O 123.509 1.623 . . . . 0.0 111.573 176.33 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.435 -1.428 0 N-CA-C 111.352 -0.699 . . . . 0.0 111.352 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -122.18 151.29 41.15 Favored 'General case' 0 C--N 1.306 -1.312 0 N-CA-C 107.063 -1.458 . . . . 0.0 107.063 179.455 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 10.3 t -131.91 163.03 29.22 Favored 'General case' 0 C--N 1.277 -2.571 0 C-N-CA 117.532 -1.667 . . . . 0.0 111.408 -176.761 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -147.14 126.01 12.73 Favored 'General case' 0 C--N 1.268 -2.95 0 CA-C-N 113.572 -1.649 . . . . 0.0 109.389 178.106 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 61.9 m -105.78 140.46 38.79 Favored 'General case' 0 C--N 1.296 -1.756 0 C-N-CA 120.063 -0.655 . . . . 0.0 110.724 178.462 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -143.1 159.17 42.77 Favored 'General case' 0 C--N 1.289 -2.038 0 CA-C-N 115.025 -0.989 . . . . 0.0 109.081 -178.56 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . . . . . . . . . 35.1 m -130.3 155.28 46.59 Favored 'General case' 0 C--N 1.296 -1.741 0 C-N-CA 120.273 -0.571 . . . . 0.0 109.523 -179.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 47.8 ttp180 -151.99 119.22 5.92 Favored 'General case' 0 C--N 1.305 -1.353 0 N-CA-C 109.119 -0.697 . . . . 0.0 109.119 178.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 ttm180 59.61 27.07 16.21 Favored 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 124.714 1.205 . . . . 0.0 112.335 175.116 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 101.86 -7.37 55.17 Favored Glycine 0 C--N 1.311 -0.838 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.813 178.547 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 61.5 t -102.68 116.85 47.13 Favored 'Isoleucine or valine' 0 N--CA 1.436 -1.156 0 N-CA-C 108.327 -0.99 . . . . 0.0 108.327 -179.185 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.6 m -100.05 128.44 46.13 Favored 'General case' 0 C--N 1.305 -1.367 0 CA-C-O 121.304 0.573 . . . . 0.0 110.436 177.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 37.8 ttm180 -132.33 141.72 49.05 Favored 'General case' 0 C--N 1.285 -2.199 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.928 -176.049 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.426 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 73.2 m -109.11 126.63 53.4 Favored 'General case' 0 C--N 1.291 -1.974 0 C-N-CA 120.67 -0.412 . . . . 0.0 110.546 178.471 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 48.0 mm -104.96 106.6 20.78 Favored 'Isoleucine or valine' 0 C--N 1.298 -1.67 0 N-CA-C 107.284 -1.376 . . . . 0.0 107.284 177.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.42 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 48.6 m -108.74 130.7 55.37 Favored 'General case' 0 C--N 1.295 -1.761 0 N-CA-C 108.535 -0.913 . . . . 0.0 108.535 -179.151 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 9.4 m -156.57 146.39 20.95 Favored 'General case' 0 C--N 1.317 -0.821 0 N-CA-C 107.406 -1.331 . . . . 0.0 107.406 179.531 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 23.3 ttt180 . . . . . 0 N--CA 1.5 2.068 0 CA-C-O 123.132 1.444 . . . . 0.0 111.287 176.245 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.433 -1.521 0 CA-C-O 120.309 -0.162 . . . . 0.0 113.445 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -120.56 161.17 21.78 Favored 'General case' 0 C--N 1.313 -0.981 0 N-CA-C 107.374 -1.343 . . . . 0.0 107.374 -179.846 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 16' ' ' CYS . 48.4 m -111.93 137.45 49.9 Favored 'General case' 0 C--N 1.297 -1.699 0 C-N-CA 119.531 -0.868 . . . . 0.0 112.676 -174.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ARG . . . . . . . . . . . . . 13.5 ttp85 -140.09 140.57 36.12 Favored 'General case' 0 C--N 1.29 -1.979 0 CA-C-N 114.193 -1.367 . . . . 0.0 109.451 -175.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 14' ' ' CYS . 32.2 m -95.21 147.72 23.16 Favored 'General case' 0 C--N 1.299 -1.629 0 N-CA-C 112.635 0.606 . . . . 0.0 112.635 -174.497 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 58.2 tp -149.99 153.16 36.08 Favored 'General case' 0 C--N 1.315 -0.926 0 N-CA-C 107.073 -1.455 . . . . 0.0 107.073 -177.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 12' ' ' CYS . 6.5 m -102.59 147.65 26.53 Favored 'General case' 0 C--N 1.3 -1.561 0 C-N-CA 118.551 -1.26 . . . . 0.0 111.536 -178.222 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ARG . . . . . . . . . . . . . 12.9 mmm180 -135.39 120.22 18.47 Favored 'General case' 0 C--N 1.312 -1.029 0 N-CA-C 107.135 -1.432 . . . . 0.0 107.135 -178.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 20.1 tpt180 59.85 26.64 15.86 Favored 'General case' 0 CA--C 1.562 1.424 0 CA-C-O 122.251 1.024 . . . . 0.0 111.609 176.103 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 88.85 4.77 74.98 Favored Glycine 0 N--CA 1.441 -1.014 0 C-N-CA 120.216 -0.993 . . . . 0.0 113.545 178.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' VAL . . . . . . . . . . . . . 8.1 p -120.68 130.89 74.06 Favored 'Isoleucine or valine' 0 C--N 1.311 -1.075 0 N-CA-C 108.671 -0.862 . . . . 0.0 108.671 175.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.505 ' HA ' ' HA ' ' A' ' 7' ' ' CYS . 39.1 m -90.81 124.83 35.45 Favored 'General case' 0 C--N 1.294 -1.847 0 CA-C-O 121.932 0.872 . . . . 0.0 111.889 -175.512 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 98.2 mtt180 -126.18 164.49 20.83 Favored 'General case' 0 C--N 1.303 -1.414 0 CA-C-N 114.143 -1.39 . . . . 0.0 108.633 -174.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.47 ' HA ' ' HA ' ' A' ' 5' ' ' CYS . 58.3 m -117.0 123.36 46.7 Favored 'General case' 0 C--N 1.291 -1.972 0 C-N-CA 118.966 -1.094 . . . . 0.0 112.17 -177.688 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ILE . . . . . . . . . . . . . 9.5 tp -110.17 152.67 12.12 Favored 'Isoleucine or valine' 0 C--N 1.312 -1.024 0 N-CA-C 107.982 -1.118 . . . . 0.0 107.982 -176.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' CYS . . . . . 0.43 ' HA ' ' HA ' ' A' ' 3' ' ' CYS . 43.2 m -115.87 133.8 55.65 Favored 'General case' 0 C--N 1.292 -1.92 0 C-N-CA 118.853 -1.139 . . . . 0.0 110.441 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 23.9 m -142.94 139.85 30.88 Favored 'General case' 0 N--CA 1.436 -1.172 0 N-CA-C 108.452 -0.944 . . . . 0.0 108.452 -177.544 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 20.8 ttm180 . . . . . 0 N--CA 1.489 1.488 0 C-N-CA 125.071 1.348 . . . . 0.0 110.581 179.534 . . . . . . . . 0 0 . 1 stop_ save_