data_2k3q_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 2k3q _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.338 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 . . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -136.61 -46.99 0.61 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.49 1.516 . . . . 0.0 112.108 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.0 tp60 -68.8 -32.79 72.76 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.353 -0.842 . . . . 0.0 110.574 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -58.56 -25.33 62.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.599 1.159 . . . . 0.0 112.437 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.95 -38.0 46.26 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.465 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -35.67 79.06 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.155 0.582 . . . . 0.0 111.568 168.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -65.21 -39.9 93.41 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.587 -0.696 . . . . 0.0 111.48 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -38.55 83.41 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.037 176.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.98 75.1 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.082 0.856 . . . . 0.0 111.484 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -34.65 78.13 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.93 . . . . 0.0 113.363 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.89 -33.63 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.708 0.803 . . . . 0.0 112.693 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.5 mt -69.78 -37.34 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.432 -0.792 . . . . 0.0 109.381 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -40.65 72.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.882 1.219 . . . . 0.0 112.048 169.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -60.37 -21.91 62.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 170.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.34 -54.51 4.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.248 1.019 . . . . 0.0 111.857 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -67.93 -38.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.025 -1.047 . . . . 0.0 113.361 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -78.75 -6.63 56.4 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.198 0.999 . . . . 0.0 112.098 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -62.47 -23.66 67.02 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.392 -1.443 . . . . 0.0 112.99 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.47 7.21 14.93 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.826 1.25 . . . . 0.0 113.431 170.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.327 10.1 p 68.85 16.07 8.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 129.908 3.283 . . . . 0.0 115.236 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -71.11 107.5 4.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.465 1.506 . . . . 0.0 112.999 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -67.35 -39.99 85.79 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.416 -1.427 . . . . 0.0 111.889 170.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.5 m -62.74 -22.74 66.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.64 -21.91 63.25 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.342 1.057 . . . . 0.0 113.311 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -68.08 -22.89 64.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.385 -0.822 . . . . 0.0 113.062 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.86 73.36 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.637 -1.289 . . . . 0.0 111.957 167.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.9 mmt-85 -66.93 -18.33 65.33 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.5 -40.2 62.13 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.525 1.057 . . . . 0.0 112.402 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -68.31 -29.02 67.68 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.357 1.063 . . . . 0.0 112.768 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.4 -39.98 37.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.853 0.861 . . . . 0.0 111.899 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.29 -37.16 64.45 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.757 1.223 . . . . 0.0 111.59 169.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 m -57.04 -23.12 44.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -27.49 62.73 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.643 -1.286 . . . . 0.0 112.864 172.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.89 86.13 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.957 -1.089 . . . . 0.0 111.437 169.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -43.91 72.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.727 1.211 . . . . 0.0 111.562 173.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.34 72.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -39.4 61.38 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.716 0.807 . . . . 0.0 112.519 175.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.8 m -60.34 -39.63 87.8 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.89 -1.131 . . . . 0.0 112.522 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.94 -50.12 74.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.588 1.555 . . . . 0.0 111.33 167.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.12 69.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -22.89 67.09 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -33.56 74.18 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.9 1.227 . . . . 0.0 112.161 171.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 124.659 1.184 . . . . 0.0 112.915 177.391 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -52.19 -40.57 61.69 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.474 -1.392 . . . . 0.0 113.534 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -63.46 -47.29 82.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.193 0.906 . . . . 0.0 112.215 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -44.66 77.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.826 0.85 . . . . 0.0 111.282 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -62.14 -45.6 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.862 0.865 . . . . 0.0 111.417 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -62.3 -48.13 81.24 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.917 0.887 . . . . 0.0 112.496 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -50.68 72.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.66 -0.65 . . . . 0.0 111.798 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.66 -41.36 96.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.672 -1.156 . . . . 0.0 111.478 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.9 m -51.8 -41.07 61.42 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.581 1.152 . . . . 0.0 111.311 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -74.49 -32.36 62.51 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.361 1.064 . . . . 0.0 113.234 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.02 -33.54 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 120.234 -1.541 . . . . 0.0 111.674 168.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.72 -42.08 97.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.438 1.017 . . . . 0.0 110.451 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -56.24 -46.57 79.52 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.437 -0.789 . . . . 0.0 112.422 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -66.82 -3.06 5.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 t -67.25 -33.05 74.5 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.347 -1.471 . . . . 0.0 112.228 166.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -34.64 10.16 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -168.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t 41.01 69.56 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 127.041 2.136 . . . . 0.0 112.708 174.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 t -152.94 -56.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 t -151.45 9.9 0.56 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.852 1.261 . . . . 0.0 112.136 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.82 16.73 0.65 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.326 2.25 . . . . 0.0 114.978 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.92 60.64 6.26 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.422 1.011 . . . . 0.0 113.367 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 m -58.82 10.92 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -174.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -148.43 128.24 13.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.719 2.408 . . . . 0.0 108.049 166.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 34.78 63.51 1.96 Allowed Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 126.848 2.059 . . . . 0.0 114.627 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 168.53 15.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.783 2.322 . . . . 0.0 113.08 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.16 -29.96 15.31 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.805 168.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.65 -42.83 67.07 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.714 1.143 . . . . 0.0 112.819 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.1 -40.87 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.743 0.817 . . . . 0.0 110.728 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -62.5 -39.74 94.47 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.674 -0.641 . . . . 0.0 111.904 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -60.76 -49.99 75.25 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 117.414 -1.279 . . . . 0.0 111.28 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.3 m -60.73 -39.09 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 120.171 1.35 . . . . 0.0 111.929 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.67 90.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.974 1.261 . . . . 0.0 113.058 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.5 m -78.12 -46.82 19.67 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.392 0.542 . . . . 0.0 112.26 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -31.66 72.46 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.413 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.24 -35.02 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 120.737 1.608 . . . . 0.0 110.825 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.67 90.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.567 1.076 . . . . 0.0 112.267 172.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 t -68.17 -43.84 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.712 0.805 . . . . 0.0 111.548 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.99 -42.15 98.83 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.68 1.592 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.1 m -56.6 -39.71 74.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.902 1.228 . . . . 0.0 111.996 171.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -49.06 70.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.142 0.883 . . . . 0.0 111.244 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -62.37 -37.77 86.98 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.484 1.114 . . . . 0.0 113.724 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -71.04 -50.2 36.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.437 1.095 . . . . 0.0 111.038 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.1 m -61.05 -32.24 71.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.078 1.308 . . . . 0.0 112.799 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.74 -45.69 91.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.977 0.911 . . . . 0.0 111.406 168.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.89 72.82 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.4 mm -63.5 -42.8 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.325 0.966 . . . . 0.0 111.789 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 124.494 1.117 . . . . 0.0 112.39 -178.857 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 CA--C 1.551 1.005 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -135.53 -54.36 0.78 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.823 1.249 . . . . 0.0 112.637 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -78.76 -39.26 36.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.783 0.833 . . . . 0.0 109.742 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.47 26.43 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 130.113 3.365 . . . . 0.0 113.261 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -52.95 0.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.631 1.972 . . . . 0.0 109.879 -174.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -75.25 -45.05 42.55 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.608 1.094 . . . . 0.0 110.966 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.59 -40.15 92.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.323 -0.86 . . . . 0.0 111.405 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 tp -69.04 -36.58 77.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.871 -0.518 . . . . 0.0 112.129 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.47 69.85 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 0.0 110.492 171.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.23 94.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.366 0.985 . . . . 0.0 112.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.8 p -76.54 -34.1 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.362 -0.836 . . . . 0.0 112.588 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.78 -40.61 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.442 -0.786 . . . . 0.0 110.335 168.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.45 -48.06 75.07 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.483 1.038 . . . . 0.0 111.527 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -56.19 -42.69 77.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.182 0.901 . . . . 0.0 112.834 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.82 70.18 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -71.43 -42.08 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 120.863 -1.148 . . . . 0.0 111.93 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.8 p -78.75 -10.04 59.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.487 1.115 . . . . 0.0 113.98 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -15.07 7.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.94 1.296 . . . . 0.0 113.907 169.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -110.49 20.74 17.41 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.033 1.733 . . . . 0.0 112.025 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 5.1 t 55.48 45.43 25.13 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.943 2.497 . . . . 0.0 115.16 176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -121.33 86.05 2.51 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.176 1.39 . . . . 0.0 112.258 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 m -57.96 -41.23 82.42 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 120.869 -1.144 . . . . 0.0 113.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -59.67 -24.45 63.92 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.543 1.137 . . . . 0.0 113.715 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -67.31 -25.04 65.83 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.626 1.57 . . . . 0.0 112.791 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -68.67 -35.47 77.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.947 0.899 . . . . 0.0 112.245 168.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.43 73.62 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.899 -1.126 . . . . 0.0 112.057 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -63.7 -38.89 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.355 -0.84 . . . . 0.0 111.635 168.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.05 -15.43 32.36 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -65.0 -25.05 67.69 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.93 -1.106 . . . . 0.0 112.901 167.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.35 -33.03 63.01 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.984 -1.072 . . . . 0.0 112.809 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -38.23 66.23 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.795 0.838 . . . . 0.0 110.789 168.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.1 m -58.99 -26.51 64.55 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.679 -1.263 . . . . 0.0 114.297 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.08 74.98 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.431 1.014 . . . . 0.0 112.01 173.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.53 94.97 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.693 -0.629 . . . . 0.0 110.696 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.01 -32.48 69.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.846 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.78 94.58 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.469 -0.769 . . . . 0.0 112.221 167.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -63.83 -38.38 90.87 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.278 -0.889 . . . . 0.0 112.122 170.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.9 m -58.98 -30.41 67.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.047 -1.033 . . . . 0.0 113.548 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -39.27 85.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.115 0.966 . . . . 0.0 111.647 173.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.1 -39.66 48.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.316 0.646 . . . . 0.0 112.009 173.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.84 -35.46 72.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.826 0.85 . . . . 0.0 113.075 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -56.58 -23.31 39.65 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.448 1.899 . . . . 0.0 114.403 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 CA--C 1.545 0.772 0 O-C-N 121.191 -0.943 . . . . 0.0 112.676 172.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 p90 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.62 -43.52 84.51 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.602 1.092 . . . . 0.0 111.785 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.8 m -59.92 -40.68 89.66 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.397 -0.815 . . . . 0.0 111.128 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -61.13 -60.13 4.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.29 -31.6 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.812 1.642 . . . . 0.0 113.253 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.0 m -66.12 -43.12 88.05 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.062 1.755 . . . . 0.0 111.736 173.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.17 30.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.434 0.694 . . . . 0.0 111.732 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.86 -38.65 86.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.535 -0.745 . . . . 0.0 112.274 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.8 m -57.65 -51.65 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.15 1.341 . . . . 0.0 111.225 173.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.58 -35.72 78.64 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.266 0.939 . . . . 0.0 112.445 174.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.54 -26.53 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -38.32 84.84 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.495 1.498 . . . . 0.0 112.424 174.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.8 p -86.22 -36.6 19.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.492 1.042 . . . . 0.0 112.839 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.57 -21.19 63.64 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 m -75.23 -36.76 61.3 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.054 -1.029 . . . . 0.0 112.661 167.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -79.23 -38.27 36.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.6 t 64.62 -49.26 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 129.025 2.93 . . . . 0.0 115.164 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.7 p -67.54 143.75 55.97 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.6 m 61.19 -38.4 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.823 2.449 . . . . 0.0 116.673 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -120.67 14.06 11.72 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.138 1.335 . . . . 0.0 113.651 -171.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.28 -1.61 43.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.315 1.436 . . . . 0.0 115.883 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -56.67 110.56 0.81 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.287 1.543 . . . . 0.0 109.864 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -53.72 134.15 41.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.895 0.878 . . . . 0.0 111.794 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 43.68 67.58 3.69 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.349 1.46 . . . . 0.0 112.778 -169.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.19 178.64 5.22 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.44 2.76 . . . . 0.0 111.898 -174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -30.71 16.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -42.77 99.1 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.865 1.666 . . . . 0.0 113.733 171.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 t -70.73 -37.29 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.572 -1.33 . . . . 0.0 111.278 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -65.17 -35.11 80.07 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.264 -0.897 . . . . 0.0 112.2 169.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -58.52 -49.29 77.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 116.847 -1.549 . . . . 0.0 110.214 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.259 31.1 m -62.49 -39.22 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 121.147 1.794 . . . . 0.0 112.335 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -41.91 90.49 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 120.373 1.442 . . . . 0.0 112.956 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -79.1 -43.96 23.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.93 0.892 . . . . 0.0 112.393 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.45 -36.83 81.96 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.708 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.7 mm -59.59 -36.88 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 120.296 1.407 . . . . 0.0 110.633 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.47 81.22 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.369 0.986 . . . . 0.0 111.65 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.44 -31.09 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.387 1.075 . . . . 0.0 112.671 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -79.76 -46.52 16.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.64 2.376 . . . . 0.0 111.582 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.3 m -61.04 -39.77 91.09 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.118 -0.989 . . . . 0.0 110.76 169.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -66.5 -40.05 89.05 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 117.237 -1.363 . . . . 0.0 113.37 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.0 p -63.67 -36.59 84.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 121.883 2.128 . . . . 0.0 112.038 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.5 m -60.78 -53.53 56.3 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.631 0.772 . . . . 0.0 111.896 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -64.98 -30.23 71.2 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.43 -38.79 71.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.333 1.453 . . . . 0.0 111.262 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.25 -26.88 65.9 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.4 mm -60.45 -44.37 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.234 0.925 . . . . 0.0 111.39 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 172.185 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.328 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 . . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -139.04 -47.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.387 1.075 . . . . 0.0 113.063 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.63 -29.9 70.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.148 1.34 . . . . 0.0 111.356 166.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -57.06 -34.25 68.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.005 0.922 . . . . 0.0 112.343 170.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.32 77.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.198 1.363 . . . . 0.0 112.956 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -40.63 70.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.249 0.619 . . . . 0.0 111.15 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.46 -44.6 86.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.864 -0.523 . . . . 0.0 111.344 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.11 -46.0 82.98 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.74 170.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.57 72.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.807 1.639 . . . . 0.0 112.301 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -63.51 -46.84 84.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.083 1.31 . . . . 0.0 113.107 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -77.02 -31.82 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.85 -49.1 84.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-O 116.85 -1.548 . . . . 0.0 108.526 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -49.55 -49.08 47.74 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.805 1.639 . . . . 0.0 112.139 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -66.58 -4.06 7.78 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.77 -45.11 2.9 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.96 1.704 . . . . 0.0 112.388 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -62.48 -37.1 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.118 1.367 . . . . 0.0 112.151 171.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -95.97 -0.93 50.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.83 1.252 . . . . 0.0 111.962 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -57.76 -33.23 68.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.78 -1.2 . . . . 0.0 113.265 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -78.02 -76.63 0.18 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.047 0.939 . . . . 0.0 110.338 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.7 t 169.19 115.17 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.187 2.595 . . . . 0.0 109.429 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -163.15 -53.78 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.653 0.781 . . . . 0.0 112.767 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 67.0 -39.47 0.36 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.285 2.234 . . . . 0.0 115.457 -176.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.8 m -68.06 -23.05 64.91 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.368 -1.457 . . . . 0.0 112.947 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -53.68 -23.5 11.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.501 1.921 . . . . 0.0 114.176 169.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.91 -35.78 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.119 0.872 . . . . 0.0 113.241 167.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.81 63.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.572 0.749 . . . . 0.0 112.155 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -56.97 -36.08 69.91 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.328 0.967 . . . . 0.0 112.374 173.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -22.49 43.87 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -69.6 -26.47 64.46 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.161 -0.962 . . . . 0.0 112.399 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.11 63.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.336 -0.852 . . . . 0.0 112.255 170.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.22 -42.5 73.42 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 168.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -57.14 -22.01 36.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -32.2 73.31 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.611 1.096 . . . . 0.0 112.71 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -32.08 73.46 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.263 -0.898 . . . . 0.0 112.29 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.92 -37.0 24.8 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.924 1.289 . . . . 0.0 111.195 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.41 93.87 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.589 -0.694 . . . . 0.0 111.372 165.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -63.05 -41.58 99.52 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.026 0.93 . . . . 0.0 112.195 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 t -54.23 -47.1 72.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.705 1.139 . . . . 0.0 112.429 171.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.391 1.076 . . . . 0.0 112.118 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.4 -38.57 55.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -35.86 77.43 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.656 -1.277 . . . . 0.0 113.034 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -28.07 68.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.193 0.997 . . . . 0.0 113.269 172.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 CA--C 1.545 0.758 0 C-N-CA 124.405 1.082 . . . . 0.0 111.879 172.231 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 p90 . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -32.87 74.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 m -60.65 -44.09 96.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.031 0.832 . . . . 0.0 111.552 173.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -35.76 66.81 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.109 175.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.5 mt -58.39 -42.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.887 1.221 . . . . 0.0 110.624 170.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.9 m -58.7 -33.08 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 121.321 1.873 . . . . 0.0 113.254 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.52 -55.42 5.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.27 0.628 . . . . 0.0 111.993 171.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -47.69 84.47 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 124.262 1.025 . . . . 0.0 111.816 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 -34.67 74.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 112.334 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -66.07 -52.01 52.8 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.397 -1.44 . . . . 0.0 111.267 167.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.64 -33.42 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 126.12 1.768 . . . . 0.0 113.729 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -49.99 66.89 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.913 1.685 . . . . 0.0 111.236 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -43.06 48.3 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.28 -17.08 63.3 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 t -56.1 -25.75 46.98 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.865 1.266 . . . . 0.0 113.096 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.68 -29.72 40.88 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t 55.08 170.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 127.415 2.286 . . . . 0.0 112.5 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 m 68.98 5.37 5.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.866 -1.771 . . . . 0.0 114.439 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 t -149.19 -154.33 0.55 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.768 1.627 . . . . 0.0 110.371 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.9 p -41.33 135.1 2.06 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.572 1.549 . . . . 0.0 112.589 165.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.5 -119.46 1.02 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.834 1.207 . . . . 0.0 111.109 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.2 m -65.99 34.94 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.985 2.114 . . . . 0.0 115.123 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -135.98 17.44 3.25 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.268 1.827 . . . . 0.0 112.674 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 m120 40.88 66.79 3.29 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 127.15 2.18 . . . . 0.0 113.994 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -69.08 166.64 26.07 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.186 2.591 . . . . 0.0 113.299 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.12 -34.48 44.6 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.093 0.957 . . . . 0.0 112.534 172.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -57.19 13.87 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.757 1.223 . . . . 0.0 113.146 170.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -34.46 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.44 1.018 . . . . 0.0 111.304 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.7 t -68.21 -44.05 76.66 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.228 1.011 . . . . 0.0 111.998 171.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -55.87 -40.73 73.37 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 117.388 -1.292 . . . . 0.0 111.21 170.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.12 -38.81 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 120.789 1.631 . . . . 0.0 112.423 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -67.4 -47.63 69.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.95 1.25 . . . . 0.0 112.293 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.8 m -64.84 -42.93 94.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.08 0.952 . . . . 0.0 112.187 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -31.37 62.85 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.425 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mm -54.79 -38.89 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 121.655 2.025 . . . . 0.0 111.367 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -49.11 76.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.42 0.554 . . . . 0.0 111.878 171.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.45 -35.63 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.439 1.096 . . . . 0.0 113.031 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -52.08 48.21 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.982 2.113 . . . . 0.0 110.535 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -62.13 -43.09 99.59 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.238 0.472 . . . . 0.0 111.727 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -65.47 -37.4 86.74 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.675 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.9 t -64.11 -41.86 97.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.391 1.45 . . . . 0.0 111.52 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.2 m -60.76 -51.4 69.49 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.798 -0.564 . . . . 0.0 111.853 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.5 m -64.35 -31.04 72.09 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -70.05 -44.34 69.39 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.061 1.345 . . . . 0.0 110.951 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.35 70.94 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.181 0.901 . . . . 0.0 113.41 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.91 -33.25 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.524 1.13 . . . . 0.0 112.643 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -174.845 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -144.09 -57.77 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 111.921 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.65 -27.7 64.99 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.822 1.192 . . . . 0.0 112.053 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -53.81 -44.41 70.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.353 1.861 . . . . 0.0 112.875 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -30.42 71.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.276 0.944 . . . . 0.0 113.05 -175.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.82 -34.36 60.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.517 0.727 . . . . 0.0 111.158 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.37 -45.53 87.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.149 164.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.73 -48.28 66.8 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.599 1.091 . . . . 0.0 110.877 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.8 -45.91 78.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.068 0.849 . . . . 0.0 112.338 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.56 87.48 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.759 1.163 . . . . 0.0 113.542 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -80.64 -35.71 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.14 -0.975 . . . . 0.0 112.527 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.7 -44.04 99.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-O 117.289 -1.339 . . . . 0.0 107.836 170.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -47.23 70.94 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.227 1.376 . . . . 0.0 112.029 173.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -60.3 -38.26 83.08 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.38 -50.92 23.04 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.217 1.007 . . . . 0.0 113.039 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.8 m -65.07 -33.3 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.217 1.407 . . . . 0.0 112.322 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.63 -12.71 47.75 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.185 0.994 . . . . 0.0 112.944 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -14.7 18.32 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.406 1.083 . . . . 0.0 113.416 170.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -101.19 19.64 17.21 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.418 1.887 . . . . 0.0 112.294 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 7.5 t 53.21 51.5 15.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.995 2.518 . . . . 0.0 114.364 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -120.14 76.71 1.19 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.219 1.407 . . . . 0.0 111.779 -174.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 m -58.1 -24.18 57.7 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.551 -1.343 . . . . 0.0 113.39 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -53.58 -26.4 21.48 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.804 -1.185 . . . . 0.0 113.758 171.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -72.2 -24.47 61.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.517 1.127 . . . . 0.0 112.846 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -66.75 -28.79 68.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.915 0.78 . . . . 0.0 113.094 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.52 81.02 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.821 0.737 . . . . 0.0 111.503 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.95 -22.98 67.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.78 -38.6 49.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.147 1.34 . . . . 0.0 112.975 171.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.54 -23.32 63.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.214 1.406 . . . . 0.0 112.765 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.51 -31.58 24.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.686 1.194 . . . . 0.0 112.657 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.87 -33.71 68.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.135 1.334 . . . . 0.0 111.284 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -59.62 -22.14 61.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -31.47 68.95 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.727 -1.233 . . . . 0.0 112.153 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.2 92.95 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.475 -0.765 . . . . 0.0 111.32 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -46.09 68.87 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.506 0.723 . . . . 0.0 112.095 173.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.85 -39.51 77.88 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.524 0.602 . . . . 0.0 111.958 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 m -69.68 -40.71 76.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.118 0.967 . . . . 0.0 112.766 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 m -63.96 -37.64 88.16 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.369 1.068 . . . . 0.0 113.485 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -40.2 81.24 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.744 1.617 . . . . 0.0 111.299 171.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.71 -32.99 64.18 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.635 -0.666 . . . . 0.0 112.559 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -39.18 72.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.189 0.996 . . . . 0.0 111.936 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.65 -21.89 64.8 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 CA--C 1.547 0.835 0 O-C-N 121.181 -0.95 . . . . 0.0 112.718 175.72 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -38.13 4.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.589 1.956 . . . . 0.0 115.025 -175.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -65.9 -49.28 68.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.25 0.932 . . . . 0.0 111.681 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -40.43 73.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.385 1.074 . . . . 0.0 111.929 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mm -65.86 -46.99 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 117.543 -1.218 . . . . 0.0 110.414 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 t -61.26 -42.22 98.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.771 1.623 . . . . 0.0 111.694 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.95 61.88 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.664 -0.648 . . . . 0.0 112.603 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.58 -38.59 91.53 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.065 1.302 . . . . 0.0 111.796 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.6 m -53.77 -45.11 70.53 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.608 1.094 . . . . 0.0 111.432 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -64.45 -38.26 90.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.5 -34.09 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.802 1.637 . . . . 0.0 111.506 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -62.83 -48.14 80.37 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.47 1.032 . . . . 0.0 110.247 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 p -65.26 -49.1 70.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.096 0.559 . . . . 0.0 112.161 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -55.47 -27.4 48.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.358 2.263 . . . . 0.0 114.255 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.12 -40.11 92.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.169 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -72.81 -52.74 13.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.419 0.688 . . . . 0.0 111.661 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.07 145.63 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.685 1.594 . . . . 0.0 109.477 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.3 t -50.59 122.59 7.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.165 0.507 . . . . 0.0 112.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.7 p 41.28 56.7 3.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.054 2.542 . . . . 0.0 116.735 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -34.11 123.39 0.49 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.268 1.827 . . . . 0.0 114.15 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -78.49 0.61 Allowed Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.768 1.175 . . . . 0.0 112.051 -167.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 p -168.93 46.1 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.137 1.375 . . . . 0.0 113.34 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 60.63 21.82 11.68 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.269 1.428 . . . . 0.0 112.725 -171.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -163.54 78.25 1.66 Allowed Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 127.464 2.306 . . . . 0.0 107.878 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -69.01 177.58 4.92 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.44 2.093 . . . . 0.0 110.697 175.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.5 -27.42 4.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 167.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.73 -42.9 63.61 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.693 1.197 . . . . 0.0 112.255 -177.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 t -72.13 -40.77 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.668 1.122 . . . . 0.0 111.171 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -61.42 -41.33 96.98 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.01 0.823 . . . . 0.0 111.116 173.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -61.77 -33.89 74.9 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 116.059 -1.924 . . . . 0.0 112.555 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.2 t -54.06 -45.16 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 122.922 2.601 . . . . 0.0 111.276 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -67.9 -48.03 67.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 121.606 2.003 . . . . 0.0 112.894 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -62.06 -44.64 96.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.606 -0.684 . . . . 0.0 112.081 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.0 -38.27 72.66 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.237 -1.839 . . . . 0.0 111.326 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.47 -39.15 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 122.37 2.35 . . . . 0.0 110.13 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.04 87.65 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.784 0.72 . . . . 0.0 112.708 172.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.61 -46.08 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.893 0.877 . . . . 0.0 112.094 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.63 -45.2 81.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.302 2.241 . . . . 0.0 111.244 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 m -59.67 -48.98 79.52 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.03 0.832 . . . . 0.0 111.985 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -67.33 -32.27 73.12 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.706 173.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 m -67.76 -43.79 79.0 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.048 1.749 . . . . 0.0 112.224 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.6 m -62.83 -48.67 78.06 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.909 0.777 . . . . 0.0 111.086 172.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.9 m -64.21 -34.22 77.59 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.67 -19.58 59.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.142 1.377 . . . . 0.0 112.582 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.57 -31.48 26.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.928 1.24 . . . . 0.0 112.473 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 mm -58.02 -43.33 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.91 1.284 . . . . 0.0 111.708 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.481 1.123 0 C-N-CA 124.804 1.242 . . . . 0.0 113.091 -179.051 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.3 0.3 OUTLIER . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 . . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -147.08 -45.05 0.18 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.055 1.342 . . . . 0.0 113.246 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -94.7 -38.36 10.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.93 0.786 . . . . 0.0 110.743 170.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.11 29.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 128.717 2.807 . . . . 0.0 113.955 172.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 pp -138.05 -37.72 0.58 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.541 1.536 . . . . 0.0 112.672 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.15 -45.54 9.5 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.016 0.825 . . . . 0.0 110.007 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.44 -43.62 96.63 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.048 0.939 . . . . 0.0 110.176 161.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -30.68 67.93 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.27 49.04 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.09 -1.006 . . . . 0.0 110.344 166.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.352 -0.842 . . . . 0.0 113.088 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -80.96 -35.79 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.4 -0.813 . . . . 0.0 112.552 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.46 -39.27 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.666 0.666 . . . . 0.0 109.65 168.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -41.48 96.78 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.337 0.971 . . . . 0.0 111.641 172.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -59.6 -22.95 62.52 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.319 -0.863 . . . . 0.0 113.184 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.3 -57.71 2.83 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.744 1.217 . . . . 0.0 112.079 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.45 -35.03 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 120.653 -1.279 . . . . 0.0 113.51 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -95.01 3.46 54.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.765 1.626 . . . . 0.0 111.332 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -55.61 -30.49 61.0 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.875 -1.141 . . . . 0.0 112.222 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -81.01 -94.11 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.502 1.521 . . . . 0.0 109.564 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -165.73 39.37 0.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.222 1.487 . . . . 0.0 111.965 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.94 56.93 0.64 Allowed 'General case' 0 CA--C 1.547 0.837 0 O-C-N 119.904 -1.748 . . . . 0.0 112.213 -155.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -52.91 -34.34 54.68 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.4 -1.437 . . . . 0.0 114.654 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -63.96 -29.46 70.62 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.769 -1.207 . . . . 0.0 112.98 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -28.47 69.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.951 1.301 . . . . 0.0 112.219 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -62.93 -22.51 66.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.7 70.95 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.732 1.151 . . . . 0.0 112.535 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -14.35 60.4 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.94 68.76 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.326 1.421 . . . . 0.0 111.875 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -72.7 -22.45 60.89 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.506 1.122 . . . . 0.0 113.129 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.53 38.14 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.955 -1.091 . . . . 0.0 112.126 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.63 -34.66 69.55 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.052 -1.03 . . . . 0.0 111.13 165.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -61.98 -25.42 67.61 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -34.54 65.31 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.69 1.132 . . . . 0.0 112.145 173.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.14 42.05 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.63 -0.669 . . . . 0.0 111.873 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.57 -30.34 71.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.43 68.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.922 0.783 . . . . 0.0 112.282 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -59.59 -40.19 86.62 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.464 -0.772 . . . . 0.0 110.766 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -63.72 -21.49 66.43 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.41 75.29 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.269 1.395 . . . . 0.0 111.186 170.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.4 27.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 112.622 171.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -69.99 -16.61 63.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.778 -1.201 . . . . 0.0 113.645 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.2 -32.25 72.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.296 1.438 . . . . 0.0 111.94 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 123.951 0.901 . . . . 0.0 113.158 177.112 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -65.62 -36.82 84.83 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.889 . . . . 0.0 112.827 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -60.94 -42.84 98.99 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.604 -0.685 . . . . 0.0 110.774 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.19 -56.72 12.77 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.676 -1.155 . . . . 0.0 111.983 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 pt -62.51 -30.36 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.297 1.862 . . . . 0.0 112.747 -175.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.7 t -70.66 -44.12 67.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.086 0.954 . . . . 0.0 112.003 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.85 -50.46 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.205 -0.934 . . . . 0.0 111.267 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -48.55 76.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.349 1.459 . . . . 0.0 112.055 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -61.76 -31.76 71.98 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.507 1.503 . . . . 0.0 113.11 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -75.46 -35.87 60.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.06 -1.025 . . . . 0.0 112.714 169.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.99 -30.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.837 1.255 . . . . 0.0 111.512 170.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -56.57 -41.85 77.6 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.362 1.437 . . . . 0.0 111.166 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -46.53 85.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 111.763 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 -10.86 59.9 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.064 1.346 . . . . 0.0 114.089 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.0 m -81.16 -23.39 38.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.549 1.54 . . . . 0.0 112.638 168.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -35.42 10.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.484 0.714 . . . . 0.0 112.425 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t 55.38 61.46 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.991 1.716 . . . . 0.0 112.594 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.9 p -140.28 -168.52 2.56 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.4 1.88 . . . . 0.0 110.964 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.0 m -44.86 -37.02 3.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.02 1.728 . . . . 0.0 113.204 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -85.73 50.1 1.9 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.29 1.836 . . . . 0.0 112.653 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.14 83.91 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.891 0.758 . . . . 0.0 114.22 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 t -145.36 47.87 1.28 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.642 1.177 . . . . 0.0 112.529 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.0 t30 62.28 107.75 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 128.286 2.634 . . . . 0.0 114.059 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 54.6 73.43 0.89 Allowed Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.265 1.426 . . . . 0.0 111.83 -166.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -65.16 -178.97 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.602 2.868 . . . . 0.0 111.78 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.82 -33.46 4.48 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.818 0.847 . . . . 0.0 113.122 169.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.41 -39.6 81.58 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.162 0.892 . . . . 0.0 113.322 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.12 -41.99 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.86 0.864 . . . . 0.0 110.659 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.19 94.83 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.93 -0.481 . . . . 0.0 111.277 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -63.21 -34.97 78.8 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.868 -1.539 . . . . 0.0 111.593 168.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.07 -41.8 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 121.222 1.828 . . . . 0.0 111.687 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.07 -44.06 81.06 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.203 1.365 . . . . 0.0 112.45 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -62.13 -50.08 73.3 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.152 0.981 . . . . 0.0 112.384 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 pp -70.54 -32.89 70.5 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.583 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.0 mm -61.48 -37.24 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.782 1.628 . . . . 0.0 110.501 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.7 76.58 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.699 1.136 . . . . 0.0 111.712 172.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.89 -39.74 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 O-C-N 121.531 -0.731 . . . . 0.0 112.236 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.33 -40.28 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.198 1.799 . . . . 0.0 111.947 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 m -62.68 -39.16 93.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.821 1.191 . . . . 0.0 112.056 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -64.13 -48.97 74.02 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.419 -0.8 . . . . 0.0 110.761 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.6 m -61.18 -42.52 98.72 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.322 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.6 p -70.08 -49.13 54.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.108 0.867 . . . . 0.0 110.955 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -58.71 -33.96 70.77 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.642 1.11 . . . . 0.0 112.979 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.03 -50.27 62.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.54 -25.23 67.93 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.1 mm -52.56 -32.8 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.558 1.143 . . . . 0.0 112.33 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.7 p . . . . . 0 N--CA 1.478 0.971 0 C-N-CA 124.284 1.034 . . . . 0.0 113.729 -177.992 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 . . . . . 0 CA--C 1.552 1.048 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -140.71 -43.59 0.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.713 1.205 . . . . 0.0 113.822 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -77.65 -31.29 52.6 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.35 -0.843 . . . . 0.0 110.509 167.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.18 -40.1 70.32 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.662 1.185 . . . . 0.0 112.23 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.34 -29.09 68.66 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.91 -38.23 72.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.836 0.855 . . . . 0.0 111.261 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -77.44 -35.41 53.99 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.972 0.909 . . . . 0.0 111.934 171.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -37.44 87.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 125.367 1.467 . . . . 0.0 110.955 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.39 -49.01 73.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.488 167.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.83 -39.12 80.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 121.198 1.817 . . . . 0.0 113.798 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.07 -32.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.58 -42.84 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.708 1.14 . . . . 0.0 110.101 168.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -56.92 -46.48 81.98 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.826 1.65 . . . . 0.0 110.936 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 m -58.5 -43.64 89.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.1 0.864 . . . . 0.0 112.591 172.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.89 67.14 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.87 0.759 . . . . 0.0 111.733 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 m -70.99 -39.38 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.324 -0.86 . . . . 0.0 113.26 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -10.91 59.71 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.513 -0.742 . . . . 0.0 112.833 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -18.06 50.37 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.738 -1.226 . . . . 0.0 113.5 166.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -94.63 14.85 19.7 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.033 1.333 . . . . 0.0 112.896 169.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.351 7.9 p 74.15 24.71 1.9 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 130.051 3.34 . . . . 0.0 115.719 175.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -97.63 64.3 1.79 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -166.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -55.8 -37.69 68.96 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -61.31 -29.97 70.21 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.032 -1.042 . . . . 0.0 112.615 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -67.98 -21.88 65.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -59.35 -27.19 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 169.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.51 92.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.143 0.883 . . . . 0.0 111.846 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -62.19 -37.93 87.18 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 0.0 112.121 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.08 -17.81 63.77 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.566 1.075 . . . . 0.0 113.771 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -69.24 -25.81 64.47 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.763 -1.211 . . . . 0.0 112.819 166.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.31 56.22 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.098 -1.001 . . . . 0.0 112.468 169.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -34.73 62.61 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.768 1.167 . . . . 0.0 111.789 166.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -61.63 -22.75 65.53 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -31.6 70.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.822 1.192 . . . . 0.0 112.644 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.36 -34.92 25.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.52 0.728 . . . . 0.0 111.593 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.9 -22.87 67.07 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 167.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.26 73.83 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.609 -1.307 . . . . 0.0 112.074 168.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -62.49 -34.17 76.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.211 -0.931 . . . . 0.0 111.785 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -61.7 -33.57 74.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.155 0.889 . . . . 0.0 113.027 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.85 92.82 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.078 0.854 . . . . 0.0 111.608 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.27 45.28 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.878 0.871 . . . . 0.0 112.394 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.26 -36.32 83.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.378 1.071 . . . . 0.0 112.784 175.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.24 -26.82 30.88 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.772 1.629 . . . . 0.0 114.111 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 CA--C 1.552 1.024 0 C-N-CA 124.517 1.127 . . . . 0.0 113.477 171.147 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -55.96 -33.81 65.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.541 -1.35 . . . . 0.0 112.326 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 m -59.02 -48.86 80.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 111.592 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.04 -36.3 48.68 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.08 0.855 . . . . 0.0 112.903 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.75 -50.43 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.254 1.388 . . . . 0.0 110.604 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -65.39 -48.83 71.52 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.0 0.52 . . . . 0.0 111.681 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.62 68.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.365 0.666 . . . . 0.0 112.4 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.86 -43.92 97.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 117.454 -1.26 . . . . 0.0 110.838 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.8 m -53.46 -42.75 67.5 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.552 1.069 . . . . 0.0 111.746 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.34 -32.28 69.93 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.56 -32.09 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.498 1.119 . . . . 0.0 111.106 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.43 -42.98 99.85 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.299 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -52.34 63.06 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.275 -1.515 . . . . 0.0 111.398 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -13.92 22.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.96 -39.63 49.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.989 0.916 . . . . 0.0 112.787 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.91 -0.494 . . . . 0.0 111.785 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 t 65.95 165.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.018 1.727 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 m 64.74 -176.68 0.17 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.012 1.325 . . . . 0.0 111.1 -175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 73' ' ' THR . 3.7 t 25.99 -91.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.492 2.717 . . . . 0.0 115.356 169.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' THR . . . . . 0.519 ' H ' HG23 ' A' ' 72' ' ' THR . 27.0 p -75.96 95.34 3.54 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.964 1.705 . . . . 0.0 111.147 169.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.95 -147.58 4.87 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 126.038 1.78 . . . . 0.0 111.16 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.38 45.32 0.1 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.615 1.566 . . . . 0.0 114.089 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.17 35.19 1.91 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.136 1.774 . . . . 0.0 112.212 -170.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.04 68.12 3.82 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.861 1.664 . . . . 0.0 112.991 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.14 175.52 6.55 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.373 2.715 . . . . 0.0 112.929 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.96 -22.12 3.65 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 117.74 -1.124 . . . . 0.0 113.69 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.29 -49.13 15.68 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.417 1.917 . . . . 0.0 112.079 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.1 -35.75 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.645 0.778 . . . . 0.0 111.02 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -69.88 -39.79 76.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.432 -0.793 . . . . 0.0 112.466 172.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -47.62 84.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.821 -1.562 . . . . 0.0 110.72 174.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.25 27.0 m -58.86 -26.57 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 121.228 1.831 . . . . 0.0 113.745 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -65.1 -44.27 89.39 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 121.177 1.808 . . . . 0.0 112.753 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.66 -38.53 25.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.656 -0.652 . . . . 0.0 112.378 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -45.51 87.05 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 117.239 -1.362 . . . . 0.0 111.193 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.5 mm -60.76 -37.9 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 121.044 1.747 . . . . 0.0 110.294 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -53.52 54.57 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 118.843 0.747 . . . . 0.0 112.056 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.9 t -65.2 -30.86 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.417 -0.802 . . . . 0.0 112.569 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.88 -47.86 56.92 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.091 2.156 . . . . 0.0 111.351 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 m -59.62 -40.87 89.0 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.253 -0.905 . . . . 0.0 111.426 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.96 -40.44 78.89 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.081 -0.961 . . . . 0.0 113.336 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.3 p -66.1 -33.64 76.25 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.849 1.659 . . . . 0.0 112.146 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -59.65 -55.85 29.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.519 0.728 . . . . 0.0 111.66 167.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.3 m -61.48 -32.2 72.2 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.833 1.197 . . . . 0.0 113.915 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -68.1 -43.73 77.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.5 1.52 . . . . 0.0 111.563 174.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.67 60.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 mm -64.29 -14.62 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.188 1.795 . . . . 0.0 112.193 167.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.48 1.045 0 C-N-CA 127.476 2.31 . . . . 0.0 113.167 176.365 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -145.41 -54.33 0.29 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.071 0.949 . . . . 0.0 112.801 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.62 -35.02 79.18 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.509 1.05 . . . . 0.0 110.447 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.27 -23.6 67.08 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.508 -1.235 . . . . 0.0 113.108 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -37.2 74.48 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.285 1.857 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -42.47 54.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.87 0.868 . . . . 0.0 112.084 -176.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -64.59 -47.42 78.72 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.278 0.631 . . . . 0.0 110.791 171.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.71 -34.89 79.25 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.165 0.986 . . . . 0.0 112.1 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.86 -54.81 42.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.367 0.985 . . . . 0.0 110.377 169.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.97 85.09 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.074 -1.016 . . . . 0.0 112.411 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -39.95 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.597 1.159 . . . . 0.0 112.92 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -71.66 -38.33 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.8 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -32.23 70.43 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.668 1.122 . . . . 0.0 111.705 175.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 m -59.45 -15.65 18.67 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 169.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.28 -58.14 2.18 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.429 1.892 . . . . 0.0 110.575 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 3.5 t -46.71 -41.03 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 128.424 2.689 . . . . 0.0 112.91 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -104.58 4.9 33.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.332 1.453 . . . . 0.0 112.438 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -60.78 -27.49 68.03 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.039 -1.663 . . . . 0.0 112.816 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -83.2 7.55 15.84 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.606 1.562 . . . . 0.0 113.465 173.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.348 5.9 p 77.3 23.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 129.755 3.222 . . . . 0.0 115.791 174.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.95 87.18 6.82 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.5 m -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.102 -0.999 . . . . 0.0 113.475 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.8 m -70.77 -22.99 62.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 114.032 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.7 mttp -71.06 -21.13 62.28 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.615 -1.303 . . . . 0.0 113.466 171.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -28.32 62.31 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.183 0.901 . . . . 0.0 112.828 171.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.51 81.97 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.272 -0.893 . . . . 0.0 113.014 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.61 -19.91 64.47 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.811 0.844 . . . . 0.0 113.003 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.36 -34.66 58.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.36 0.982 . . . . 0.0 113.113 170.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -72.64 -23.08 60.86 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -31.11 68.09 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.995 -1.065 . . . . 0.0 111.572 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -38.01 78.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.1 -1.0 . . . . 0.0 111.345 169.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 m -59.68 -22.52 62.06 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 172.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -38.5 85.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.96 1.255 . . . . 0.0 111.818 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.16 -49.6 55.34 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.691 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.06 -33.45 74.42 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.121 0.873 . . . . 0.0 112.915 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.71 98.27 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.15 0.886 . . . . 0.0 112.226 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -65.79 -41.06 92.44 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.39 0.676 . . . . 0.0 111.753 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -61.21 -36.79 80.85 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.448 1.499 . . . . 0.0 112.883 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.34 79.79 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.79 1.236 . . . . 0.0 111.314 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.67 54.17 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.69 -19.52 52.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.695 1.198 . . . . 0.0 113.243 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 tp -65.6 -35.16 80.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.227 1.411 . . . . 0.0 111.296 168.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp . . . . . 0 CA--C 1.547 0.842 0 C-N-CA 125.156 1.382 . . . . 0.0 113.999 -175.68 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 p90 . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.44 -34.31 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.305 -1.497 . . . . 0.0 112.592 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.0 m -64.78 -35.46 81.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.672 0.789 . . . . 0.0 111.889 168.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.39 -38.93 91.47 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.145 0.884 . . . . 0.0 111.448 172.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mm -64.81 -43.54 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.552 1.524 . . . . 0.0 111.131 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -62.26 -45.78 91.76 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 118.534 0.606 . . . . 0.0 111.952 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.0 51.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.669 0.788 . . . . 0.0 111.424 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.25 -47.43 79.64 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 117.417 -1.278 . . . . 0.0 111.92 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -60.42 -30.57 69.7 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 122.134 2.243 . . . . 0.0 112.573 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -50.88 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.09 -1.006 . . . . 0.0 112.353 167.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.43 -33.37 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.11 1.323 . . . . 0.0 112.45 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -52.8 -39.42 62.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.627 1.571 . . . . 0.0 111.539 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 m -83.41 -44.96 14.22 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.211 1.004 . . . . 0.0 112.834 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.21 -14.61 61.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.407 1.083 . . . . 0.0 113.541 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -66.57 -27.03 67.41 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.72 1.208 . . . . 0.0 112.678 168.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -34.82 33.65 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.486 1.114 . . . . 0.0 112.205 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t 57.07 37.22 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 125.918 1.687 . . . . 0.0 112.645 -177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m -140.35 94.31 2.73 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.79 -1.194 . . . . 0.0 111.181 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m 65.28 -54.86 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.777 2.831 . . . . 0.0 114.354 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.5 p -70.35 98.72 1.45 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.068 2.147 . . . . 0.0 110.339 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.46 -83.9 0.15 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 125.353 1.454 . . . . 0.0 110.082 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t 45.16 29.56 0.53 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.536 1.935 . . . . 0.0 114.909 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.4 t30 49.65 114.59 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.631 2.372 . . . . 0.0 114.302 -155.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.06 78.6 0.31 Allowed Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 125.672 1.589 . . . . 0.0 112.363 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.92 178.27 4.21 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.627 2.884 . . . . 0.0 112.805 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -37.01 11.07 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.611 -0.68 . . . . 0.0 112.16 168.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -68.09 -26.8 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.289 1.035 . . . . 0.0 113.082 -178.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.24 -45.99 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.434 1.015 . . . . 0.0 110.386 167.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -40.73 97.34 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.847 0.459 . . . . 0.0 111.501 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -57.74 -57.21 13.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.436 1.495 . . . . 0.0 109.975 168.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.4 -39.27 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.123 1.369 . . . . 0.0 113.91 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -39.22 85.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.015 1.28 . . . . 0.0 111.955 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.3 m -82.69 -40.38 20.71 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.285 1.034 . . . . 0.0 112.026 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -29.57 68.96 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.847 -1.158 . . . . 0.0 113.538 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.88 -41.84 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.482 1.492 . . . . 0.0 110.997 168.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.96 85.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.378 0.535 . . . . 0.0 111.566 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.71 -33.84 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.11 -0.994 . . . . 0.0 111.7 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.89 -53.12 55.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.281 1.4 . . . . 0.0 111.457 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -65.5 -39.14 91.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.695 0.68 . . . . 0.0 112.055 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -66.14 -37.91 86.84 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.873 171.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m -60.6 -41.99 95.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.346 1.884 . . . . 0.0 111.9 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.2 m -61.55 -48.29 81.66 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.608 0.64 . . . . 0.0 111.88 172.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.3 m -63.76 -33.04 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -74.83 -26.13 59.49 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.65 1.18 . . . . 0.0 111.24 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.16 60.23 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.415 -1.428 . . . . 0.0 113.503 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.17 -45.2 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.414 1.006 . . . . 0.0 110.627 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.477 0.912 0 C-N-CA 125.389 1.476 . . . . 0.0 111.604 176.255 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -59.5 -26.32 65.19 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -99.12 -33.75 10.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 111.014 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -57.63 -41.23 80.92 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.817 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.01 -30.12 58.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.919 1.236 . . . . 0.0 114.145 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.1 -33.89 24.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.738 0.815 . . . . 0.0 111.146 -177.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.5 -38.34 80.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.438 1.095 . . . . 0.0 111.23 166.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -60.99 -41.15 95.91 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 123.666 0.787 . . . . 0.0 110.667 172.106 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 1.76 0.4 Allowed 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -108.44 -46.86 3.61 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.464 1.484 . . . . 0.0 111.963 168.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 10' ' ' LEU . 11.7 m -68.54 -37.95 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.309 -0.869 . . . . 0.0 111.953 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.42 -47.86 87.65 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.03 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.14 -47.44 68.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.619 1.554 . . . . 0.0 111.451 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 t -57.05 -40.99 77.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.655 0.782 . . . . 0.0 112.652 172.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.24 -53.29 12.97 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.946 1.298 . . . . 0.0 113.885 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.75 -24.69 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.658 1.583 . . . . 0.0 112.761 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.0 m -99.94 -5.8 27.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.786 1.234 . . . . 0.0 111.951 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -26.02 59.88 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.5 -1.375 . . . . 0.0 113.233 171.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -94.87 19.83 9.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.394 2.278 . . . . 0.0 112.757 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.277 4.0 p 66.5 8.88 6.1 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 128.781 2.832 . . . . 0.0 116.02 173.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -79.36 95.82 5.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 112.292 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -57.35 -32.29 66.6 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 120.873 -1.142 . . . . 0.0 112.745 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -69.41 -20.08 63.8 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.937 -1.102 . . . . 0.0 113.384 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -23.76 66.69 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 119.76 -1.837 . . . . 0.0 112.999 172.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.69 71.66 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.902 0.773 . . . . 0.0 112.831 167.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -31.16 71.53 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 112.036 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -30.18 66.72 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 117.942 -1.028 . . . . 0.0 113.041 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.52 -26.76 22.32 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 120.049 1.295 . . . . 0.0 113.864 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -28.97 70.23 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 171.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.73 -28.99 67.32 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.279 1.032 . . . . 0.0 111.859 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -35.15 74.68 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.953 -1.092 . . . . 0.0 110.484 168.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -66.24 -13.5 60.46 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.364 -1.46 . . . . 0.0 114.394 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.39 -29.45 63.76 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.538 -1.351 . . . . 0.0 111.935 168.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.74 98.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.637 -0.664 . . . . 0.0 110.3 170.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.9 -31.74 65.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.136 1.375 . . . . 0.0 112.845 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.96 82.67 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.68 0.673 . . . . 0.0 112.723 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -72.08 -41.53 67.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.378 0.671 . . . . 0.0 111.35 169.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -57.68 -36.31 71.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.738 0.815 . . . . 0.0 113.164 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -44.05 50.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.034 1.334 . . . . 0.0 112.179 171.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.21 -34.04 29.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.657 0.783 . . . . 0.0 112.484 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.39 -27.65 69.45 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.2 -0.938 . . . . 0.0 112.991 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -67.87 -31.64 71.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 112.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.0 tp . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.954 0.902 . . . . 0.0 111.271 170.435 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -49.1 -36.97 20.15 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.698 -1.876 . . . . 0.0 113.601 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.5 m -64.22 -42.9 96.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.474 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -42.64 77.97 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.926 1.239 . . . . 0.0 111.412 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.84 -49.97 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.242 1.383 . . . . 0.0 110.477 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -66.84 -41.39 87.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.428 0.558 . . . . 0.0 112.479 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.17 -52.88 56.86 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 123.75 0.82 . . . . 0.0 111.947 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.96 -42.96 99.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.52 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.0 m -54.0 -46.7 71.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 119.885 1.221 . . . . 0.0 112.538 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.49 -38.53 90.03 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.733 0.697 . . . . 0.0 112.165 173.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.97 -29.42 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.155 1.382 . . . . 0.0 112.105 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.46 -39.94 89.39 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.364 1.438 . . . . 0.0 111.151 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -46.66 51.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.68 1.992 . . . . 0.0 111.38 173.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.96 -14.75 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 114.391 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.0 t -74.39 -29.05 61.38 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.204 1.002 . . . . 0.0 112.65 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.83 -36.53 4.8 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 t 53.89 55.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.06 1.344 . . . . 0.0 112.07 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -112.05 -82.89 0.59 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.176 1.39 . . . . 0.0 112.216 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 m -107.25 24.09 13.4 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.042 2.137 . . . . 0.0 109.834 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 154.4 38.23 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.59 2.356 . . . . 0.0 110.388 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.19 87.4 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.27 1.414 . . . . 0.0 115.369 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.0 p 46.64 32.29 1.64 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.272 2.229 . . . . 0.0 116.346 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -162.58 -46.02 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.373 1.469 . . . . 0.0 110.934 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -154.09 73.67 6.29 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.332 1.853 . . . . 0.0 108.631 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.95 177.51 4.24 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.331 2.02 . . . . 0.0 110.827 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.75 -26.64 4.03 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -75.15 -38.86 60.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.146 0.978 . . . . 0.0 111.762 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -69.76 -47.23 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.703 1.138 . . . . 0.0 110.84 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -40.33 93.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.558 0.617 . . . . 0.0 112.331 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.07 -44.55 97.21 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 116.59 -1.672 . . . . 0.0 110.81 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.0 t -51.49 -35.68 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 121.323 1.874 . . . . 0.0 113.312 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.46 -46.02 88.14 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.94 2.155 . . . . 0.0 112.998 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.7 m -73.84 -44.7 54.81 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.355 -0.841 . . . . 0.0 111.98 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -46.45 89.94 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-O 116.412 -1.756 . . . . 0.0 110.016 176.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mm -59.55 -39.0 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 121.141 1.791 . . . . 0.0 110.339 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.31 88.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.965 1.257 . . . . 0.0 113.073 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.6 t -77.41 -37.85 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 112.425 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -45.26 70.07 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 128.072 2.549 . . . . 0.0 111.3 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.5 p -63.95 -46.91 82.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.848 0.749 . . . . 0.0 110.567 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -68.81 -27.82 66.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.522 -1.227 . . . . 0.0 112.813 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m -68.86 -47.77 65.11 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 121.421 1.919 . . . . 0.0 111.193 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -65.01 -41.29 95.46 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.871 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.1 m -70.07 -32.54 70.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.979 1.263 . . . . 0.0 114.242 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -70.34 -19.99 63.02 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.667 1.187 . . . . 0.0 112.387 168.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.69 -24.74 19.4 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.067 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.3 mt -53.95 -42.3 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.645 1.178 . . . . 0.0 111.371 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.474 0.774 0 CA-C-O 121.932 0.872 . . . . 0.0 112.653 179.044 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.261 10.5 pt-20 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -150.95 -39.42 0.13 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.728 2.011 . . . . 0.0 112.555 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.55 -33.45 75.08 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.197 -0.94 . . . . 0.0 110.659 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -55.47 -47.97 75.26 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.055 -1.45 . . . . 0.0 112.892 172.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -29.1 13.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.521 1.51 . . . . 0.0 113.285 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -67.47 -56.12 10.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.613 1.165 . . . . 0.0 112.376 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -72.63 -39.76 66.97 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.175 -0.953 . . . . 0.0 112.009 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 tp -55.27 -47.84 74.92 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 126.617 1.967 . . . . 0.0 110.37 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.16 82.98 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.078 -0.963 . . . . 0.0 111.773 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.85 -46.24 91.36 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.122 1.783 . . . . 0.0 112.431 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.0 m -75.1 -30.84 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.34 -52.77 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.441 1.096 . . . . 0.0 109.886 167.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mp -55.62 -47.16 77.01 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.601 1.561 . . . . 0.0 110.831 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.9 m -57.63 -33.57 68.41 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.01 -40.68 18.12 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.479 1.036 . . . . 0.0 113.698 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -68.87 -31.92 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.233 -0.917 . . . . 0.0 112.117 173.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -4.24 51.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.65 1.18 . . . . 0.0 113.221 175.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -24.82 65.0 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.786 -1.196 . . . . 0.0 112.593 171.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -89.5 24.89 2.12 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.304 1.842 . . . . 0.0 112.287 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.5 p 59.16 19.11 7.09 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 128.825 2.85 . . . . 0.0 116.081 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.19 -43.36 78.26 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -166.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.8 -44.83 0.06 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.437 2.695 . . . . 0.0 116.812 -170.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.2 m -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.64 -1.288 . . . . 0.0 113.648 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -57.72 -17.26 14.22 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 172.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.6 m -63.74 -18.66 64.27 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.823 1.192 . . . . 0.0 113.712 165.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.65 67.63 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.717 -1.239 . . . . 0.0 112.334 168.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -22.32 66.19 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.12 -0.987 . . . . 0.0 113.112 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.92 -30.27 65.78 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 170.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.77 -28.82 60.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.334 -0.854 . . . . 0.0 112.037 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.78 -32.92 64.02 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.232 -0.917 . . . . 0.0 112.342 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.23 -44.35 75.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.355 1.462 . . . . 0.0 111.86 166.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -56.36 -29.8 61.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -34.26 77.59 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.483 -1.386 . . . . 0.0 113.268 173.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.77 47.76 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.22 0.918 . . . . 0.0 109.799 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.39 -32.44 73.26 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.747 1.219 . . . . 0.0 113.178 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.42 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.444 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -60.3 -39.65 87.72 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.505 -0.747 . . . . 0.0 111.172 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -55.03 -34.46 63.52 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.496 1.118 . . . . 0.0 113.651 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -39.08 88.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.095 0.958 . . . . 0.0 111.584 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.03 -34.72 29.39 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.01 0.924 . . . . 0.0 112.339 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.02 70.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.293 1.037 . . . . 0.0 112.604 174.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.85 -28.16 69.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.398 1.479 . . . . 0.0 112.719 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 CA--C 1.543 0.687 0 O-C-N 121.355 -0.841 . . . . 0.0 112.25 176.455 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.0 p90 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -56.95 -32.24 65.81 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.488 -1.382 . . . . 0.0 113.516 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.1 m -56.15 -49.91 72.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.914 0.886 . . . . 0.0 111.737 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.34 -27.15 52.66 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.01 -1.472 . . . . 0.0 112.691 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -37.91 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 121.411 1.914 . . . . 0.0 112.278 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 m -67.09 -46.15 75.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.921 0.888 . . . . 0.0 111.983 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.04 64.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.253 0.621 . . . . 0.0 111.327 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.8 -49.34 65.81 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.597 1.959 . . . . 0.0 111.564 175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -51.05 -51.07 56.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.45 1.1 . . . . 0.0 110.983 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.17 -37.42 87.31 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.988 -0.445 . . . . 0.0 111.533 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.12 -33.98 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.089 1.756 . . . . 0.0 113.31 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.37 -48.56 81.16 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.2 1.363 . . . . 0.0 110.152 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 m -64.12 -56.36 15.4 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.586 1.155 . . . . 0.0 111.699 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.79 -7.96 9.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.541 1.537 . . . . 0.0 114.953 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -47.25 -36.4 8.96 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 112.536 160.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -49.21 7.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.412 1.085 . . . . 0.0 113.221 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.295 2.4 t 47.7 60.95 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 CA-C-O 123.164 1.459 . . . . 0.0 111.862 -175.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.7 t -157.08 -44.99 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.457 -1.402 . . . . 0.0 114.474 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -143.57 -39.23 0.31 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.404 1.082 . . . . 0.0 111.628 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -83.3 76.76 9.87 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.429 1.892 . . . . 0.0 110.545 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.01 -66.09 0.16 Allowed Glycine 0 CA--C 1.528 0.864 0 O-C-N 120.864 -1.148 . . . . 0.0 112.638 174.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t 48.2 27.28 1.25 Allowed 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 m120 50.86 110.85 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.126 2.17 . . . . 0.0 113.695 -157.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 55.85 75.46 0.59 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 125.41 1.484 . . . . 0.0 112.438 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.36 175.17 8.11 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.226 2.617 . . . . 0.0 111.825 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.79 -34.96 20.97 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.704 0.802 . . . . 0.0 112.963 174.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.75 -41.44 91.0 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.58 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.223 1.374 . . . . 0.0 111.351 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -73.23 -37.75 66.27 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.807 -0.558 . . . . 0.0 111.205 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -58.6 -45.17 89.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.063 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.08 -33.76 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 121.194 1.815 . . . . 0.0 113.168 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.54 76.92 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.967 1.258 . . . . 0.0 112.168 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.8 m -80.06 -51.94 8.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.151 0.98 . . . . 0.0 111.492 170.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -39.04 89.48 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 117.591 -1.195 . . . . 0.0 112.225 -173.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.4 mm -58.59 -39.61 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 120.142 1.337 . . . . 0.0 109.863 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.8 70.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.619 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.44 -39.69 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.321 0.964 . . . . 0.0 111.511 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.77 -48.94 72.67 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.033 2.533 . . . . 0.0 112.26 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 m -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.412 0.551 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.98 -29.97 70.45 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.642 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 m -67.85 -43.25 79.93 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 121.754 2.07 . . . . 0.0 111.609 174.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -61.31 -49.8 75.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.761 0.424 . . . . 0.0 111.113 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.4 m -63.62 -37.53 87.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.95 -28.98 68.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.059 1.344 . . . . 0.0 112.17 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.45 -16.62 36.58 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 174.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.99 -47.85 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.783 1.174 . . . . 0.0 111.193 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.558 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -81.5 -11.6 59.14 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -108.59 8.21 27.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.528 1.531 . . . . 0.0 111.257 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -144.31 43.57 1.41 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.869 3.268 . . . . 0.0 107.78 -171.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.94 -36.24 1.8 Allowed 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 127.047 2.139 . . . . 0.0 109.894 167.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -83.94 -55.14 4.39 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.9 0.773 . . . . 0.0 110.483 -174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.31 -38.82 88.62 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.838 0.855 . . . . 0.0 111.756 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -40.31 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.212 0.605 . . . . 0.0 111.525 175.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.66 88.14 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.888 168.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -60.69 -42.57 97.42 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.89 2.132 . . . . 0.0 112.501 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -77.81 -32.46 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.648 1.113 . . . . 0.0 113.409 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.64 -40.77 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.334 1.425 . . . . 0.0 110.102 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -46.61 83.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.009 1.277 . . . . 0.0 110.259 170.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -57.22 -47.83 80.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.381 0.672 . . . . 0.0 112.27 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.89 68.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.711 1.204 . . . . 0.0 112.721 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -72.18 -23.35 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.731 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.18 -7.32 36.06 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.496 1.043 . . . . 0.0 112.9 174.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -14.15 30.69 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.138 1.375 . . . . 0.0 113.5 169.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -110.37 22.44 15.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.722 1.609 . . . . 0.0 111.896 171.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.9 p 56.48 19.4 4.1 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.96 2.904 . . . . 0.0 116.491 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.67 -38.75 75.64 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.88 -50.25 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.856 2.462 . . . . 0.0 115.109 -166.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 m -63.53 -28.34 69.88 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.194 1.397 . . . . 0.0 113.24 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -16.45 64.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.261 1.024 . . . . 0.0 113.344 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -61.7 -41.25 97.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.039 1.335 . . . . 0.0 112.628 165.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.42 74.5 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.297 -0.877 . . . . 0.0 111.079 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -40.19 75.37 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 118.524 0.602 . . . . 0.0 111.896 175.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.87 11.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -25.73 66.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.758 1.617 . . . . 0.0 112.669 167.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.31 69.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.447 -0.783 . . . . 0.0 112.416 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -37.32 72.44 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.46 1.027 . . . . 0.0 110.743 170.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -66.84 -19.92 65.83 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -29.51 70.39 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.631 -1.293 . . . . 0.0 111.74 169.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.28 82.21 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.304 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -45.64 82.83 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.922 1.237 . . . . 0.0 110.383 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.04 83.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.973 0.909 . . . . 0.0 111.994 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -65.46 -45.91 81.89 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.424 0.69 . . . . 0.0 112.078 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -61.55 -32.5 72.58 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.289 1.436 . . . . 0.0 113.433 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.27 73.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.045 0.938 . . . . 0.0 111.307 169.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.62 -26.61 41.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.913 0.885 . . . . 0.0 113.02 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -28.83 63.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.094 0.958 . . . . 0.0 112.566 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.19 -27.12 68.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.171 1.789 . . . . 0.0 113.158 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 125.265 1.426 . . . . 0.0 112.637 169.882 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.8 t80 . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.26 -45.85 79.1 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.614 -0.678 . . . . 0.0 110.924 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.3 m -59.06 -38.34 79.15 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.84 0.856 . . . . 0.0 112.244 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -77.35 -38.32 50.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.32 1.048 . . . . 0.0 112.155 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.14 -39.99 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.212 1.369 . . . . 0.0 111.198 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.7 m -61.1 -52.79 63.41 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.443 1.019 . . . . 0.0 112.089 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.06 75.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.59 0.756 . . . . 0.0 111.247 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.62 -49.8 61.24 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 117.037 -1.458 . . . . 0.0 111.813 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 t -59.75 -32.83 70.93 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.0 1.727 . . . . 0.0 112.571 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -78.7 -31.37 46.53 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.029 -1.044 . . . . 0.0 113.22 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.98 -30.48 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.453 -1.404 . . . . 0.0 111.652 168.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.7 -44.11 97.56 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.826 1.194 . . . . 0.0 109.787 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -49.4 76.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.829 1.652 . . . . 0.0 112.576 170.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.41 -5.88 45.01 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.47 -28.31 59.19 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.647 -1.283 . . . . 0.0 111.534 167.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -98.19 -46.14 5.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.751 0.821 . . . . 0.0 112.204 -177.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.263 85.3 t 54.29 54.08 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 123.132 1.444 . . . . 0.0 112.274 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' THR . . . . . 0.537 HG22 ' H ' ' A' ' 72' ' ' THR . 8.5 m -139.29 -145.98 0.2 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.448 1.899 . . . . 0.0 107.91 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' THR . . . . . 0.537 ' H ' HG22 ' A' ' 71' ' ' THR . 62.0 m -52.76 -29.76 29.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.313 1.845 . . . . 0.0 113.702 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.2 p -95.45 43.79 1.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.121 0.968 . . . . 0.0 111.534 -155.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.35 -62.64 0.04 OUTLIER Glycine 0 CA--C 1.532 1.123 0 C-N-CA 126.025 1.774 . . . . 0.0 113.058 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t 45.82 28.88 0.63 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.457 1.903 . . . . 0.0 115.686 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 60.71 110.68 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.921 2.488 . . . . 0.0 113.389 -170.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 58.71 79.96 0.29 Allowed Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.956 1.302 . . . . 0.0 111.13 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.84 169.5 18.86 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.624 2.216 . . . . 0.0 112.087 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.62 -27.91 7.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.852 165.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -40.1 88.04 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.943 1.247 . . . . 0.0 111.888 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -40.61 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.721 0.691 . . . . 0.0 111.44 177.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 t -68.34 -41.71 80.36 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.05 0.54 . . . . 0.0 110.99 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -60.95 -42.73 98.81 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 115.968 -1.968 . . . . 0.0 111.379 167.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.2 t -48.45 -43.09 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 121.369 1.895 . . . . 0.0 112.903 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.39 98.93 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.129 0.877 . . . . 0.0 112.764 177.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -72.96 -39.36 66.22 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.557 1.543 . . . . 0.0 112.464 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.81 -49.43 65.66 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 127.28 2.232 . . . . 0.0 110.426 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.69 -38.49 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 119.209 0.913 . . . . 0.0 110.853 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.4 69.11 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.757 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.24 -37.36 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 111.923 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -63.32 -48.81 76.46 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.73 2.012 . . . . 0.0 111.111 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -59.4 -39.74 84.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.459 0.572 . . . . 0.0 111.264 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -68.87 -34.45 75.47 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.84 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -63.03 -44.82 94.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.22 1.827 . . . . 0.0 111.92 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -61.41 -48.83 79.42 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.569 0.622 . . . . 0.0 111.383 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.6 m -67.64 -28.61 67.86 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -70.32 -38.71 74.99 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.586 1.154 . . . . 0.0 111.518 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.34 -22.56 61.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -47.69 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.361 0.982 . . . . 0.0 110.782 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.861 1.265 . . . . 0.0 114.141 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -140.8 167.62 21.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.502 1.521 . . . . 0.0 110.433 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.338 1.0 OUTLIER 47.79 15.95 0.07 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.667 2.387 . . . . 0.0 116.484 -176.249 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -136.61 -46.99 0.61 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.49 1.516 . . . . 0.0 112.108 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.0 tp60 -68.8 -32.79 72.76 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.353 -0.842 . . . . 0.0 110.574 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -58.56 -25.33 62.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.599 1.159 . . . . 0.0 112.437 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.95 -38.0 46.26 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.465 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -35.67 79.06 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.155 0.582 . . . . 0.0 111.568 168.548 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -65.21 -39.9 93.41 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.587 -0.696 . . . . 0.0 111.48 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -60.13 -38.55 83.41 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.037 176.115 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.98 75.1 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.082 0.856 . . . . 0.0 111.484 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -34.65 78.13 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.93 . . . . 0.0 113.363 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -80.89 -33.63 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.708 0.803 . . . . 0.0 112.693 -176.095 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.5 mt -69.78 -37.34 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.432 -0.792 . . . . 0.0 109.381 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -40.65 72.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.882 1.219 . . . . 0.0 112.048 169.642 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -60.37 -21.91 62.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 170.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.34 -54.51 4.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.248 1.019 . . . . 0.0 111.857 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -67.93 -38.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.025 -1.047 . . . . 0.0 113.361 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -78.75 -6.63 56.4 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.198 0.999 . . . . 0.0 112.098 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -62.47 -23.66 67.02 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.392 -1.443 . . . . 0.0 112.99 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.47 7.21 14.93 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.826 1.25 . . . . 0.0 113.431 170.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.327 10.1 p 68.85 16.07 8.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 129.908 3.283 . . . . 0.0 115.236 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -71.11 107.5 4.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.465 1.506 . . . . 0.0 112.999 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -67.35 -39.99 85.79 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.416 -1.427 . . . . 0.0 111.889 170.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.5 m -62.74 -22.74 66.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.64 -21.91 63.25 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.342 1.057 . . . . 0.0 113.311 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -68.08 -22.89 64.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.385 -0.822 . . . . 0.0 113.062 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.86 73.36 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.637 -1.289 . . . . 0.0 111.957 167.808 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.9 mmt-85 -66.93 -18.33 65.33 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 173.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.5 -40.2 62.13 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.525 1.057 . . . . 0.0 112.402 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -68.31 -29.02 67.68 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.357 1.063 . . . . 0.0 112.768 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.4 -39.98 37.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.853 0.861 . . . . 0.0 111.899 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.29 -37.16 64.45 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.757 1.223 . . . . 0.0 111.59 169.197 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 m -57.04 -23.12 44.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -27.49 62.73 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.643 -1.286 . . . . 0.0 112.864 172.643 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.89 86.13 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.957 -1.089 . . . . 0.0 111.437 169.337 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -43.91 72.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.727 1.211 . . . . 0.0 111.562 173.125 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.34 72.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -39.4 61.38 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.716 0.807 . . . . 0.0 112.519 175.017 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.8 m -60.34 -39.63 87.8 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.89 -1.131 . . . . 0.0 112.522 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.94 -50.12 74.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.588 1.555 . . . . 0.0 111.33 167.478 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.12 69.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -22.89 67.09 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -33.56 74.18 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.9 1.227 . . . . 0.0 112.161 171.82 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp -64.76 -24.17 67.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.659 1.184 . . . . 0.0 112.915 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.3 pt -110.3 14.94 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.303 1.841 . . . . 0.0 112.212 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m 58.29 16.1 3.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.652 1.981 . . . . 0.0 115.191 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -94.03 -0.56 55.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.747 1.219 . . . . 0.0 112.555 -172.664 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.0 p -86.12 2.05 48.21 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.4 t -51.98 -29.73 21.91 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -173.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.59 23.3 0.22 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.152 0.882 . . . . 0.0 114.432 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 p -157.29 38.15 0.29 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.757 1.223 . . . . 0.0 113.133 -164.353 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.7 m -29.17 -64.37 0.1 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 128.153 2.581 . . . . 0.0 115.995 -168.48 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.96 64.81 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.04 1.336 . . . . 0.0 112.422 165.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -52.19 -40.57 61.69 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.474 -1.392 . . . . 0.0 113.534 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -63.46 -47.29 82.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.193 0.906 . . . . 0.0 112.215 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -44.66 77.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.826 0.85 . . . . 0.0 111.282 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -62.14 -45.6 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.862 0.865 . . . . 0.0 111.417 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -62.3 -48.13 81.24 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.917 0.887 . . . . 0.0 112.496 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -50.68 72.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.66 -0.65 . . . . 0.0 111.798 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.66 -41.36 96.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.672 -1.156 . . . . 0.0 111.478 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.9 m -51.8 -41.07 61.42 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.581 1.152 . . . . 0.0 111.311 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -74.49 -32.36 62.51 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.361 1.064 . . . . 0.0 113.234 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.02 -33.54 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 120.234 -1.541 . . . . 0.0 111.674 168.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.9 mt -63.72 -42.08 97.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.438 1.017 . . . . 0.0 110.451 172.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -56.24 -46.57 79.52 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.437 -0.789 . . . . 0.0 112.422 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -66.82 -3.06 5.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 t -67.25 -33.05 74.5 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.347 -1.471 . . . . 0.0 112.228 166.703 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -34.64 10.16 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -168.738 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t 41.01 69.56 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 127.041 2.136 . . . . 0.0 112.708 174.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 t -152.94 -56.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 t -151.45 9.9 0.56 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.852 1.261 . . . . 0.0 112.136 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.82 16.73 0.65 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.326 2.25 . . . . 0.0 114.978 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.92 60.64 6.26 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.422 1.011 . . . . 0.0 113.367 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 m -58.82 10.92 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -174.069 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -148.43 128.24 13.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.719 2.408 . . . . 0.0 108.049 166.085 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 34.78 63.51 1.96 Allowed Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 126.848 2.059 . . . . 0.0 114.627 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 168.53 15.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.783 2.322 . . . . 0.0 113.08 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.16 -29.96 15.31 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.805 168.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.65 -42.83 67.07 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.714 1.143 . . . . 0.0 112.819 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.1 -40.87 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.743 0.817 . . . . 0.0 110.728 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -62.5 -39.74 94.47 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.674 -0.641 . . . . 0.0 111.904 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -60.76 -49.99 75.25 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 117.414 -1.279 . . . . 0.0 111.28 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.3 m -60.73 -39.09 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 120.171 1.35 . . . . 0.0 111.929 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.67 90.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.974 1.261 . . . . 0.0 113.058 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.5 m -78.12 -46.82 19.67 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.392 0.542 . . . . 0.0 112.26 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -31.66 72.46 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.413 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.24 -35.02 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 120.737 1.608 . . . . 0.0 110.825 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.67 90.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.567 1.076 . . . . 0.0 112.267 172.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 t -68.17 -43.84 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.712 0.805 . . . . 0.0 111.548 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.99 -42.15 98.83 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.68 1.592 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.1 m -56.6 -39.71 74.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.902 1.228 . . . . 0.0 111.996 171.017 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -49.06 70.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.142 0.883 . . . . 0.0 111.244 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -62.37 -37.77 86.98 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.484 1.114 . . . . 0.0 113.724 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -71.04 -50.2 36.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.437 1.095 . . . . 0.0 111.038 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.1 m -61.05 -32.24 71.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.078 1.308 . . . . 0.0 112.799 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.74 -45.69 91.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.977 0.911 . . . . 0.0 111.406 168.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.89 72.82 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.4 mm -63.5 -42.8 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.325 0.966 . . . . 0.0 111.789 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.6 m -148.53 76.66 1.36 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.494 1.117 . . . . 0.0 112.39 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.31 60.27 0.02 OUTLIER Glycine 0 CA--C 1.532 1.154 0 C-N-CA 123.857 0.741 . . . . 0.0 114.157 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.92 -41.91 25.84 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 -170.003 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.1 m 34.37 54.33 0.61 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 128.122 2.569 . . . . 0.0 114.276 169.384 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.05 -153.82 18.62 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.813 1.197 . . . . 0.0 111.979 -169.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.41 -68.96 1.49 Allowed Glycine 0 CA--C 1.536 1.35 0 O-C-N 122.153 -0.616 . . . . 0.0 113.248 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.6 p 169.94 72.3 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.693 1.997 . . . . 0.0 112.788 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 59.36 -63.33 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.95 2.5 . . . . 0.0 116.271 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -110.23 -11.56 14.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.59 1.556 . . . . 0.0 112.718 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 48.58 47.23 20.74 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.839 1.656 . . . . 0.0 114.074 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.263 21.3 pt20 43.64 54.46 5.47 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.416 1.886 . . . . 0.0 113.569 -169.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.0 m 59.93 50.19 7.03 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.26 1.824 . . . . 0.0 113.044 -172.14 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 51.2 50.89 18.08 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.62 1.968 . . . . 0.0 113.497 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.16 44.52 1.89 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.554 1.542 . . . . 0.0 112.208 -174.61 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -135.63 108.07 7.36 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.064 1.345 . . . . 0.0 111.266 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -81.0 78.43 7.82 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.952 1.301 . . . . 0.0 111.822 -172.737 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.57 172.41 13.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.38 1.872 . . . . 0.0 111.29 -175.015 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.4 m -128.61 -33.46 2.07 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.843 1.657 . . . . 0.0 113.204 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.353 0 C-N-CA 125.479 1.512 . . . . 0.0 111.292 175.456 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.444 0 CA-C-O 118.779 -1.012 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 p 48.09 -171.01 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.86 2.064 . . . . 0.0 114.676 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 52.3 34.48 14.86 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.826 1.25 . . . . 0.0 113.65 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -135.53 -54.36 0.78 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.823 1.249 . . . . 0.0 112.637 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -78.76 -39.26 36.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.783 0.833 . . . . 0.0 109.742 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.47 26.43 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 130.113 3.365 . . . . 0.0 113.261 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -52.95 0.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.631 1.972 . . . . 0.0 109.879 -174.67 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -75.25 -45.05 42.55 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.608 1.094 . . . . 0.0 110.966 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.59 -40.15 92.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.323 -0.86 . . . . 0.0 111.405 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.6 tp -69.04 -36.58 77.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.871 -0.518 . . . . 0.0 112.129 179.484 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.47 69.85 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 0.0 110.492 171.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.23 94.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.366 0.985 . . . . 0.0 112.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 1.8 p -76.54 -34.1 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.362 -0.836 . . . . 0.0 112.588 -177.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.78 -40.61 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.442 -0.786 . . . . 0.0 110.335 168.235 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.45 -48.06 75.07 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.483 1.038 . . . . 0.0 111.527 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -56.19 -42.69 77.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.182 0.901 . . . . 0.0 112.834 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.82 70.18 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -71.43 -42.08 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 120.863 -1.148 . . . . 0.0 111.93 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.8 p -78.75 -10.04 59.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.487 1.115 . . . . 0.0 113.98 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -15.07 7.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.94 1.296 . . . . 0.0 113.907 169.517 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -110.49 20.74 17.41 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.033 1.733 . . . . 0.0 112.025 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 5.1 t 55.48 45.43 25.13 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.943 2.497 . . . . 0.0 115.16 176.026 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -121.33 86.05 2.51 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.176 1.39 . . . . 0.0 112.258 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 m -57.96 -41.23 82.42 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 120.869 -1.144 . . . . 0.0 113.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -59.67 -24.45 63.92 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.543 1.137 . . . . 0.0 113.715 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -67.31 -25.04 65.83 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.626 1.57 . . . . 0.0 112.791 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -68.67 -35.47 77.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.947 0.899 . . . . 0.0 112.245 168.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.43 73.62 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.899 -1.126 . . . . 0.0 112.057 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -63.7 -38.89 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.355 -0.84 . . . . 0.0 111.635 168.762 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.05 -15.43 32.36 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -65.0 -25.05 67.69 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.93 -1.106 . . . . 0.0 112.901 167.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.35 -33.03 63.01 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.984 -1.072 . . . . 0.0 112.809 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -38.23 66.23 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.795 0.838 . . . . 0.0 110.789 168.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.1 m -58.99 -26.51 64.55 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.679 -1.263 . . . . 0.0 114.297 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.08 74.98 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.431 1.014 . . . . 0.0 112.01 173.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.53 94.97 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.693 -0.629 . . . . 0.0 110.696 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.01 -32.48 69.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.846 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.78 94.58 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.469 -0.769 . . . . 0.0 112.221 167.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -63.83 -38.38 90.87 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.278 -0.889 . . . . 0.0 112.122 170.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.9 m -58.98 -30.41 67.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.047 -1.033 . . . . 0.0 113.548 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -39.27 85.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.115 0.966 . . . . 0.0 111.647 173.552 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.1 -39.66 48.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.316 0.646 . . . . 0.0 112.009 173.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.84 -35.46 72.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.826 0.85 . . . . 0.0 113.075 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -56.58 -23.31 39.65 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.448 1.899 . . . . 0.0 114.403 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.22 -26.91 68.32 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.191 -0.943 . . . . 0.0 112.676 172.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.5 mt -105.94 163.6 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 127.171 2.188 . . . . 0.0 108.637 -178.457 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 p -69.9 -86.06 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.759 -1.213 . . . . 0.0 111.961 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 42.13 28.0 0.09 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.293 2.237 . . . . 0.0 115.204 -174.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 m -58.82 -28.86 66.42 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.227 1.811 . . . . 0.0 114.339 -172.302 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.1 p -116.0 8.01 14.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.695 1.998 . . . . 0.0 112.555 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.46 7.22 63.63 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.404 1.955 . . . . 0.0 113.906 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 p 47.61 29.78 1.56 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.435 2.294 . . . . 0.0 116.052 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -59.76 -47.36 85.97 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.129 -0.982 . . . . 0.0 112.583 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -75.55 -35.33 60.68 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 170.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.62 -43.52 84.51 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.602 1.092 . . . . 0.0 111.785 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.8 m -59.92 -40.68 89.66 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.397 -0.815 . . . . 0.0 111.128 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -61.13 -60.13 4.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.29 -31.6 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.812 1.642 . . . . 0.0 113.253 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.0 m -66.12 -43.12 88.05 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.062 1.755 . . . . 0.0 111.736 173.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.17 30.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.434 0.694 . . . . 0.0 111.732 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.86 -38.65 86.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.535 -0.745 . . . . 0.0 112.274 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.8 m -57.65 -51.65 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.15 1.341 . . . . 0.0 111.225 173.514 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.58 -35.72 78.64 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.266 0.939 . . . . 0.0 112.445 174.46 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.54 -26.53 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -38.32 84.84 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.495 1.498 . . . . 0.0 112.424 174.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.8 p -86.22 -36.6 19.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.492 1.042 . . . . 0.0 112.839 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.57 -21.19 63.64 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 m -75.23 -36.76 61.3 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.054 -1.029 . . . . 0.0 112.661 167.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -79.23 -38.27 36.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.6 t 64.62 -49.26 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 129.025 2.93 . . . . 0.0 115.164 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.7 p -67.54 143.75 55.97 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.6 m 61.19 -38.4 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.823 2.449 . . . . 0.0 116.673 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -120.67 14.06 11.72 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.138 1.335 . . . . 0.0 113.651 -171.413 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.28 -1.61 43.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.315 1.436 . . . . 0.0 115.883 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -56.67 110.56 0.81 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.287 1.543 . . . . 0.0 109.864 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -53.72 134.15 41.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.895 0.878 . . . . 0.0 111.794 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 43.68 67.58 3.69 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.349 1.46 . . . . 0.0 112.778 -169.382 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.19 178.64 5.22 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.44 2.76 . . . . 0.0 111.898 -174.666 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -30.71 16.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -42.77 99.1 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.865 1.666 . . . . 0.0 113.733 171.131 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 t -70.73 -37.29 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.572 -1.33 . . . . 0.0 111.278 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -65.17 -35.11 80.07 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.264 -0.897 . . . . 0.0 112.2 169.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -58.52 -49.29 77.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 116.847 -1.549 . . . . 0.0 110.214 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.259 31.1 m -62.49 -39.22 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 121.147 1.794 . . . . 0.0 112.335 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -41.91 90.49 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 120.373 1.442 . . . . 0.0 112.956 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -79.1 -43.96 23.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.93 0.892 . . . . 0.0 112.393 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.45 -36.83 81.96 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.708 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.7 mm -59.59 -36.88 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 120.296 1.407 . . . . 0.0 110.633 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.47 81.22 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.369 0.986 . . . . 0.0 111.65 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.44 -31.09 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.387 1.075 . . . . 0.0 112.671 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -79.76 -46.52 16.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.64 2.376 . . . . 0.0 111.582 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.3 m -61.04 -39.77 91.09 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.118 -0.989 . . . . 0.0 110.76 169.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -66.5 -40.05 89.05 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 117.237 -1.363 . . . . 0.0 113.37 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.0 p -63.67 -36.59 84.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 121.883 2.128 . . . . 0.0 112.038 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.5 m -60.78 -53.53 56.3 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.631 0.772 . . . . 0.0 111.896 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -64.98 -30.23 71.2 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.43 -38.79 71.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.333 1.453 . . . . 0.0 111.262 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.25 -26.88 65.9 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.4 mm -60.45 -44.37 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.234 0.925 . . . . 0.0 111.39 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.3 t -162.12 -48.53 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 172.185 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.38 60.84 0.23 Allowed Glycine 0 N--CA 1.474 1.196 0 C-N-CA 123.818 0.723 . . . . 0.0 114.107 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.1 31.45 2.42 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -168.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.4 m -121.06 -70.68 0.77 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.027 0.931 . . . . 0.0 111.847 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.84 -159.94 7.15 Favored Glycine 0 CA--C 1.542 1.746 0 C-N-CA 124.061 0.838 . . . . 0.0 115.101 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 114.34 49.13 0.54 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 123.898 0.761 . . . . 0.0 114.464 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.9 m 54.5 56.44 6.83 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.426 1.491 . . . . 0.0 114.22 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.85 56.97 0.64 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.405 1.482 . . . . 0.0 113.069 -169.412 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -136.63 -17.15 1.49 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 42.74 45.17 4.06 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.486 1.514 . . . . 0.0 114.674 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 44.09 73.64 0.14 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.467 1.907 . . . . 0.0 112.584 -169.572 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.7 p 45.31 42.1 6.93 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.677 1.991 . . . . 0.0 114.279 -173.454 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 49.87 36.94 12.38 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.72 2.008 . . . . 0.0 114.265 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -142.88 29.21 1.52 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.593 1.557 . . . . 0.0 112.734 -174.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -49.1 115.0 1.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.351 1.46 . . . . 0.0 112.063 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 54.37 129.77 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.735 2.414 . . . . 0.0 115.857 -168.366 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -156.33 140.22 16.23 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.356 1.062 . . . . 0.0 111.057 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -160.15 170.0 22.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.206 1.403 . . . . 0.0 110.937 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.326 0 C-N-CA 127.616 2.366 . . . . 0.0 114.314 -176.46 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -89.05 168.67 12.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.946 1.298 . . . . 0.0 112.441 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.328 0.7 OUTLIER 50.55 10.3 0.06 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.676 2.79 . . . . 0.0 116.906 -174.443 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -139.04 -47.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.387 1.075 . . . . 0.0 113.063 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.63 -29.9 70.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.148 1.34 . . . . 0.0 111.356 166.219 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -57.06 -34.25 68.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.005 0.922 . . . . 0.0 112.343 170.181 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.32 77.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.198 1.363 . . . . 0.0 112.956 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -40.63 70.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.249 0.619 . . . . 0.0 111.15 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.46 -44.6 86.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.864 -0.523 . . . . 0.0 111.344 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.11 -46.0 82.98 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.74 170.314 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.57 72.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.807 1.639 . . . . 0.0 112.301 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -63.51 -46.84 84.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.083 1.31 . . . . 0.0 113.107 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 30.9 m -77.02 -31.82 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.285 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.85 -49.1 84.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-O 116.85 -1.548 . . . . 0.0 108.526 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -49.55 -49.08 47.74 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.805 1.639 . . . . 0.0 112.139 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -66.58 -4.06 7.78 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.77 -45.11 2.9 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.96 1.704 . . . . 0.0 112.388 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -62.48 -37.1 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.118 1.367 . . . . 0.0 112.151 171.711 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -95.97 -0.93 50.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.83 1.252 . . . . 0.0 111.962 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -57.76 -33.23 68.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.78 -1.2 . . . . 0.0 113.265 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -78.02 -76.63 0.18 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.047 0.939 . . . . 0.0 110.338 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.7 t 169.19 115.17 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.187 2.595 . . . . 0.0 109.429 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -163.15 -53.78 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.653 0.781 . . . . 0.0 112.767 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 67.0 -39.47 0.36 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.285 2.234 . . . . 0.0 115.457 -176.052 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.8 m -68.06 -23.05 64.91 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.368 -1.457 . . . . 0.0 112.947 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -53.68 -23.5 11.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.501 1.921 . . . . 0.0 114.176 169.044 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.91 -35.78 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.119 0.872 . . . . 0.0 113.241 167.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.81 63.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.572 0.749 . . . . 0.0 112.155 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -56.97 -36.08 69.91 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.328 0.967 . . . . 0.0 112.374 173.262 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -22.49 43.87 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -69.6 -26.47 64.46 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.161 -0.962 . . . . 0.0 112.399 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.11 63.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.336 -0.852 . . . . 0.0 112.255 170.497 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.22 -42.5 73.42 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 168.735 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -57.14 -22.01 36.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -32.2 73.31 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.611 1.096 . . . . 0.0 112.71 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -32.08 73.46 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.263 -0.898 . . . . 0.0 112.29 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.92 -37.0 24.8 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.924 1.289 . . . . 0.0 111.195 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.41 93.87 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.589 -0.694 . . . . 0.0 111.372 165.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -63.05 -41.58 99.52 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.026 0.93 . . . . 0.0 112.195 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 t -54.23 -47.1 72.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.705 1.139 . . . . 0.0 112.429 171.495 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.391 1.076 . . . . 0.0 112.118 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.4 -38.57 55.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -35.86 77.43 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.656 -1.277 . . . . 0.0 113.034 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -28.07 68.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.193 0.997 . . . . 0.0 113.269 172.365 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.0 tp -82.8 -39.1 22.21 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.405 1.082 . . . . 0.0 111.879 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.7 mt -68.86 -28.64 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.176 1.39 . . . . 0.0 112.293 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m 79.75 3.79 2.08 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.718 2.807 . . . . 0.0 114.899 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -81.31 4.37 20.83 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.9 m -51.73 -11.28 0.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 t -59.31 -27.15 65.61 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.288 1.404 . . . . 0.0 114.459 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.31 -21.66 4.0 Favored Glycine 0 N--CA 1.476 1.366 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.3 p -147.89 38.62 0.92 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.678 1.239 . . . . 0.0 113.831 -176.425 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 t -38.54 -61.56 0.69 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.714 2.006 . . . . 0.0 113.667 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -155.51 -53.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.236 1.815 . . . . 0.0 109.611 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -32.87 74.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.529 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 m -60.65 -44.09 96.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.031 0.832 . . . . 0.0 111.552 173.41 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -35.76 66.81 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.109 175.558 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.5 mt -58.39 -42.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.887 1.221 . . . . 0.0 110.624 170.611 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.9 m -58.7 -33.08 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 121.321 1.873 . . . . 0.0 113.254 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.52 -55.42 5.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.27 0.628 . . . . 0.0 111.993 171.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -47.69 84.47 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 124.262 1.025 . . . . 0.0 111.816 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -60.41 -34.67 74.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 112.334 178.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -66.07 -52.01 52.8 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.397 -1.44 . . . . 0.0 111.267 167.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.64 -33.42 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 126.12 1.768 . . . . 0.0 113.729 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -53.71 -49.99 66.89 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.913 1.685 . . . . 0.0 111.236 174.57 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -43.06 48.3 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.28 -17.08 63.3 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 t -56.1 -25.75 46.98 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.865 1.266 . . . . 0.0 113.096 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.68 -29.72 40.88 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t 55.08 170.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 127.415 2.286 . . . . 0.0 112.5 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 m 68.98 5.37 5.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.866 -1.771 . . . . 0.0 114.439 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 t -149.19 -154.33 0.55 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.768 1.627 . . . . 0.0 110.371 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.9 p -41.33 135.1 2.06 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.572 1.549 . . . . 0.0 112.589 165.481 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.5 -119.46 1.02 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.834 1.207 . . . . 0.0 111.109 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.2 m -65.99 34.94 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.985 2.114 . . . . 0.0 115.123 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -135.98 17.44 3.25 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.268 1.827 . . . . 0.0 112.674 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 m120 40.88 66.79 3.29 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 127.15 2.18 . . . . 0.0 113.994 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -69.08 166.64 26.07 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.186 2.591 . . . . 0.0 113.299 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.12 -34.48 44.6 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.093 0.957 . . . . 0.0 112.534 172.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -60.2 -57.19 13.87 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.757 1.223 . . . . 0.0 113.146 170.858 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -34.46 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.44 1.018 . . . . 0.0 111.304 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.7 t -68.21 -44.05 76.66 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.228 1.011 . . . . 0.0 111.998 171.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -55.87 -40.73 73.37 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 117.388 -1.292 . . . . 0.0 111.21 170.54 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.12 -38.81 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 120.789 1.631 . . . . 0.0 112.423 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -67.4 -47.63 69.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.95 1.25 . . . . 0.0 112.293 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.8 m -64.84 -42.93 94.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.08 0.952 . . . . 0.0 112.187 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -74.05 -31.37 62.85 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.425 179.106 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mm -54.79 -38.89 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 121.655 2.025 . . . . 0.0 111.367 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -49.11 76.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.42 0.554 . . . . 0.0 111.878 171.036 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.45 -35.63 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.439 1.096 . . . . 0.0 113.031 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -52.08 48.21 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.982 2.113 . . . . 0.0 110.535 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -62.13 -43.09 99.59 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.238 0.472 . . . . 0.0 111.727 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -65.47 -37.4 86.74 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.675 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.9 t -64.11 -41.86 97.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.391 1.45 . . . . 0.0 111.52 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.2 m -60.76 -51.4 69.49 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.798 -0.564 . . . . 0.0 111.853 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.5 m -64.35 -31.04 72.09 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -70.05 -44.34 69.39 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.061 1.345 . . . . 0.0 110.951 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.35 70.94 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.181 0.901 . . . . 0.0 113.41 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.91 -33.25 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.524 1.13 . . . . 0.0 112.643 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 p -159.79 58.89 0.37 Allowed 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 179.26 86.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.093 0 O-C-N 120.988 -1.07 . . . . 0.0 113.589 -171.395 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.18 -21.48 66.58 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.7 p -70.4 107.82 3.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.955 1.702 . . . . 0.0 111.943 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.02 -62.35 0.02 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.995 0.807 . . . . 0.0 113.909 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.27 -116.92 0.74 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.254 0.93 . . . . 0.0 112.12 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.3 m -143.89 73.36 1.38 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.031 1.733 . . . . 0.0 110.823 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.8 39.76 0.07 Allowed 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 125.651 1.581 . . . . 0.0 114.288 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -96.03 -16.28 21.73 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.615 1.566 . . . . 0.0 114.093 -169.196 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -150.96 75.92 1.22 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.13 1.772 . . . . 0.0 111.118 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 44.98 58.21 4.17 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.295 1.838 . . . . 0.0 113.356 -172.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 t 57.7 53.51 7.1 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.974 1.31 . . . . 0.0 112.698 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 42.04 42.6 2.43 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.432 2.293 . . . . 0.0 114.883 -177.167 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -96.04 -16.8 21.4 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 48.32 40.11 13.76 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.032 1.733 . . . . 0.0 114.824 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -141.82 123.58 15.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.607 1.563 . . . . 0.0 110.393 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 61.79 149.37 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.785 2.434 . . . . 0.0 114.417 -170.088 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -160.73 55.22 0.31 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.615 1.166 . . . . 0.0 111.614 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.615 1.566 . . . . 0.0 112.055 -179.544 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m 54.07 -174.94 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.662 1.585 . . . . 0.0 113.719 -168.573 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 54.86 29.33 11.82 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.395 1.478 . . . . 0.0 113.696 -172.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -144.09 -57.77 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 111.921 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.65 -27.7 64.99 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.822 1.192 . . . . 0.0 112.053 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -53.81 -44.41 70.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.353 1.861 . . . . 0.0 112.875 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -30.42 71.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.276 0.944 . . . . 0.0 113.05 -175.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.82 -34.36 60.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.517 0.727 . . . . 0.0 111.158 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.37 -45.53 87.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.149 164.043 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.73 -48.28 66.8 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.599 1.091 . . . . 0.0 110.877 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.8 -45.91 78.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.068 0.849 . . . . 0.0 112.338 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.56 87.48 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.759 1.163 . . . . 0.0 113.542 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -80.64 -35.71 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.14 -0.975 . . . . 0.0 112.527 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.7 -44.04 99.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-O 117.289 -1.339 . . . . 0.0 107.836 170.256 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.77 -47.23 70.94 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.227 1.376 . . . . 0.0 112.029 173.552 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -60.3 -38.26 83.08 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.38 -50.92 23.04 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.217 1.007 . . . . 0.0 113.039 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 31.8 m -65.07 -33.3 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.217 1.407 . . . . 0.0 112.322 178.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.63 -12.71 47.75 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.185 0.994 . . . . 0.0 112.944 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -14.7 18.32 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.406 1.083 . . . . 0.0 113.416 170.515 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -101.19 19.64 17.21 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.418 1.887 . . . . 0.0 112.294 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 7.5 t 53.21 51.5 15.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.995 2.518 . . . . 0.0 114.364 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -120.14 76.71 1.19 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.219 1.407 . . . . 0.0 111.779 -174.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 m -58.1 -24.18 57.7 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.551 -1.343 . . . . 0.0 113.39 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -53.58 -26.4 21.48 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.804 -1.185 . . . . 0.0 113.758 171.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -72.2 -24.47 61.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.517 1.127 . . . . 0.0 112.846 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -66.75 -28.79 68.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.915 0.78 . . . . 0.0 113.094 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.52 81.02 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.821 0.737 . . . . 0.0 111.503 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.95 -22.98 67.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -50.78 -38.6 49.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.147 1.34 . . . . 0.0 112.975 171.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.54 -23.32 63.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.214 1.406 . . . . 0.0 112.765 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.51 -31.58 24.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.686 1.194 . . . . 0.0 112.657 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.87 -33.71 68.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.135 1.334 . . . . 0.0 111.284 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -59.62 -22.14 61.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -31.47 68.95 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.727 -1.233 . . . . 0.0 112.153 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.2 92.95 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.475 -0.765 . . . . 0.0 111.32 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -46.09 68.87 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.506 0.723 . . . . 0.0 112.095 173.008 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.85 -39.51 77.88 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.524 0.602 . . . . 0.0 111.958 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 m -69.68 -40.71 76.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.118 0.967 . . . . 0.0 112.766 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 m -63.96 -37.64 88.16 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.369 1.068 . . . . 0.0 113.485 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -40.2 81.24 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.744 1.617 . . . . 0.0 111.299 171.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.71 -32.99 64.18 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.635 -0.666 . . . . 0.0 112.559 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -39.18 72.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.189 0.996 . . . . 0.0 111.936 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.65 -21.89 64.8 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.74 -32.4 69.56 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.181 -0.95 . . . . 0.0 112.718 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 pt -103.71 -176.28 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 126.844 2.057 . . . . 0.0 110.566 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.1 t -60.14 -70.26 0.18 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.131 -0.981 . . . . 0.0 111.895 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 43.99 25.95 0.12 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.459 1.903 . . . . 0.0 115.564 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 m -62.57 -37.51 86.45 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.393 -1.442 . . . . 0.0 113.755 -173.455 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 t -83.62 -9.96 58.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.954 0.902 . . . . 0.0 112.571 171.296 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.59 -29.62 72.4 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 125.53 1.538 . . . . 0.0 113.013 171.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.8 t 47.62 65.76 1.2 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.365 1.583 . . . . 0.0 113.995 168.704 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t 54.5 57.0 6.17 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.626 1.171 . . . . 0.0 111.985 -168.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 37.1 55.36 1.27 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.548 2.339 . . . . 0.0 114.921 -177.461 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -38.13 4.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.589 1.956 . . . . 0.0 115.025 -175.235 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -65.9 -49.28 68.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.25 0.932 . . . . 0.0 111.681 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -40.43 73.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.385 1.074 . . . . 0.0 111.929 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mm -65.86 -46.99 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 117.543 -1.218 . . . . 0.0 110.414 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 t -61.26 -42.22 98.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.771 1.623 . . . . 0.0 111.694 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.95 61.88 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.664 -0.648 . . . . 0.0 112.603 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.58 -38.59 91.53 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.065 1.302 . . . . 0.0 111.796 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.6 m -53.77 -45.11 70.53 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.608 1.094 . . . . 0.0 111.432 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -64.45 -38.26 90.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.5 -34.09 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.802 1.637 . . . . 0.0 111.506 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -62.83 -48.14 80.37 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.47 1.032 . . . . 0.0 110.247 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 p -65.26 -49.1 70.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.096 0.559 . . . . 0.0 112.161 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -55.47 -27.4 48.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.358 2.263 . . . . 0.0 114.255 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.12 -40.11 92.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.169 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -72.81 -52.74 13.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.419 0.688 . . . . 0.0 111.661 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.07 145.63 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.685 1.594 . . . . 0.0 109.477 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.3 t -50.59 122.59 7.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.165 0.507 . . . . 0.0 112.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.7 p 41.28 56.7 3.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.054 2.542 . . . . 0.0 116.735 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -34.11 123.39 0.49 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.268 1.827 . . . . 0.0 114.15 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -78.49 0.61 Allowed Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.768 1.175 . . . . 0.0 112.051 -167.5 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 p -168.93 46.1 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.137 1.375 . . . . 0.0 113.34 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 60.63 21.82 11.68 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.269 1.428 . . . . 0.0 112.725 -171.212 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -163.54 78.25 1.66 Allowed Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 127.464 2.306 . . . . 0.0 107.878 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -69.01 177.58 4.92 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.44 2.093 . . . . 0.0 110.697 175.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.5 -27.42 4.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 167.127 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -72.73 -42.9 63.61 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.693 1.197 . . . . 0.0 112.255 -177.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 t -72.13 -40.77 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.668 1.122 . . . . 0.0 111.171 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -61.42 -41.33 96.98 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.01 0.823 . . . . 0.0 111.116 173.141 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -61.77 -33.89 74.9 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 116.059 -1.924 . . . . 0.0 112.555 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.2 t -54.06 -45.16 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 122.922 2.601 . . . . 0.0 111.276 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -67.9 -48.03 67.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 121.606 2.003 . . . . 0.0 112.894 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -62.06 -44.64 96.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.606 -0.684 . . . . 0.0 112.081 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.0 -38.27 72.66 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.237 -1.839 . . . . 0.0 111.326 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.47 -39.15 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 122.37 2.35 . . . . 0.0 110.13 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.04 87.65 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.784 0.72 . . . . 0.0 112.708 172.205 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.61 -46.08 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.893 0.877 . . . . 0.0 112.094 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.63 -45.2 81.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.302 2.241 . . . . 0.0 111.244 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 m -59.67 -48.98 79.52 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.03 0.832 . . . . 0.0 111.985 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -67.33 -32.27 73.12 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.706 173.64 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 m -67.76 -43.79 79.0 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.048 1.749 . . . . 0.0 112.224 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.6 m -62.83 -48.67 78.06 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.909 0.777 . . . . 0.0 111.086 172.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.9 m -64.21 -34.22 77.59 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.67 -19.58 59.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.142 1.377 . . . . 0.0 112.582 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.57 -31.48 26.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.928 1.24 . . . . 0.0 112.473 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 mm -58.02 -43.33 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.91 1.284 . . . . 0.0 111.708 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.3 m -145.44 54.18 1.19 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.804 1.242 . . . . 0.0 113.091 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.42 -24.35 65.8 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 120.811 -1.181 . . . . 0.0 115.215 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.41 91.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.067 0.947 . . . . 0.0 113.269 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.0 t -75.35 -33.7 61.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.653 0.781 . . . . 0.0 112.335 173.006 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 57.59 -98.84 0.09 OUTLIER Glycine 0 CA--C 1.533 1.219 0 C-N-CA 126.153 1.835 . . . . 0.0 114.257 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.4 30.17 31.14 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.115 0.864 . . . . 0.0 114.648 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t 57.25 62.77 2.08 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.822 1.649 . . . . 0.0 113.627 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.5 -50.32 23.62 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.518 1.927 . . . . 0.0 115.607 -168.601 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -128.36 -3.35 5.54 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.483 1.513 . . . . 0.0 112.896 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.06 33.79 1.82 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.464 1.906 . . . . 0.0 114.68 -175.62 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -155.39 -61.33 0.11 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.397 1.479 . . . . 0.0 110.382 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 m -87.91 34.33 0.72 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.354 1.862 . . . . 0.0 113.162 -172.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.19 50.43 1.03 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.634 1.574 . . . . 0.0 110.305 -171.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 54.51 45.45 26.96 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.575 1.95 . . . . 0.0 113.915 -172.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -137.92 60.07 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.686 1.195 . . . . 0.0 112.248 -172.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -146.33 172.51 13.38 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.796 1.238 . . . . 0.0 112.492 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -139.58 132.14 28.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.951 1.3 . . . . 0.0 110.869 175.04 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -158.34 177.27 11.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.643 1.577 . . . . 0.0 111.117 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.334 0 C-N-CA 126.749 2.02 . . . . 0.0 113.497 -170.875 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -55.8 158.96 3.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.711 0.804 . . . . 0.0 112.345 168.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.3 0.3 OUTLIER 46.28 21.03 0.1 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 -173.213 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -147.08 -45.05 0.18 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.055 1.342 . . . . 0.0 113.246 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -94.7 -38.36 10.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.93 0.786 . . . . 0.0 110.743 170.548 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.11 29.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 128.717 2.807 . . . . 0.0 113.955 172.084 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.5 pp -138.05 -37.72 0.58 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.541 1.536 . . . . 0.0 112.672 176.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.15 -45.54 9.5 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.016 0.825 . . . . 0.0 110.007 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.44 -43.62 96.63 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.048 0.939 . . . . 0.0 110.176 161.632 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -70.12 -30.68 67.93 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.093 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.27 49.04 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.09 -1.006 . . . . 0.0 110.344 166.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.352 -0.842 . . . . 0.0 113.088 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -80.96 -35.79 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.4 -0.813 . . . . 0.0 112.552 -175.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.46 -39.27 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.666 0.666 . . . . 0.0 109.65 168.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -41.48 96.78 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.337 0.971 . . . . 0.0 111.641 172.52 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -59.6 -22.95 62.52 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.319 -0.863 . . . . 0.0 113.184 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.3 -57.71 2.83 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.744 1.217 . . . . 0.0 112.079 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.45 -35.03 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 120.653 -1.279 . . . . 0.0 113.51 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -95.01 3.46 54.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.765 1.626 . . . . 0.0 111.332 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -55.61 -30.49 61.0 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.875 -1.141 . . . . 0.0 112.222 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -81.01 -94.11 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.502 1.521 . . . . 0.0 109.564 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -165.73 39.37 0.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.222 1.487 . . . . 0.0 111.965 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.94 56.93 0.64 Allowed 'General case' 0 CA--C 1.547 0.837 0 O-C-N 119.904 -1.748 . . . . 0.0 112.213 -155.04 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -52.91 -34.34 54.68 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.4 -1.437 . . . . 0.0 114.654 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -63.96 -29.46 70.62 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.769 -1.207 . . . . 0.0 112.98 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -28.47 69.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.951 1.301 . . . . 0.0 112.219 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -62.93 -22.51 66.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.7 70.95 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.732 1.151 . . . . 0.0 112.535 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -14.35 60.4 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.94 68.76 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.326 1.421 . . . . 0.0 111.875 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -72.7 -22.45 60.89 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.506 1.122 . . . . 0.0 113.129 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.53 38.14 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.955 -1.091 . . . . 0.0 112.126 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.63 -34.66 69.55 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.052 -1.03 . . . . 0.0 111.13 165.081 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -61.98 -25.42 67.61 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -34.54 65.31 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.69 1.132 . . . . 0.0 112.145 173.372 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.14 42.05 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.63 -0.669 . . . . 0.0 111.873 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.6 pp -65.57 -30.34 71.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 177.067 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.43 68.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.922 0.783 . . . . 0.0 112.282 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -59.59 -40.19 86.62 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.464 -0.772 . . . . 0.0 110.766 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -63.72 -21.49 66.43 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.41 75.29 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.269 1.395 . . . . 0.0 111.186 170.025 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.4 27.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 112.622 171.427 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -69.99 -16.61 63.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.778 -1.201 . . . . 0.0 113.645 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.2 -32.25 72.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.296 1.438 . . . . 0.0 111.94 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.11 -35.15 77.67 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.951 0.901 . . . . 0.0 113.158 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.2 pt -85.23 167.85 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.658 0.783 . . . . 0.0 111.615 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.2 m -114.38 -11.78 12.47 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -83.65 19.84 1.55 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.241 1.816 . . . . 0.0 113.768 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -134.36 22.0 3.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.273 2.229 . . . . 0.0 112.213 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t 57.78 6.52 0.46 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.208 1.803 . . . . 0.0 114.821 -172.393 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.44 10.48 53.66 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.106 1.336 . . . . 0.0 114.586 -165.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.1 p -161.08 31.11 0.14 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.374 1.587 . . . . 0.0 114.358 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.8 p -58.31 -8.37 1.13 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -46.69 -34.97 5.56 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.346 1.458 . . . . 0.0 113.927 174.123 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -65.62 -36.82 84.83 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.889 . . . . 0.0 112.827 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -60.94 -42.84 98.99 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.604 -0.685 . . . . 0.0 110.774 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.19 -56.72 12.77 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.676 -1.155 . . . . 0.0 111.983 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.2 pt -62.51 -30.36 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.297 1.862 . . . . 0.0 112.747 -175.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.7 t -70.66 -44.12 67.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.086 0.954 . . . . 0.0 112.003 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.85 -50.46 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.205 -0.934 . . . . 0.0 111.267 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -48.55 76.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.349 1.459 . . . . 0.0 112.055 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -61.76 -31.76 71.98 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.507 1.503 . . . . 0.0 113.11 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -75.46 -35.87 60.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.06 -1.025 . . . . 0.0 112.714 169.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.99 -30.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.837 1.255 . . . . 0.0 111.512 170.45 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -56.57 -41.85 77.6 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.362 1.437 . . . . 0.0 111.166 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -46.53 85.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 111.763 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 -10.86 59.9 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.064 1.346 . . . . 0.0 114.089 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.0 m -81.16 -23.39 38.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.549 1.54 . . . . 0.0 112.638 168.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -35.42 10.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.484 0.714 . . . . 0.0 112.425 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t 55.38 61.46 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.991 1.716 . . . . 0.0 112.594 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.9 p -140.28 -168.52 2.56 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.4 1.88 . . . . 0.0 110.964 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.0 m -44.86 -37.02 3.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.02 1.728 . . . . 0.0 113.204 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -85.73 50.1 1.9 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.29 1.836 . . . . 0.0 112.653 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.14 83.91 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.891 0.758 . . . . 0.0 114.22 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 t -145.36 47.87 1.28 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.642 1.177 . . . . 0.0 112.529 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.0 t30 62.28 107.75 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 128.286 2.634 . . . . 0.0 114.059 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 54.6 73.43 0.89 Allowed Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.265 1.426 . . . . 0.0 111.83 -166.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -65.16 -178.97 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.602 2.868 . . . . 0.0 111.78 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.82 -33.46 4.48 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.818 0.847 . . . . 0.0 113.122 169.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.41 -39.6 81.58 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.162 0.892 . . . . 0.0 113.322 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.12 -41.99 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.86 0.864 . . . . 0.0 110.659 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.19 94.83 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.93 -0.481 . . . . 0.0 111.277 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -63.21 -34.97 78.8 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.868 -1.539 . . . . 0.0 111.593 168.1 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.07 -41.8 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 121.222 1.828 . . . . 0.0 111.687 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.07 -44.06 81.06 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.203 1.365 . . . . 0.0 112.45 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -62.13 -50.08 73.3 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.152 0.981 . . . . 0.0 112.384 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.4 pp -70.54 -32.89 70.5 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.583 -179.542 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.0 mm -61.48 -37.24 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.782 1.628 . . . . 0.0 110.501 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.7 76.58 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.699 1.136 . . . . 0.0 111.712 172.727 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.89 -39.74 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 O-C-N 121.531 -0.731 . . . . 0.0 112.236 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.33 -40.28 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.198 1.799 . . . . 0.0 111.947 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 m -62.68 -39.16 93.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.821 1.191 . . . . 0.0 112.056 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -64.13 -48.97 74.02 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.419 -0.8 . . . . 0.0 110.761 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.6 m -61.18 -42.52 98.72 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.322 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.6 p -70.08 -49.13 54.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.108 0.867 . . . . 0.0 110.955 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -58.71 -33.96 70.77 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.642 1.11 . . . . 0.0 112.979 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.03 -50.27 62.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.54 -25.23 67.93 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.1 mm -52.56 -32.8 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.558 1.143 . . . . 0.0 112.33 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.7 p -152.61 31.85 0.51 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.284 1.034 . . . . 0.0 113.729 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.96 61.61 0.08 OUTLIER Glycine 0 CA--C 1.532 1.125 0 O-C-N 121.275 -0.89 . . . . 0.0 113.566 -168.343 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.93 28.78 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.4 m -67.83 94.79 0.48 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.643 1.577 . . . . 0.0 111.601 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -108.29 -23.4 6.68 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.576 1.084 . . . . 0.0 115.269 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.61 32.99 86.02 Favored Glycine 0 CA--C 1.54 1.603 0 CA-C-N 118.543 1.171 . . . . 0.0 115.532 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 t 76.4 110.26 0.07 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.966 2.507 . . . . 0.0 112.439 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.94 -55.85 8.57 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -167.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -75.26 -15.67 60.5 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.194 0.598 . . . . 0.0 112.389 168.333 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.85 38.34 5.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.822 1.649 . . . . 0.0 113.594 -174.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 42.01 73.9 0.12 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.484 1.914 . . . . 0.0 112.177 -165.327 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.3 m 51.42 41.77 28.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.084 1.753 . . . . 0.0 113.743 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 45.83 60.24 3.26 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.344 1.857 . . . . 0.0 112.389 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 62.8 86.28 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.472 2.309 . . . . 0.0 113.073 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -57.86 78.59 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.377 2.671 . . . . 0.0 113.53 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -161.78 171.72 17.35 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.075 2.15 . . . . 0.0 110.108 174.132 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -146.79 163.44 36.02 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.319 1.048 . . . . 0.0 109.716 166.018 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.99 176.17 0.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.52 1.528 . . . . 0.0 114.101 -172.47 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.876 1.671 . . . . 0.0 111.843 -176.081 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -148.98 156.85 42.86 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.848 2.059 . . . . 0.0 110.308 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 56.06 31.86 18.92 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 113.867 -169.752 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -140.71 -43.59 0.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.713 1.205 . . . . 0.0 113.822 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -77.65 -31.29 52.6 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.35 -0.843 . . . . 0.0 110.509 167.328 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.18 -40.1 70.32 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.662 1.185 . . . . 0.0 112.23 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.34 -29.09 68.66 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.91 -38.23 72.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.836 0.855 . . . . 0.0 111.261 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -77.44 -35.41 53.99 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.972 0.909 . . . . 0.0 111.934 171.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -37.44 87.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 125.367 1.467 . . . . 0.0 110.955 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.39 -49.01 73.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.488 167.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.83 -39.12 80.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 121.198 1.817 . . . . 0.0 113.798 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 15.7 m -79.07 -32.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 177.651 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.58 -42.84 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.708 1.14 . . . . 0.0 110.101 168.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -56.92 -46.48 81.98 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.826 1.65 . . . . 0.0 110.936 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 m -58.5 -43.64 89.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.1 0.864 . . . . 0.0 112.591 172.161 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.89 67.14 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.87 0.759 . . . . 0.0 111.733 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 m -70.99 -39.38 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.324 -0.86 . . . . 0.0 113.26 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -10.91 59.71 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.513 -0.742 . . . . 0.0 112.833 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -18.06 50.37 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.738 -1.226 . . . . 0.0 113.5 166.666 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -94.63 14.85 19.7 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.033 1.333 . . . . 0.0 112.896 169.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.351 7.9 p 74.15 24.71 1.9 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 130.051 3.34 . . . . 0.0 115.719 175.538 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -97.63 64.3 1.79 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -166.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -55.8 -37.69 68.96 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -61.31 -29.97 70.21 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.032 -1.042 . . . . 0.0 112.615 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -67.98 -21.88 65.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -59.35 -27.19 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 169.498 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.51 92.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.143 0.883 . . . . 0.0 111.846 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -62.19 -37.93 87.18 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 0.0 112.121 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.08 -17.81 63.77 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.566 1.075 . . . . 0.0 113.771 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -69.24 -25.81 64.47 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.763 -1.211 . . . . 0.0 112.819 166.448 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.31 56.22 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.098 -1.001 . . . . 0.0 112.468 169.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -34.73 62.61 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.768 1.167 . . . . 0.0 111.789 166.28 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -61.63 -22.75 65.53 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -31.6 70.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.822 1.192 . . . . 0.0 112.644 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.36 -34.92 25.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.52 0.728 . . . . 0.0 111.593 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.9 -22.87 67.07 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 167.19 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.26 73.83 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.609 -1.307 . . . . 0.0 112.074 168.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -62.49 -34.17 76.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.211 -0.931 . . . . 0.0 111.785 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -61.7 -33.57 74.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.155 0.889 . . . . 0.0 113.027 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.85 92.82 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.078 0.854 . . . . 0.0 111.608 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.27 45.28 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.878 0.871 . . . . 0.0 112.394 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.26 -36.32 83.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.378 1.071 . . . . 0.0 112.784 175.313 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.24 -26.82 30.88 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.772 1.629 . . . . 0.0 114.111 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.12 -20.0 63.6 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.517 1.127 . . . . 0.0 113.477 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.7 96.2 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 127.31 2.244 . . . . 0.0 109.416 -176.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -59.97 -20.93 60.28 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -70.28 17.1 0.06 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.643 1.977 . . . . 0.0 114.772 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.0 p -71.79 14.97 0.16 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.25 2.22 . . . . 0.0 115.425 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t 63.21 27.07 15.46 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.596 1.558 . . . . 0.0 113.493 -171.329 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.87 20.04 79.69 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.527 1.061 . . . . 0.0 115.087 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 m -144.27 112.99 6.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.957 1.703 . . . . 0.0 109.895 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 m -50.12 -55.78 13.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.078 0.951 . . . . 0.0 113.486 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -169.38 67.89 0.06 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.965 1.706 . . . . 0.0 109.459 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -55.96 -33.81 65.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.541 -1.35 . . . . 0.0 112.326 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 m -59.02 -48.86 80.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 111.592 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.04 -36.3 48.68 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.08 0.855 . . . . 0.0 112.903 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.75 -50.43 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.254 1.388 . . . . 0.0 110.604 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -65.39 -48.83 71.52 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.0 0.52 . . . . 0.0 111.681 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.62 68.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.365 0.666 . . . . 0.0 112.4 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.86 -43.92 97.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 117.454 -1.26 . . . . 0.0 110.838 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.8 m -53.46 -42.75 67.5 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.552 1.069 . . . . 0.0 111.746 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.34 -32.28 69.93 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.56 -32.09 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.498 1.119 . . . . 0.0 111.106 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.43 -42.98 99.85 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.299 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -52.34 63.06 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.275 -1.515 . . . . 0.0 111.398 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -13.92 22.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.96 -39.63 49.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.989 0.916 . . . . 0.0 112.787 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.91 -0.494 . . . . 0.0 111.785 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 t 65.95 165.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.018 1.727 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.1 m 64.74 -176.68 0.17 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.012 1.325 . . . . 0.0 111.1 -175.027 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.519 HG23 ' H ' ' A' ' 73' ' ' THR . 3.7 t 25.99 -91.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.492 2.717 . . . . 0.0 115.356 169.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' THR . . . . . 0.519 ' H ' HG23 ' A' ' 72' ' ' THR . 27.0 p -75.96 95.34 3.54 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.964 1.705 . . . . 0.0 111.147 169.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.95 -147.58 4.87 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 126.038 1.78 . . . . 0.0 111.16 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.38 45.32 0.1 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.615 1.566 . . . . 0.0 114.089 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.17 35.19 1.91 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.136 1.774 . . . . 0.0 112.212 -170.585 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.04 68.12 3.82 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.861 1.664 . . . . 0.0 112.991 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.14 175.52 6.55 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.373 2.715 . . . . 0.0 112.929 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.96 -22.12 3.65 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 117.74 -1.124 . . . . 0.0 113.69 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.29 -49.13 15.68 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.417 1.917 . . . . 0.0 112.079 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.1 -35.75 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.645 0.778 . . . . 0.0 111.02 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -69.88 -39.79 76.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.432 -0.793 . . . . 0.0 112.466 172.05 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -47.62 84.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.821 -1.562 . . . . 0.0 110.72 174.519 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.25 27.0 m -58.86 -26.57 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 121.228 1.831 . . . . 0.0 113.745 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -65.1 -44.27 89.39 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 121.177 1.808 . . . . 0.0 112.753 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.66 -38.53 25.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.656 -0.652 . . . . 0.0 112.378 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -64.47 -45.51 87.05 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 117.239 -1.362 . . . . 0.0 111.193 177.129 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.5 mm -60.76 -37.9 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 121.044 1.747 . . . . 0.0 110.294 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -53.52 54.57 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 118.843 0.747 . . . . 0.0 112.056 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.9 t -65.2 -30.86 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.417 -0.802 . . . . 0.0 112.569 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.88 -47.86 56.92 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.091 2.156 . . . . 0.0 111.351 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 m -59.62 -40.87 89.0 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.253 -0.905 . . . . 0.0 111.426 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.96 -40.44 78.89 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.081 -0.961 . . . . 0.0 113.336 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.3 p -66.1 -33.64 76.25 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.849 1.659 . . . . 0.0 112.146 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -59.65 -55.85 29.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.519 0.728 . . . . 0.0 111.66 167.061 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.3 m -61.48 -32.2 72.2 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.833 1.197 . . . . 0.0 113.915 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -68.1 -43.73 77.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.5 1.52 . . . . 0.0 111.563 174.211 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.67 60.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 mm -64.29 -14.62 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.188 1.795 . . . . 0.0 112.193 167.446 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.1 m 82.28 32.97 0.09 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.476 2.31 . . . . 0.0 113.167 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -147.57 29.48 1.45 Allowed Glycine 0 CA--C 1.536 1.356 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -173.38 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.97 95.84 2.36 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.543 1.172 . . . . 0.0 112.274 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.2 m -57.8 116.2 3.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.356 1.062 . . . . 0.0 110.162 170.366 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.86 150.18 48.68 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 123.408 0.528 . . . . 0.0 113.083 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.34 163.07 16.99 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.984 1.278 . . . . 0.0 112.911 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.54 15.74 3.8 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.507 1.523 . . . . 0.0 115.016 -173.69 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 52.22 178.14 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.558 1.943 . . . . 0.0 114.156 -162.657 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 60.56 -18.02 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.417 2.287 . . . . 0.0 116.62 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.02 35.94 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 128.17 2.588 . . . . 0.0 115.17 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -143.12 -60.03 0.42 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.232 1.813 . . . . 0.0 109.383 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 p -68.59 -6.02 23.28 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.01 -47.98 81.41 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.296 1.039 . . . . 0.0 113.429 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -161.34 27.6 0.13 Allowed 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.36 91.47 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 O-C-N 120.714 -1.241 . . . . 0.0 113.099 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -162.92 133.99 4.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.013 2.125 . . . . 0.0 108.664 168.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -149.01 92.66 2.0 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.795 0.838 . . . . 0.0 110.891 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.1 m -151.49 99.55 2.63 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.903 1.681 . . . . 0.0 110.629 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.387 1.475 . . . . 0.0 111.487 174.895 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -123.99 178.14 5.44 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.678 1.591 . . . . 0.0 111.53 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.85 33.49 19.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.69 1.196 . . . . 0.0 113.427 -169.019 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -145.41 -54.33 0.29 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.071 0.949 . . . . 0.0 112.801 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.62 -35.02 79.18 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.509 1.05 . . . . 0.0 110.447 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.27 -23.6 67.08 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.508 -1.235 . . . . 0.0 113.108 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -37.2 74.48 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.285 1.857 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -42.47 54.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.87 0.868 . . . . 0.0 112.084 -176.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -64.59 -47.42 78.72 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.278 0.631 . . . . 0.0 110.791 171.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.71 -34.89 79.25 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.165 0.986 . . . . 0.0 112.1 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.86 -54.81 42.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.367 0.985 . . . . 0.0 110.377 169.225 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.97 85.09 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.074 -1.016 . . . . 0.0 112.411 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -39.95 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.597 1.159 . . . . 0.0 112.92 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -71.66 -38.33 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.8 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.79 -32.23 70.43 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.668 1.122 . . . . 0.0 111.705 175.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 m -59.45 -15.65 18.67 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 169.614 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.28 -58.14 2.18 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.429 1.892 . . . . 0.0 110.575 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . 0.404 ' HA ' ' CE2' ' A' ' 80' ' ' PHE . 3.5 t -46.71 -41.03 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 128.424 2.689 . . . . 0.0 112.91 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -104.58 4.9 33.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.332 1.453 . . . . 0.0 112.438 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -60.78 -27.49 68.03 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.039 -1.663 . . . . 0.0 112.816 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -83.2 7.55 15.84 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.606 1.562 . . . . 0.0 113.465 173.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.348 5.9 p 77.3 23.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 129.755 3.222 . . . . 0.0 115.791 174.377 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.95 87.18 6.82 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.5 m -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.102 -0.999 . . . . 0.0 113.475 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.8 m -70.77 -22.99 62.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 114.032 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.7 mttp -71.06 -21.13 62.28 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.615 -1.303 . . . . 0.0 113.466 171.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -28.32 62.31 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.183 0.901 . . . . 0.0 112.828 171.048 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.51 81.97 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.272 -0.893 . . . . 0.0 113.014 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.61 -19.91 64.47 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.811 0.844 . . . . 0.0 113.003 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.36 -34.66 58.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.36 0.982 . . . . 0.0 113.113 170.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -72.64 -23.08 60.86 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.201 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -31.11 68.09 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.995 -1.065 . . . . 0.0 111.572 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -38.01 78.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.1 -1.0 . . . . 0.0 111.345 169.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 m -59.68 -22.52 62.06 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 172.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -38.5 85.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.96 1.255 . . . . 0.0 111.818 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.16 -49.6 55.34 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.691 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.06 -33.45 74.42 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.121 0.873 . . . . 0.0 112.915 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.71 98.27 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.15 0.886 . . . . 0.0 112.226 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -65.79 -41.06 92.44 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.39 0.676 . . . . 0.0 111.753 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -61.21 -36.79 80.85 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.448 1.499 . . . . 0.0 112.883 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.34 79.79 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.79 1.236 . . . . 0.0 111.314 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.67 54.17 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.69 -19.52 52.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.695 1.198 . . . . 0.0 113.243 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 tp -65.6 -35.16 80.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.227 1.411 . . . . 0.0 111.296 168.041 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.41 -24.54 67.88 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.156 1.382 . . . . 0.0 113.999 -175.68 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mp -131.14 120.14 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.675 1.59 . . . . 0.0 108.013 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.1 m -54.59 -54.98 34.16 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -167.552 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 50.34 -38.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 130.579 3.552 . . . . 0.0 118.439 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.2 t -152.24 68.59 0.87 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 129.515 3.126 . . . . 0.0 108.343 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.8 m 51.02 22.6 1.25 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.832 2.053 . . . . 0.0 115.924 -174.085 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.35 19.68 72.71 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.911 1.243 . . . . 0.0 114.405 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 t -149.47 63.16 1.02 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.631 1.215 . . . . 0.0 112.814 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 p -118.97 8.49 11.65 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.862 1.665 . . . . 0.0 113.961 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -79.7 -11.41 59.85 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.591 1.556 . . . . 0.0 113.965 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.44 -34.31 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.305 -1.497 . . . . 0.0 112.592 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.0 m -64.78 -35.46 81.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.672 0.789 . . . . 0.0 111.889 168.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.39 -38.93 91.47 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.145 0.884 . . . . 0.0 111.448 172.563 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mm -64.81 -43.54 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.552 1.524 . . . . 0.0 111.131 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -62.26 -45.78 91.76 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 118.534 0.606 . . . . 0.0 111.952 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.0 51.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.669 0.788 . . . . 0.0 111.424 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.25 -47.43 79.64 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 117.417 -1.278 . . . . 0.0 111.92 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -60.42 -30.57 69.7 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 122.134 2.243 . . . . 0.0 112.573 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -50.88 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.09 -1.006 . . . . 0.0 112.353 167.532 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.43 -33.37 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.11 1.323 . . . . 0.0 112.45 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -52.8 -39.42 62.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.627 1.571 . . . . 0.0 111.539 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 m -83.41 -44.96 14.22 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.211 1.004 . . . . 0.0 112.834 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.21 -14.61 61.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.407 1.083 . . . . 0.0 113.541 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -66.57 -27.03 67.41 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.72 1.208 . . . . 0.0 112.678 168.103 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -34.82 33.65 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.486 1.114 . . . . 0.0 112.205 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t 57.07 37.22 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 125.918 1.687 . . . . 0.0 112.645 -177.178 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m -140.35 94.31 2.73 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.79 -1.194 . . . . 0.0 111.181 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m 65.28 -54.86 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.777 2.831 . . . . 0.0 114.354 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.5 p -70.35 98.72 1.45 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.068 2.147 . . . . 0.0 110.339 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.46 -83.9 0.15 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 125.353 1.454 . . . . 0.0 110.082 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t 45.16 29.56 0.53 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.536 1.935 . . . . 0.0 114.909 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.4 t30 49.65 114.59 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.631 2.372 . . . . 0.0 114.302 -155.65 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.06 78.6 0.31 Allowed Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 125.672 1.589 . . . . 0.0 112.363 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.92 178.27 4.21 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.627 2.884 . . . . 0.0 112.805 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -37.01 11.07 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.611 -0.68 . . . . 0.0 112.16 168.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.404 ' CE2' ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -68.09 -26.8 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.289 1.035 . . . . 0.0 113.082 -178.61 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.24 -45.99 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.434 1.015 . . . . 0.0 110.386 167.077 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -40.73 97.34 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.847 0.459 . . . . 0.0 111.501 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -57.74 -57.21 13.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.436 1.495 . . . . 0.0 109.975 168.71 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.4 -39.27 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.123 1.369 . . . . 0.0 113.91 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -39.22 85.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.015 1.28 . . . . 0.0 111.955 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.3 m -82.69 -40.38 20.71 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.285 1.034 . . . . 0.0 112.026 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -29.57 68.96 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.847 -1.158 . . . . 0.0 113.538 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.88 -41.84 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.482 1.492 . . . . 0.0 110.997 168.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.96 85.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.378 0.535 . . . . 0.0 111.566 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.71 -33.84 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.11 -0.994 . . . . 0.0 111.7 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.89 -53.12 55.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.281 1.4 . . . . 0.0 111.457 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -65.5 -39.14 91.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.695 0.68 . . . . 0.0 112.055 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -66.14 -37.91 86.84 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.873 171.496 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m -60.6 -41.99 95.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.346 1.884 . . . . 0.0 111.9 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.2 m -61.55 -48.29 81.66 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.608 0.64 . . . . 0.0 111.88 172.244 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.3 m -63.76 -33.04 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -74.83 -26.13 59.49 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.65 1.18 . . . . 0.0 111.24 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.16 60.23 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.415 -1.428 . . . . 0.0 113.503 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.17 -45.2 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.414 1.006 . . . . 0.0 110.627 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.0 m -150.02 87.77 1.49 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.389 1.476 . . . . 0.0 111.604 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 164.27 -41.1 0.31 Allowed Glycine 0 CA--C 1.538 1.526 0 N-CA-C 115.565 0.986 . . . . 0.0 115.565 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 53.77 97.93 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 128.081 2.552 . . . . 0.0 115.689 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.5 p -119.15 -34.15 3.95 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -173.256 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 88.57 90.36 1.13 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.478 1.037 . . . . 0.0 112.986 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.55 -57.91 16.58 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.445 1.021 . . . . 0.0 115.148 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.74 62.4 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.783 2.833 . . . . 0.0 111.624 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.31 27.89 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 125.44 1.496 . . . . 0.0 114.852 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.23 -15.46 61.93 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.532 1.533 . . . . 0.0 115.067 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 44.02 50.1 7.3 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.597 1.559 . . . . 0.0 114.122 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.261 25.2 pt20 46.22 46.78 13.39 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.581 1.952 . . . . 0.0 114.575 -173.703 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t 70.32 47.49 0.53 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.194 1.798 . . . . 0.0 112.175 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 46.03 51.79 10.58 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.135 2.174 . . . . 0.0 113.984 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.47 41.36 2.21 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.584 1.554 . . . . 0.0 112.843 -174.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -98.23 102.13 13.78 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.759 1.224 . . . . 0.0 111.734 174.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -164.75 128.16 2.4 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.325 1.45 . . . . 0.0 110.167 162.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -160.29 -52.17 0.05 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.738 0.699 . . . . 0.0 112.123 170.316 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 m -152.48 136.03 16.05 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.909 2.084 . . . . 0.0 109.907 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.755 1.622 . . . . 0.0 112.36 -178.249 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -56.38 -25.64 50.36 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 118.784 1.292 . . . . 0.0 114.043 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -55.07 -21.3 12.08 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 171.365 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -59.5 -26.32 65.19 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -99.12 -33.75 10.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 111.014 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 59.3 m-20 -57.63 -41.23 80.92 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.817 177.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.01 -30.12 58.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.919 1.236 . . . . 0.0 114.145 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.1 -33.89 24.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.738 0.815 . . . . 0.0 111.146 -177.66 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.5 -38.34 80.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.438 1.095 . . . . 0.0 111.23 166.439 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . 0.419 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -60.99 -41.15 95.91 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 123.666 0.787 . . . . 0.0 110.667 172.106 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 1.76 0.4 Allowed 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -108.44 -46.86 3.61 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.464 1.484 . . . . 0.0 111.963 168.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.419 HG22 ' HA ' ' A' ' 10' ' ' LEU . 11.7 m -68.54 -37.95 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.309 -0.869 . . . . 0.0 111.953 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.42 -47.86 87.65 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.03 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.14 -47.44 68.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.619 1.554 . . . . 0.0 111.451 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 t -57.05 -40.99 77.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.655 0.782 . . . . 0.0 112.652 172.186 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.24 -53.29 12.97 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.946 1.298 . . . . 0.0 113.885 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.75 -24.69 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.658 1.583 . . . . 0.0 112.761 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.0 m -99.94 -5.8 27.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.786 1.234 . . . . 0.0 111.951 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -26.02 59.88 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.5 -1.375 . . . . 0.0 113.233 171.725 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -94.87 19.83 9.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.394 2.278 . . . . 0.0 112.757 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.277 4.0 p 66.5 8.88 6.1 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 128.781 2.832 . . . . 0.0 116.02 173.52 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -79.36 95.82 5.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 112.292 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -57.35 -32.29 66.6 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 120.873 -1.142 . . . . 0.0 112.745 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -69.41 -20.08 63.8 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.937 -1.102 . . . . 0.0 113.384 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -23.76 66.69 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 119.76 -1.837 . . . . 0.0 112.999 172.425 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.69 71.66 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.902 0.773 . . . . 0.0 112.831 167.238 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -31.16 71.53 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 112.036 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -30.18 66.72 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 117.942 -1.028 . . . . 0.0 113.041 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.52 -26.76 22.32 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 120.049 1.295 . . . . 0.0 113.864 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -28.97 70.23 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 171.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.73 -28.99 67.32 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.279 1.032 . . . . 0.0 111.859 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -35.15 74.68 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.953 -1.092 . . . . 0.0 110.484 168.562 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -66.24 -13.5 60.46 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.364 -1.46 . . . . 0.0 114.394 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.39 -29.45 63.76 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.538 -1.351 . . . . 0.0 111.935 168.746 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.74 98.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.637 -0.664 . . . . 0.0 110.3 170.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.9 -31.74 65.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.136 1.375 . . . . 0.0 112.845 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.96 82.67 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.68 0.673 . . . . 0.0 112.723 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -72.08 -41.53 67.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.378 0.671 . . . . 0.0 111.35 169.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -57.68 -36.31 71.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.738 0.815 . . . . 0.0 113.164 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -44.05 50.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.034 1.334 . . . . 0.0 112.179 171.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.21 -34.04 29.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.657 0.783 . . . . 0.0 112.484 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.39 -27.65 69.45 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.2 -0.938 . . . . 0.0 112.991 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -67.87 -31.64 71.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 112.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.0 tp -65.41 -42.47 92.49 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.954 0.902 . . . . 0.0 111.271 170.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.6 mt -75.98 168.81 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 C-N-CA 126.403 1.881 . . . . 0.0 109.133 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.0 m -64.24 117.32 7.02 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 119.989 -1.695 . . . . 0.0 111.055 167.405 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.15 9.25 0.6 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 174.378 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 t 57.93 54.57 5.97 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.518 -1.363 . . . . 0.0 112.901 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t 66.73 28.4 9.02 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.861 1.664 . . . . 0.0 114.168 -177.088 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.26 28.54 17.11 Favored Glycine 0 CA--C 1.533 1.2 0 O-C-N 121.223 -0.923 . . . . 0.0 114.582 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 m -104.76 77.82 1.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 127.147 2.179 . . . . 0.0 108.883 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -47.17 -49.71 21.99 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.372 1.069 . . . . 0.0 111.666 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER 165.34 69.0 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.68 1.992 . . . . 0.0 113.586 -174.317 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -49.1 -36.97 20.15 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.698 -1.876 . . . . 0.0 113.601 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.5 m -64.22 -42.9 96.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.474 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.58 -42.64 77.97 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.926 1.239 . . . . 0.0 111.412 175.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.84 -49.97 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.242 1.383 . . . . 0.0 110.477 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -66.84 -41.39 87.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.428 0.558 . . . . 0.0 112.479 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.17 -52.88 56.86 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 123.75 0.82 . . . . 0.0 111.947 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.96 -42.96 99.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.52 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.0 m -54.0 -46.7 71.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 119.885 1.221 . . . . 0.0 112.538 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.49 -38.53 90.03 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.733 0.697 . . . . 0.0 112.165 173.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.97 -29.42 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.155 1.382 . . . . 0.0 112.105 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.46 -39.94 89.39 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.364 1.438 . . . . 0.0 111.151 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -46.66 51.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.68 1.992 . . . . 0.0 111.38 173.912 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.96 -14.75 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 114.391 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.0 t -74.39 -29.05 61.38 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.204 1.002 . . . . 0.0 112.65 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.83 -36.53 4.8 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 t 53.89 55.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.06 1.344 . . . . 0.0 112.07 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -112.05 -82.89 0.59 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.176 1.39 . . . . 0.0 112.216 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 m -107.25 24.09 13.4 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.042 2.137 . . . . 0.0 109.834 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 154.4 38.23 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.59 2.356 . . . . 0.0 110.388 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.19 87.4 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.27 1.414 . . . . 0.0 115.369 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.0 p 46.64 32.29 1.64 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.272 2.229 . . . . 0.0 116.346 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -162.58 -46.02 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.373 1.469 . . . . 0.0 110.934 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -154.09 73.67 6.29 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.332 1.853 . . . . 0.0 108.631 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.95 177.51 4.24 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.331 2.02 . . . . 0.0 110.827 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.75 -26.64 4.03 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -75.15 -38.86 60.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.146 0.978 . . . . 0.0 111.762 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -69.76 -47.23 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.703 1.138 . . . . 0.0 110.84 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -40.33 93.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.558 0.617 . . . . 0.0 112.331 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.07 -44.55 97.21 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 116.59 -1.672 . . . . 0.0 110.81 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.0 t -51.49 -35.68 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 121.323 1.874 . . . . 0.0 113.312 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.46 -46.02 88.14 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.94 2.155 . . . . 0.0 112.998 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.7 m -73.84 -44.7 54.81 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.355 -0.841 . . . . 0.0 111.98 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.39 -46.45 89.94 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-O 116.412 -1.756 . . . . 0.0 110.016 176.606 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mm -59.55 -39.0 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 121.141 1.791 . . . . 0.0 110.339 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.31 88.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.965 1.257 . . . . 0.0 113.073 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.6 t -77.41 -37.85 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 112.425 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -69.28 -45.26 70.07 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 128.072 2.549 . . . . 0.0 111.3 178.371 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.5 p -63.95 -46.91 82.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.848 0.749 . . . . 0.0 110.567 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -68.81 -27.82 66.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.522 -1.227 . . . . 0.0 112.813 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m -68.86 -47.77 65.11 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 121.421 1.919 . . . . 0.0 111.193 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -65.01 -41.29 95.46 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.871 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.1 m -70.07 -32.54 70.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.979 1.263 . . . . 0.0 114.242 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -70.34 -19.99 63.02 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.667 1.187 . . . . 0.0 112.387 168.436 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.69 -24.74 19.4 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.067 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.3 mt -53.95 -42.3 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.645 1.178 . . . . 0.0 111.371 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 t -157.98 59.91 0.47 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.932 0.872 . . . . 0.0 112.653 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.07 -75.11 0.01 OUTLIER Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.193 0.901 . . . . 0.0 112.307 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -158.33 121.81 3.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.248 1.019 . . . . 0.0 112.517 172.629 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.8 p -76.77 79.92 3.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.626 1.97 . . . . 0.0 112.066 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.08 90.06 0.56 Allowed Glycine 0 N--CA 1.476 1.31 0 C-N-CA 125.042 1.306 . . . . 0.0 113.381 -175.277 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.08 -37.31 72.97 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.09 0.852 . . . . 0.0 115.058 -177.297 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.5 m -134.56 69.36 1.46 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.095 1.358 . . . . 0.0 111.281 -174.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -131.19 18.82 4.92 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.209 1.404 . . . . 0.0 113.88 -172.187 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -78.8 -13.57 59.73 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 49.77 33.35 6.18 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.649 1.579 . . . . 0.0 114.374 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.09 -65.71 0.27 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.777 0.831 . . . . 0.0 112.154 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.18 43.22 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.463 1.105 . . . . 0.0 113.26 174.466 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 48.62 60.56 3.59 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.038 1.335 . . . . 0.0 113.1 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 73.28 60.99 0.1 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.151 2.18 . . . . 0.0 112.54 -172.073 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.62 125.36 20.78 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.425 0.69 . . . . 0.0 111.535 174.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -151.43 100.22 2.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.814 0.846 . . . . 0.0 110.812 -177.851 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -155.45 120.02 4.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.857 1.263 . . . . 0.0 110.01 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.3 m 52.55 -66.77 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 128.612 2.765 . . . . 0.0 116.788 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.871 2.068 . . . . 0.0 111.539 -178.837 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 CA-C-O 119.354 -0.692 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -150.8 172.23 15.95 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.508 2.323 . . . . 0.0 108.112 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.261 10.5 pt-20 49.76 10.71 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -176.743 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -150.95 -39.42 0.13 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.728 2.011 . . . . 0.0 112.555 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.55 -33.45 75.08 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.197 -0.94 . . . . 0.0 110.659 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -55.47 -47.97 75.26 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.055 -1.45 . . . . 0.0 112.892 172.059 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -29.1 13.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.521 1.51 . . . . 0.0 113.285 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -67.47 -56.12 10.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.613 1.165 . . . . 0.0 112.376 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -72.63 -39.76 66.97 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.175 -0.953 . . . . 0.0 112.009 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 2.4 tp -55.27 -47.84 74.92 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 126.617 1.967 . . . . 0.0 110.37 172.703 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.16 82.98 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.078 -0.963 . . . . 0.0 111.773 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.85 -46.24 91.36 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.122 1.783 . . . . 0.0 112.431 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 20.0 m -75.1 -30.84 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.478 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.34 -52.77 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.441 1.096 . . . . 0.0 109.886 167.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.7 mp -55.62 -47.16 77.01 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.601 1.561 . . . . 0.0 110.831 176.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.9 m -57.63 -33.57 68.41 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.01 -40.68 18.12 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.479 1.036 . . . . 0.0 113.698 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -68.87 -31.92 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.233 -0.917 . . . . 0.0 112.117 173.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -4.24 51.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.65 1.18 . . . . 0.0 113.221 175.715 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -24.82 65.0 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.786 -1.196 . . . . 0.0 112.593 171.786 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -89.5 24.89 2.12 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.304 1.842 . . . . 0.0 112.287 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.5 p 59.16 19.11 7.09 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 128.825 2.85 . . . . 0.0 116.081 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.19 -43.36 78.26 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -166.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.8 -44.83 0.06 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.437 2.695 . . . . 0.0 116.812 -170.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.2 m -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.64 -1.288 . . . . 0.0 113.648 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -57.72 -17.26 14.22 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 172.428 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.6 m -63.74 -18.66 64.27 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.823 1.192 . . . . 0.0 113.712 165.112 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.65 67.63 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.717 -1.239 . . . . 0.0 112.334 168.683 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -22.32 66.19 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.12 -0.987 . . . . 0.0 113.112 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.92 -30.27 65.78 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 170.166 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.77 -28.82 60.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.334 -0.854 . . . . 0.0 112.037 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.78 -32.92 64.02 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.232 -0.917 . . . . 0.0 112.342 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -55.23 -44.35 75.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.355 1.462 . . . . 0.0 111.86 166.24 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -56.36 -29.8 61.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -34.26 77.59 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.483 -1.386 . . . . 0.0 113.268 173.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.77 47.76 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.22 0.918 . . . . 0.0 109.799 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.39 -32.44 73.26 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.747 1.219 . . . . 0.0 113.178 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.42 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.444 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -60.3 -39.65 87.72 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.505 -0.747 . . . . 0.0 111.172 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -55.03 -34.46 63.52 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.496 1.118 . . . . 0.0 113.651 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -39.08 88.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.095 0.958 . . . . 0.0 111.584 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.03 -34.72 29.39 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.01 0.924 . . . . 0.0 112.339 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.02 70.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.293 1.037 . . . . 0.0 112.604 174.587 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.85 -28.16 69.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.398 1.479 . . . . 0.0 112.719 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.54 -43.96 75.59 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.355 -0.841 . . . . 0.0 112.25 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.1 pt -75.25 166.6 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.828 0.851 . . . . 0.0 111.561 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 t -68.86 -14.37 62.99 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.81 30.56 0.16 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.62 1.968 . . . . 0.0 114.81 -170.261 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.2 p -135.32 39.55 2.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.154 1.782 . . . . 0.0 113.752 -162.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.9 t -130.82 -34.95 1.47 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 -39.77 95.29 Favored Glycine 0 CA--C 1.538 1.482 0 O-C-N 121.256 -0.902 . . . . 0.0 113.398 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -141.45 -90.21 0.15 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.525 1.53 . . . . 0.0 109.265 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.4 p 168.21 -59.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.719 2.408 . . . . 0.0 110.047 -177.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -155.58 7.6 0.24 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.574 1.949 . . . . 0.0 113.631 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -56.95 -32.24 65.81 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.488 -1.382 . . . . 0.0 113.516 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.1 m -56.15 -49.91 72.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.914 0.886 . . . . 0.0 111.737 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.34 -27.15 52.66 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.01 -1.472 . . . . 0.0 112.691 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -37.91 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 121.411 1.914 . . . . 0.0 112.278 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 m -67.09 -46.15 75.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.921 0.888 . . . . 0.0 111.983 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.04 64.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.253 0.621 . . . . 0.0 111.327 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -52.8 -49.34 65.81 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.597 1.959 . . . . 0.0 111.564 175.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -51.05 -51.07 56.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.45 1.1 . . . . 0.0 110.983 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.17 -37.42 87.31 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.988 -0.445 . . . . 0.0 111.533 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.12 -33.98 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.089 1.756 . . . . 0.0 113.31 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.37 -48.56 81.16 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.2 1.363 . . . . 0.0 110.152 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 m -64.12 -56.36 15.4 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.586 1.155 . . . . 0.0 111.699 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.79 -7.96 9.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.541 1.537 . . . . 0.0 114.953 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -47.25 -36.4 8.96 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 112.536 160.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -49.21 7.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.412 1.085 . . . . 0.0 113.221 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.295 2.4 t 47.7 60.95 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 CA-C-O 123.164 1.459 . . . . 0.0 111.862 -175.111 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.7 t -157.08 -44.99 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.457 -1.402 . . . . 0.0 114.474 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -143.57 -39.23 0.31 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.404 1.082 . . . . 0.0 111.628 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -83.3 76.76 9.87 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.429 1.892 . . . . 0.0 110.545 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.01 -66.09 0.16 Allowed Glycine 0 CA--C 1.528 0.864 0 O-C-N 120.864 -1.148 . . . . 0.0 112.638 174.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t 48.2 27.28 1.25 Allowed 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 m120 50.86 110.85 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.126 2.17 . . . . 0.0 113.695 -157.34 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 55.85 75.46 0.59 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 125.41 1.484 . . . . 0.0 112.438 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.36 175.17 8.11 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.226 2.617 . . . . 0.0 111.825 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.79 -34.96 20.97 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.704 0.802 . . . . 0.0 112.963 174.393 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.75 -41.44 91.0 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.58 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.223 1.374 . . . . 0.0 111.351 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -73.23 -37.75 66.27 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.807 -0.558 . . . . 0.0 111.205 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -58.6 -45.17 89.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.063 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.08 -33.76 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 121.194 1.815 . . . . 0.0 113.168 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.54 76.92 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.967 1.258 . . . . 0.0 112.168 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.8 m -80.06 -51.94 8.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.151 0.98 . . . . 0.0 111.492 170.411 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.48 -39.04 89.48 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 117.591 -1.195 . . . . 0.0 112.225 -173.343 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.4 mm -58.59 -39.61 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 120.142 1.337 . . . . 0.0 109.863 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.8 70.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.619 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.44 -39.69 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.321 0.964 . . . . 0.0 111.511 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.77 -48.94 72.67 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.033 2.533 . . . . 0.0 112.26 178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 m -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.412 0.551 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.98 -29.97 70.45 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.642 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 m -67.85 -43.25 79.93 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 121.754 2.07 . . . . 0.0 111.609 174.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -61.31 -49.8 75.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.761 0.424 . . . . 0.0 111.113 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.4 m -63.62 -37.53 87.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.95 -28.98 68.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.059 1.344 . . . . 0.0 112.17 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.45 -16.62 36.58 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 174.104 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.99 -47.85 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.783 1.174 . . . . 0.0 111.193 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.3 p -162.72 21.01 0.09 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.72 -41.37 2.37 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.192 1.377 . . . . 0.0 112.53 -174.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 37.73 37.81 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.583 2.353 . . . . 0.0 116.106 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.2 m -133.64 118.06 17.75 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.654 1.982 . . . . 0.0 108.266 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.61 -31.44 80.77 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 123.824 0.726 . . . . 0.0 113.858 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.88 9.62 85.11 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.786 1.184 . . . . 0.0 115.221 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.2 p -147.19 12.27 1.06 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.343 1.457 . . . . 0.0 114.208 -171.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.75 6.01 4.38 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -73.95 -13.5 60.89 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.601 1.56 . . . . 0.0 114.605 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.84 40.93 7.12 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.182 1.793 . . . . 0.0 114.723 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 46.47 73.01 0.19 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.503 1.921 . . . . 0.0 111.943 -168.32 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 93.3 p 43.52 37.21 1.38 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.691 1.996 . . . . 0.0 114.676 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 48.62 50.91 16.42 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.321 1.849 . . . . 0.0 113.446 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.34 -61.38 1.54 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.641 1.176 . . . . 0.0 112.969 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 40.41 52.67 2.95 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.07 2.148 . . . . 0.0 115.787 173.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.2 178.72 8.02 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.688 1.195 . . . . 0.0 111.97 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -137.33 113.32 9.77 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.221 1.008 . . . . 0.0 110.751 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.5 p -154.6 -35.63 0.1 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.251 1.42 . . . . 0.0 113.947 -171.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 128.023 2.529 . . . . 0.0 114.499 -179.48 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 CA-C-O 119.238 -0.757 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m 66.51 2.37 2.46 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 126.699 1.999 . . . . 0.0 115.989 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -164.38 -43.32 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.144 2.578 . . . . 0.0 109.445 161.651 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.3 pt20 -81.5 -11.6 59.14 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -108.59 8.21 27.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.528 1.531 . . . . 0.0 111.257 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -144.31 43.57 1.41 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.869 3.268 . . . . 0.0 107.78 -171.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -128.94 -36.24 1.8 Allowed 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 127.047 2.139 . . . . 0.0 109.894 167.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -83.94 -55.14 4.39 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.9 0.773 . . . . 0.0 110.483 -174.714 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.31 -38.82 88.62 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.838 0.855 . . . . 0.0 111.756 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -40.31 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.212 0.605 . . . . 0.0 111.525 175.814 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.66 88.14 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.888 168.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -60.69 -42.57 97.42 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.89 2.132 . . . . 0.0 112.501 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 3.0 m -77.81 -32.46 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.648 1.113 . . . . 0.0 113.409 177.126 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.64 -40.77 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.334 1.425 . . . . 0.0 110.102 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -46.61 83.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.009 1.277 . . . . 0.0 110.259 170.233 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -57.22 -47.83 80.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.381 0.672 . . . . 0.0 112.27 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.89 68.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.711 1.204 . . . . 0.0 112.721 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -72.18 -23.35 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.731 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.18 -7.32 36.06 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.496 1.043 . . . . 0.0 112.9 174.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -14.15 30.69 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.138 1.375 . . . . 0.0 113.5 169.778 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 8.6 m-80 -110.37 22.44 15.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.722 1.609 . . . . 0.0 111.896 171.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.9 p 56.48 19.4 4.1 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.96 2.904 . . . . 0.0 116.491 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.67 -38.75 75.64 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.88 -50.25 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.856 2.462 . . . . 0.0 115.109 -166.657 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 m -63.53 -28.34 69.88 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.194 1.397 . . . . 0.0 113.24 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -16.45 64.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.261 1.024 . . . . 0.0 113.344 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -61.7 -41.25 97.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.039 1.335 . . . . 0.0 112.628 165.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.42 74.5 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.297 -0.877 . . . . 0.0 111.079 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -40.19 75.37 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 118.524 0.602 . . . . 0.0 111.896 175.274 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.87 11.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -25.73 66.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.758 1.617 . . . . 0.0 112.669 167.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.31 69.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.447 -0.783 . . . . 0.0 112.416 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -37.32 72.44 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.46 1.027 . . . . 0.0 110.743 170.052 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -66.84 -19.92 65.83 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -29.51 70.39 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.631 -1.293 . . . . 0.0 111.74 169.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.28 82.21 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.304 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -56.99 -45.64 82.83 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.922 1.237 . . . . 0.0 110.383 174.434 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.04 83.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.973 0.909 . . . . 0.0 111.994 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -65.46 -45.91 81.89 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.424 0.69 . . . . 0.0 112.078 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -61.55 -32.5 72.58 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.289 1.436 . . . . 0.0 113.433 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.27 73.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.045 0.938 . . . . 0.0 111.307 169.117 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.62 -26.61 41.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.913 0.885 . . . . 0.0 113.02 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -28.83 63.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.094 0.958 . . . . 0.0 112.566 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.19 -27.12 68.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.171 1.789 . . . . 0.0 113.158 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.5 -34.02 68.64 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.265 1.426 . . . . 0.0 112.637 169.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.6 mt -99.98 168.63 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 127.735 2.414 . . . . 0.0 107.96 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.8 m -63.76 -72.55 0.14 Allowed 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.111 -1.618 . . . . 0.0 111.918 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 47.63 11.28 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.188 2.195 . . . . 0.0 116.624 -174.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.8 m -64.95 -52.08 58.29 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.536 -1.353 . . . . 0.0 113.151 -169.65 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 t -79.09 -16.73 56.33 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.625 0.77 . . . . 0.0 112.4 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.32 -23.32 78.2 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.699 1.143 . . . . 0.0 113.89 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.6 p 43.24 32.77 0.5 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.821 2.448 . . . . 0.0 115.285 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.0 t -55.11 -35.61 64.83 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.615 1.166 . . . . 0.0 113.538 -171.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -53.99 -48.84 69.97 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.479 0.712 . . . . 0.0 112.661 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.26 -45.85 79.1 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.614 -0.678 . . . . 0.0 110.924 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.3 m -59.06 -38.34 79.15 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.84 0.856 . . . . 0.0 112.244 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -77.35 -38.32 50.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.32 1.048 . . . . 0.0 112.155 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.14 -39.99 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.212 1.369 . . . . 0.0 111.198 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.7 m -61.1 -52.79 63.41 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.443 1.019 . . . . 0.0 112.089 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.06 75.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.59 0.756 . . . . 0.0 111.247 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.62 -49.8 61.24 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 117.037 -1.458 . . . . 0.0 111.813 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 t -59.75 -32.83 70.93 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.0 1.727 . . . . 0.0 112.571 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -78.7 -31.37 46.53 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.029 -1.044 . . . . 0.0 113.22 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.98 -30.48 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.453 -1.404 . . . . 0.0 111.652 168.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.7 -44.11 97.56 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.826 1.194 . . . . 0.0 109.787 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -49.4 76.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.829 1.652 . . . . 0.0 112.576 170.833 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.41 -5.88 45.01 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.47 -28.31 59.19 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.647 -1.283 . . . . 0.0 111.534 167.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -98.19 -46.14 5.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.751 0.821 . . . . 0.0 112.204 -177.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.263 85.3 t 54.29 54.08 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 123.132 1.444 . . . . 0.0 112.274 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' THR . . . . . 0.537 HG22 ' H ' ' A' ' 72' ' ' THR . 8.5 m -139.29 -145.98 0.2 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.448 1.899 . . . . 0.0 107.91 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' THR . . . . . 0.537 ' H ' HG22 ' A' ' 71' ' ' THR . 62.0 m -52.76 -29.76 29.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.313 1.845 . . . . 0.0 113.702 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 27.2 p -95.45 43.79 1.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.121 0.968 . . . . 0.0 111.534 -155.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.35 -62.64 0.04 OUTLIER Glycine 0 CA--C 1.532 1.123 0 C-N-CA 126.025 1.774 . . . . 0.0 113.058 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t 45.82 28.88 0.63 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.457 1.903 . . . . 0.0 115.686 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 60.71 110.68 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.921 2.488 . . . . 0.0 113.389 -170.532 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 58.71 79.96 0.29 Allowed Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.956 1.302 . . . . 0.0 111.13 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.84 169.5 18.86 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.624 2.216 . . . . 0.0 112.087 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.62 -27.91 7.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.852 165.625 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -40.1 88.04 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.943 1.247 . . . . 0.0 111.888 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -40.61 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.721 0.691 . . . . 0.0 111.44 177.82 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 t -68.34 -41.71 80.36 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.05 0.54 . . . . 0.0 110.99 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -60.95 -42.73 98.81 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 115.968 -1.968 . . . . 0.0 111.379 167.277 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.2 t -48.45 -43.09 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 121.369 1.895 . . . . 0.0 112.903 177.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.39 98.93 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.129 0.877 . . . . 0.0 112.764 177.713 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -72.96 -39.36 66.22 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.557 1.543 . . . . 0.0 112.464 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 1.7 tp -52.81 -49.43 65.66 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 127.28 2.232 . . . . 0.0 110.426 170.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.69 -38.49 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 119.209 0.913 . . . . 0.0 110.853 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.4 69.11 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.757 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.24 -37.36 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 111.923 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -63.32 -48.81 76.46 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.73 2.012 . . . . 0.0 111.111 174.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -59.4 -39.74 84.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.459 0.572 . . . . 0.0 111.264 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -68.87 -34.45 75.47 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.84 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -63.03 -44.82 94.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.22 1.827 . . . . 0.0 111.92 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -61.41 -48.83 79.42 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.569 0.622 . . . . 0.0 111.383 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.6 m -67.64 -28.61 67.86 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -70.32 -38.71 74.99 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.586 1.154 . . . . 0.0 111.518 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.34 -22.56 61.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -47.69 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.361 0.982 . . . . 0.0 110.782 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.77 -36.9 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.861 1.265 . . . . 0.0 114.141 170.647 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.11 70.23 0.34 Allowed Glycine 0 N--CA 1.476 1.32 0 CA-C-N 119.16 0.891 . . . . 0.0 113.747 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -141.02 37.18 1.75 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.455 1.102 . . . . 0.0 113.35 -171.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.1 t -147.7 -48.25 0.17 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.571 1.322 . . . . 0.0 114.571 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.25 -163.76 28.07 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.372 0.987 . . . . 0.0 112.551 -173.162 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.98 -81.92 0.08 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.305 0.955 . . . . 0.0 112.556 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 m -152.35 53.6 0.79 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.006 1.322 . . . . 0.0 112.423 -175.509 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.47 47.07 0.07 Allowed 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 125.854 1.662 . . . . 0.0 114.678 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -94.89 -7.0 41.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.526 1.93 . . . . 0.0 114.0 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 50.06 31.77 5.2 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.112 1.765 . . . . 0.0 114.96 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -148.38 -49.24 0.16 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.535 1.534 . . . . 0.0 111.598 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.43 16.14 12.47 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.463 1.505 . . . . 0.0 114.047 -173.698 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.79 14.55 4.37 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.868 1.667 . . . . 0.0 112.946 -173.393 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -147.51 -46.78 0.17 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.785 1.234 . . . . 0.0 113.453 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 58.09 174.82 0.06 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.13 1.772 . . . . 0.0 114.47 -173.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 52.99 -179.15 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.945 1.698 . . . . 0.0 115.015 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -66.62 166.45 12.82 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.991 -1.068 . . . . 0.0 112.659 165.659 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.9 p -152.03 158.77 43.51 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.332 1.453 . . . . 0.0 111.207 167.196 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.386 1.474 . . . . 0.0 111.32 -177.095 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.338 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -136.61 -46.99 0.61 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.49 1.516 . . . . 0.0 112.108 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.0 tp60 -68.8 -32.79 72.76 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.353 -0.842 . . . . 0.0 110.574 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -58.56 -25.33 62.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.599 1.159 . . . . 0.0 112.437 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.95 -38.0 46.26 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.465 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -35.67 79.06 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.155 0.582 . . . . 0.0 111.568 168.548 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -65.21 -39.9 93.41 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.587 -0.696 . . . . 0.0 111.48 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -60.13 -38.55 83.41 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.037 176.115 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.98 75.1 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.082 0.856 . . . . 0.0 111.484 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -34.65 78.13 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.93 . . . . 0.0 113.363 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -80.89 -33.63 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.708 0.803 . . . . 0.0 112.693 -176.095 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.5 mt -69.78 -37.34 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.432 -0.792 . . . . 0.0 109.381 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -40.65 72.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.882 1.219 . . . . 0.0 112.048 169.642 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -60.37 -21.91 62.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 170.763 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.34 -54.51 4.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.248 1.019 . . . . 0.0 111.857 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -67.93 -38.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.025 -1.047 . . . . 0.0 113.361 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -78.75 -6.63 56.4 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.198 0.999 . . . . 0.0 112.098 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -62.47 -23.66 67.02 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.392 -1.443 . . . . 0.0 112.99 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.47 7.21 14.93 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.826 1.25 . . . . 0.0 113.431 170.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.327 10.1 p 68.85 16.07 8.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 129.908 3.283 . . . . 0.0 115.236 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -71.11 107.5 4.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.465 1.506 . . . . 0.0 112.999 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -67.35 -39.99 85.79 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.416 -1.427 . . . . 0.0 111.889 170.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.5 m -62.74 -22.74 66.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.64 -21.91 63.25 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.342 1.057 . . . . 0.0 113.311 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -68.08 -22.89 64.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.385 -0.822 . . . . 0.0 113.062 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.86 73.36 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.637 -1.289 . . . . 0.0 111.957 167.808 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 65' ' ' LEU . 59.9 mmt-85 -66.93 -18.33 65.33 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 173.889 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.5 -40.2 62.13 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.525 1.057 . . . . 0.0 112.402 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -68.31 -29.02 67.68 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.357 1.063 . . . . 0.0 112.768 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.4 -39.98 37.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.853 0.861 . . . . 0.0 111.899 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.29 -37.16 64.45 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.757 1.223 . . . . 0.0 111.59 169.197 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 m -57.04 -23.12 44.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -27.49 62.73 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.643 -1.286 . . . . 0.0 112.864 172.643 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.89 86.13 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.957 -1.089 . . . . 0.0 111.437 169.337 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -43.91 72.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.727 1.211 . . . . 0.0 111.562 173.125 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.34 72.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -39.4 61.38 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.716 0.807 . . . . 0.0 112.519 175.017 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.8 m -60.34 -39.63 87.8 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.89 -1.131 . . . . 0.0 112.522 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.94 -50.12 74.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.588 1.555 . . . . 0.0 111.33 167.478 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.12 69.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -22.89 67.09 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -33.56 74.18 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.9 1.227 . . . . 0.0 112.161 171.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 124.659 1.184 . . . . 0.0 112.915 177.391 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -52.19 -40.57 61.69 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.474 -1.392 . . . . 0.0 113.534 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -63.46 -47.29 82.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.193 0.906 . . . . 0.0 112.215 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -44.66 77.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.826 0.85 . . . . 0.0 111.282 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -62.14 -45.6 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.862 0.865 . . . . 0.0 111.417 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -62.3 -48.13 81.24 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.917 0.887 . . . . 0.0 112.496 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -50.68 72.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.66 -0.65 . . . . 0.0 111.798 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.66 -41.36 96.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.672 -1.156 . . . . 0.0 111.478 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.9 m -51.8 -41.07 61.42 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.581 1.152 . . . . 0.0 111.311 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -74.49 -32.36 62.51 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.361 1.064 . . . . 0.0 113.234 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.02 -33.54 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 120.234 -1.541 . . . . 0.0 111.674 168.014 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 29' ' ' ARG . 1.9 mt -63.72 -42.08 97.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.438 1.017 . . . . 0.0 110.451 172.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -56.24 -46.57 79.52 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.437 -0.789 . . . . 0.0 112.422 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -66.82 -3.06 5.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 t -67.25 -33.05 74.5 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.347 -1.471 . . . . 0.0 112.228 166.703 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -34.64 10.16 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -168.738 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t 41.01 69.56 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 127.041 2.136 . . . . 0.0 112.708 174.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 t -152.94 -56.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 t -151.45 9.9 0.56 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.852 1.261 . . . . 0.0 112.136 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.82 16.73 0.65 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.326 2.25 . . . . 0.0 114.978 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.92 60.64 6.26 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.422 1.011 . . . . 0.0 113.367 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 m -58.82 10.92 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -174.069 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -148.43 128.24 13.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.719 2.408 . . . . 0.0 108.049 166.085 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 34.78 63.51 1.96 Allowed Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 126.848 2.059 . . . . 0.0 114.627 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 168.53 15.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.783 2.322 . . . . 0.0 113.08 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.16 -29.96 15.31 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.805 168.003 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.65 -42.83 67.07 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.714 1.143 . . . . 0.0 112.819 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.1 -40.87 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.743 0.817 . . . . 0.0 110.728 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -62.5 -39.74 94.47 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.674 -0.641 . . . . 0.0 111.904 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -60.76 -49.99 75.25 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 117.414 -1.279 . . . . 0.0 111.28 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.3 m -60.73 -39.09 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 120.171 1.35 . . . . 0.0 111.929 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.67 90.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.974 1.261 . . . . 0.0 113.058 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.5 m -78.12 -46.82 19.67 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.392 0.542 . . . . 0.0 112.26 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -31.66 72.46 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.413 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.24 -35.02 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 120.737 1.608 . . . . 0.0 110.825 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.67 90.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.567 1.076 . . . . 0.0 112.267 172.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 t -68.17 -43.84 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.712 0.805 . . . . 0.0 111.548 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.99 -42.15 98.83 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.68 1.592 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.1 m -56.6 -39.71 74.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.902 1.228 . . . . 0.0 111.996 171.017 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -49.06 70.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.142 0.883 . . . . 0.0 111.244 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -62.37 -37.77 86.98 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.484 1.114 . . . . 0.0 113.724 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -71.04 -50.2 36.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.437 1.095 . . . . 0.0 111.038 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.1 m -61.05 -32.24 71.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.078 1.308 . . . . 0.0 112.799 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.74 -45.69 91.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.977 0.911 . . . . 0.0 111.406 168.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.89 72.82 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.4 mm -63.5 -42.8 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.325 0.966 . . . . 0.0 111.789 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 124.494 1.117 . . . . 0.0 112.39 -178.857 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 CA--C 1.551 1.005 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -135.53 -54.36 0.78 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.823 1.249 . . . . 0.0 112.637 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -78.76 -39.26 36.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.783 0.833 . . . . 0.0 109.742 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.47 26.43 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 130.113 3.365 . . . . 0.0 113.261 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -52.95 0.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.631 1.972 . . . . 0.0 109.879 -174.67 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -75.25 -45.05 42.55 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.608 1.094 . . . . 0.0 110.966 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.59 -40.15 92.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.323 -0.86 . . . . 0.0 111.405 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HA ' HG12 ' A' ' 13' ' ' VAL . 4.6 tp -69.04 -36.58 77.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.871 -0.518 . . . . 0.0 112.129 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.47 69.85 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 0.0 110.492 171.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.23 94.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.366 0.985 . . . . 0.0 112.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 10' ' ' LEU . 1.8 p -76.54 -34.1 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.362 -0.836 . . . . 0.0 112.588 -177.683 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.78 -40.61 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.442 -0.786 . . . . 0.0 110.335 168.235 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.45 -48.06 75.07 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.483 1.038 . . . . 0.0 111.527 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -56.19 -42.69 77.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.182 0.901 . . . . 0.0 112.834 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.82 70.18 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -71.43 -42.08 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 120.863 -1.148 . . . . 0.0 111.93 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.8 p -78.75 -10.04 59.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.487 1.115 . . . . 0.0 113.98 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -15.07 7.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.94 1.296 . . . . 0.0 113.907 169.517 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -110.49 20.74 17.41 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.033 1.733 . . . . 0.0 112.025 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 5.1 t 55.48 45.43 25.13 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.943 2.497 . . . . 0.0 115.16 176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -121.33 86.05 2.51 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.176 1.39 . . . . 0.0 112.258 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 m -57.96 -41.23 82.42 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 120.869 -1.144 . . . . 0.0 113.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -59.67 -24.45 63.92 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.543 1.137 . . . . 0.0 113.715 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -67.31 -25.04 65.83 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.626 1.57 . . . . 0.0 112.791 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -68.67 -35.47 77.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.947 0.899 . . . . 0.0 112.245 168.561 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.43 73.62 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.899 -1.126 . . . . 0.0 112.057 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -63.7 -38.89 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.355 -0.84 . . . . 0.0 111.635 168.762 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.05 -15.43 32.36 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -65.0 -25.05 67.69 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.93 -1.106 . . . . 0.0 112.901 167.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.35 -33.03 63.01 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.984 -1.072 . . . . 0.0 112.809 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -38.23 66.23 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.795 0.838 . . . . 0.0 110.789 168.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.1 m -58.99 -26.51 64.55 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.679 -1.263 . . . . 0.0 114.297 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.08 74.98 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.431 1.014 . . . . 0.0 112.01 173.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.53 94.97 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.693 -0.629 . . . . 0.0 110.696 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.01 -32.48 69.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.846 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.78 94.58 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.469 -0.769 . . . . 0.0 112.221 167.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -63.83 -38.38 90.87 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.278 -0.889 . . . . 0.0 112.122 170.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.9 m -58.98 -30.41 67.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.047 -1.033 . . . . 0.0 113.548 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -39.27 85.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.115 0.966 . . . . 0.0 111.647 173.552 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.1 -39.66 48.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.316 0.646 . . . . 0.0 112.009 173.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.84 -35.46 72.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.826 0.85 . . . . 0.0 113.075 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -56.58 -23.31 39.65 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.448 1.899 . . . . 0.0 114.403 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 CA--C 1.545 0.772 0 O-C-N 121.191 -0.943 . . . . 0.0 112.676 172.924 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 p90 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.62 -43.52 84.51 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.602 1.092 . . . . 0.0 111.785 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.8 m -59.92 -40.68 89.66 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.397 -0.815 . . . . 0.0 111.128 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -61.13 -60.13 4.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.29 -31.6 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.812 1.642 . . . . 0.0 113.253 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.0 m -66.12 -43.12 88.05 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.062 1.755 . . . . 0.0 111.736 173.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.17 30.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.434 0.694 . . . . 0.0 111.732 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.86 -38.65 86.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.535 -0.745 . . . . 0.0 112.274 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.8 m -57.65 -51.65 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.15 1.341 . . . . 0.0 111.225 173.514 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.58 -35.72 78.64 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.266 0.939 . . . . 0.0 112.445 174.46 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.54 -26.53 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -38.32 84.84 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.495 1.498 . . . . 0.0 112.424 174.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.8 p -86.22 -36.6 19.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.492 1.042 . . . . 0.0 112.839 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.57 -21.19 63.64 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 m -75.23 -36.76 61.3 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.054 -1.029 . . . . 0.0 112.661 167.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -79.23 -38.27 36.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.6 t 64.62 -49.26 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 129.025 2.93 . . . . 0.0 115.164 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.7 p -67.54 143.75 55.97 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.6 m 61.19 -38.4 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.823 2.449 . . . . 0.0 116.673 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -120.67 14.06 11.72 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.138 1.335 . . . . 0.0 113.651 -171.413 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.28 -1.61 43.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.315 1.436 . . . . 0.0 115.883 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -56.67 110.56 0.81 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.287 1.543 . . . . 0.0 109.864 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -53.72 134.15 41.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.895 0.878 . . . . 0.0 111.794 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 43.68 67.58 3.69 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.349 1.46 . . . . 0.0 112.778 -169.382 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.19 178.64 5.22 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.44 2.76 . . . . 0.0 111.898 -174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -30.71 16.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -42.77 99.1 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.865 1.666 . . . . 0.0 113.733 171.131 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 t -70.73 -37.29 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.572 -1.33 . . . . 0.0 111.278 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -65.17 -35.11 80.07 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.264 -0.897 . . . . 0.0 112.2 169.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -58.52 -49.29 77.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 116.847 -1.549 . . . . 0.0 110.214 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.259 31.1 m -62.49 -39.22 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 121.147 1.794 . . . . 0.0 112.335 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -41.91 90.49 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 120.373 1.442 . . . . 0.0 112.956 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -79.1 -43.96 23.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.93 0.892 . . . . 0.0 112.393 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.45 -36.83 81.96 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.708 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.7 mm -59.59 -36.88 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 120.296 1.407 . . . . 0.0 110.633 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.47 81.22 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.369 0.986 . . . . 0.0 111.65 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.44 -31.09 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.387 1.075 . . . . 0.0 112.671 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -79.76 -46.52 16.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.64 2.376 . . . . 0.0 111.582 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.3 m -61.04 -39.77 91.09 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.118 -0.989 . . . . 0.0 110.76 169.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -66.5 -40.05 89.05 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 117.237 -1.363 . . . . 0.0 113.37 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.0 p -63.67 -36.59 84.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 121.883 2.128 . . . . 0.0 112.038 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.5 m -60.78 -53.53 56.3 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.631 0.772 . . . . 0.0 111.896 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -64.98 -30.23 71.2 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.43 -38.79 71.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.333 1.453 . . . . 0.0 111.262 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.25 -26.88 65.9 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.4 mm -60.45 -44.37 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.234 0.925 . . . . 0.0 111.39 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 172.185 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.328 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -139.04 -47.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.387 1.075 . . . . 0.0 113.063 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.63 -29.9 70.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.148 1.34 . . . . 0.0 111.356 166.219 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -57.06 -34.25 68.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.005 0.922 . . . . 0.0 112.343 170.181 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.32 77.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.198 1.363 . . . . 0.0 112.956 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -40.63 70.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.249 0.619 . . . . 0.0 111.15 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.46 -44.6 86.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.864 -0.523 . . . . 0.0 111.344 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.11 -46.0 82.98 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.74 170.314 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.57 72.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.807 1.639 . . . . 0.0 112.301 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -63.51 -46.84 84.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.083 1.31 . . . . 0.0 113.107 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 87' ' ' LEU . 30.9 m -77.02 -31.82 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.85 -49.1 84.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-O 116.85 -1.548 . . . . 0.0 108.526 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -49.55 -49.08 47.74 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.805 1.639 . . . . 0.0 112.139 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -66.58 -4.06 7.78 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.77 -45.11 2.9 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.96 1.704 . . . . 0.0 112.388 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 ' CE2' ' A' ' 80' ' ' PHE . 28.8 m -62.48 -37.1 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.118 1.367 . . . . 0.0 112.151 171.711 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -95.97 -0.93 50.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.83 1.252 . . . . 0.0 111.962 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -57.76 -33.23 68.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.78 -1.2 . . . . 0.0 113.265 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -78.02 -76.63 0.18 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.047 0.939 . . . . 0.0 110.338 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.7 t 169.19 115.17 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.187 2.595 . . . . 0.0 109.429 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -163.15 -53.78 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.653 0.781 . . . . 0.0 112.767 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 67.0 -39.47 0.36 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.285 2.234 . . . . 0.0 115.457 -176.052 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.8 m -68.06 -23.05 64.91 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.368 -1.457 . . . . 0.0 112.947 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -53.68 -23.5 11.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.501 1.921 . . . . 0.0 114.176 169.044 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.91 -35.78 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.119 0.872 . . . . 0.0 113.241 167.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.81 63.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.572 0.749 . . . . 0.0 112.155 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -56.97 -36.08 69.91 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.328 0.967 . . . . 0.0 112.374 173.262 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -22.49 43.87 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -69.6 -26.47 64.46 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.161 -0.962 . . . . 0.0 112.399 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.11 63.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.336 -0.852 . . . . 0.0 112.255 170.497 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.22 -42.5 73.42 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 168.735 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -57.14 -22.01 36.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -32.2 73.31 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.611 1.096 . . . . 0.0 112.71 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -32.08 73.46 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.263 -0.898 . . . . 0.0 112.29 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.92 -37.0 24.8 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.924 1.289 . . . . 0.0 111.195 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.41 93.87 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.589 -0.694 . . . . 0.0 111.372 165.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -63.05 -41.58 99.52 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.026 0.93 . . . . 0.0 112.195 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 t -54.23 -47.1 72.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.705 1.139 . . . . 0.0 112.429 171.495 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.391 1.076 . . . . 0.0 112.118 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.4 -38.57 55.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -35.86 77.43 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.656 -1.277 . . . . 0.0 113.034 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -28.07 68.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.193 0.997 . . . . 0.0 113.269 172.365 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 CA--C 1.545 0.758 0 C-N-CA 124.405 1.082 . . . . 0.0 111.879 172.231 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 p90 . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -32.87 74.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 m -60.65 -44.09 96.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.031 0.832 . . . . 0.0 111.552 173.41 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -35.76 66.81 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.109 175.558 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.5 mt -58.39 -42.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.887 1.221 . . . . 0.0 110.624 170.611 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.9 m -58.7 -33.08 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 121.321 1.873 . . . . 0.0 113.254 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.52 -55.42 5.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.27 0.628 . . . . 0.0 111.993 171.749 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -47.69 84.47 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 124.262 1.025 . . . . 0.0 111.816 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' THR . . . . . 0.489 ' HA ' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -60.41 -34.67 74.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 112.334 178.896 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -66.07 -52.01 52.8 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.397 -1.44 . . . . 0.0 111.267 167.237 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.64 -33.42 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 126.12 1.768 . . . . 0.0 113.729 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -53.71 -49.99 66.89 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.913 1.685 . . . . 0.0 111.236 174.57 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -43.06 48.3 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.28 -17.08 63.3 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 t -56.1 -25.75 46.98 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.865 1.266 . . . . 0.0 113.096 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.68 -29.72 40.88 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t 55.08 170.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 127.415 2.286 . . . . 0.0 112.5 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 m 68.98 5.37 5.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.866 -1.771 . . . . 0.0 114.439 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 t -149.19 -154.33 0.55 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.768 1.627 . . . . 0.0 110.371 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.9 p -41.33 135.1 2.06 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.572 1.549 . . . . 0.0 112.589 165.481 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.5 -119.46 1.02 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.834 1.207 . . . . 0.0 111.109 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.2 m -65.99 34.94 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.985 2.114 . . . . 0.0 115.123 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -135.98 17.44 3.25 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.268 1.827 . . . . 0.0 112.674 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 m120 40.88 66.79 3.29 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 127.15 2.18 . . . . 0.0 113.994 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -69.08 166.64 26.07 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.186 2.591 . . . . 0.0 113.299 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.12 -34.48 44.6 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.093 0.957 . . . . 0.0 112.534 172.387 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CE2' HG12 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -60.2 -57.19 13.87 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.757 1.223 . . . . 0.0 113.146 170.858 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -34.46 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.44 1.018 . . . . 0.0 111.304 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.7 t -68.21 -44.05 76.66 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.228 1.011 . . . . 0.0 111.998 171.682 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -55.87 -40.73 73.37 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 117.388 -1.292 . . . . 0.0 111.21 170.54 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.12 -38.81 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 120.789 1.631 . . . . 0.0 112.423 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -67.4 -47.63 69.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.95 1.25 . . . . 0.0 112.293 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.8 m -64.84 -42.93 94.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.08 0.952 . . . . 0.0 112.187 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -74.05 -31.37 62.85 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.425 179.106 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mm -54.79 -38.89 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 121.655 2.025 . . . . 0.0 111.367 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -49.11 76.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.42 0.554 . . . . 0.0 111.878 171.036 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.45 -35.63 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.439 1.096 . . . . 0.0 113.031 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -52.08 48.21 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.982 2.113 . . . . 0.0 110.535 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -62.13 -43.09 99.59 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.238 0.472 . . . . 0.0 111.727 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -65.47 -37.4 86.74 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.675 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.9 t -64.11 -41.86 97.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.391 1.45 . . . . 0.0 111.52 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.2 m -60.76 -51.4 69.49 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.798 -0.564 . . . . 0.0 111.853 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.5 m -64.35 -31.04 72.09 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -70.05 -44.34 69.39 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.061 1.345 . . . . 0.0 110.951 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.35 70.94 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.181 0.901 . . . . 0.0 113.41 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.91 -33.25 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.524 1.13 . . . . 0.0 112.643 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -174.845 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -144.09 -57.77 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 111.921 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.65 -27.7 64.99 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.822 1.192 . . . . 0.0 112.053 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -53.81 -44.41 70.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.353 1.861 . . . . 0.0 112.875 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -30.42 71.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.276 0.944 . . . . 0.0 113.05 -175.859 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.82 -34.36 60.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.517 0.727 . . . . 0.0 111.158 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.37 -45.53 87.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.149 164.043 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.73 -48.28 66.8 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.599 1.091 . . . . 0.0 110.877 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.8 -45.91 78.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.068 0.849 . . . . 0.0 112.338 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.56 87.48 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.759 1.163 . . . . 0.0 113.542 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -80.64 -35.71 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.14 -0.975 . . . . 0.0 112.527 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.7 -44.04 99.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-O 117.289 -1.339 . . . . 0.0 107.836 170.256 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -53.77 -47.23 70.94 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.227 1.376 . . . . 0.0 112.029 173.552 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -60.3 -38.26 83.08 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.38 -50.92 23.04 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.217 1.007 . . . . 0.0 113.039 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG12 ' CD2' ' A' ' 80' ' ' PHE . 31.8 m -65.07 -33.3 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.217 1.407 . . . . 0.0 112.322 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.63 -12.71 47.75 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.185 0.994 . . . . 0.0 112.944 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -14.7 18.32 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.406 1.083 . . . . 0.0 113.416 170.515 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -101.19 19.64 17.21 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.418 1.887 . . . . 0.0 112.294 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 7.5 t 53.21 51.5 15.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.995 2.518 . . . . 0.0 114.364 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -120.14 76.71 1.19 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.219 1.407 . . . . 0.0 111.779 -174.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 m -58.1 -24.18 57.7 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.551 -1.343 . . . . 0.0 113.39 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -53.58 -26.4 21.48 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.804 -1.185 . . . . 0.0 113.758 171.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -72.2 -24.47 61.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.517 1.127 . . . . 0.0 112.846 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -66.75 -28.79 68.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.915 0.78 . . . . 0.0 113.094 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.52 81.02 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.821 0.737 . . . . 0.0 111.503 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.95 -22.98 67.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -50.78 -38.6 49.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.147 1.34 . . . . 0.0 112.975 171.739 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.54 -23.32 63.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.214 1.406 . . . . 0.0 112.765 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.51 -31.58 24.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.686 1.194 . . . . 0.0 112.657 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.87 -33.71 68.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.135 1.334 . . . . 0.0 111.284 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -59.62 -22.14 61.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -31.47 68.95 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.727 -1.233 . . . . 0.0 112.153 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.2 92.95 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.475 -0.765 . . . . 0.0 111.32 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -46.09 68.87 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.506 0.723 . . . . 0.0 112.095 173.008 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.85 -39.51 77.88 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.524 0.602 . . . . 0.0 111.958 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 m -69.68 -40.71 76.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.118 0.967 . . . . 0.0 112.766 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 m -63.96 -37.64 88.16 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.369 1.068 . . . . 0.0 113.485 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -40.2 81.24 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.744 1.617 . . . . 0.0 111.299 171.653 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.71 -32.99 64.18 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.635 -0.666 . . . . 0.0 112.559 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -39.18 72.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.189 0.996 . . . . 0.0 111.936 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.65 -21.89 64.8 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 CA--C 1.547 0.835 0 O-C-N 121.181 -0.95 . . . . 0.0 112.718 175.72 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -38.13 4.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.589 1.956 . . . . 0.0 115.025 -175.235 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -65.9 -49.28 68.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.25 0.932 . . . . 0.0 111.681 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -40.43 73.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.385 1.074 . . . . 0.0 111.929 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mm -65.86 -46.99 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 117.543 -1.218 . . . . 0.0 110.414 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 t -61.26 -42.22 98.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.771 1.623 . . . . 0.0 111.694 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.95 61.88 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.664 -0.648 . . . . 0.0 112.603 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.58 -38.59 91.53 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.065 1.302 . . . . 0.0 111.796 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.6 m -53.77 -45.11 70.53 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.608 1.094 . . . . 0.0 111.432 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -64.45 -38.26 90.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.5 -34.09 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.802 1.637 . . . . 0.0 111.506 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -62.83 -48.14 80.37 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.47 1.032 . . . . 0.0 110.247 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 p -65.26 -49.1 70.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.096 0.559 . . . . 0.0 112.161 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -55.47 -27.4 48.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.358 2.263 . . . . 0.0 114.255 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.12 -40.11 92.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.169 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -72.81 -52.74 13.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.419 0.688 . . . . 0.0 111.661 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.07 145.63 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.685 1.594 . . . . 0.0 109.477 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.3 t -50.59 122.59 7.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.165 0.507 . . . . 0.0 112.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.7 p 41.28 56.7 3.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.054 2.542 . . . . 0.0 116.735 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -34.11 123.39 0.49 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.268 1.827 . . . . 0.0 114.15 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -78.49 0.61 Allowed Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.768 1.175 . . . . 0.0 112.051 -167.5 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 p -168.93 46.1 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.137 1.375 . . . . 0.0 113.34 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.7 t30 60.63 21.82 11.68 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.269 1.428 . . . . 0.0 112.725 -171.212 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -163.54 78.25 1.66 Allowed Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 127.464 2.306 . . . . 0.0 107.878 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -69.01 177.58 4.92 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.44 2.093 . . . . 0.0 110.697 175.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.5 -27.42 4.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 167.127 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CD2' HG12 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -72.73 -42.9 63.61 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.693 1.197 . . . . 0.0 112.255 -177.225 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 t -72.13 -40.77 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.668 1.122 . . . . 0.0 111.171 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -61.42 -41.33 96.98 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.01 0.823 . . . . 0.0 111.116 173.141 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -61.77 -33.89 74.9 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 116.059 -1.924 . . . . 0.0 112.555 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.2 t -54.06 -45.16 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 122.922 2.601 . . . . 0.0 111.276 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -67.9 -48.03 67.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 121.606 2.003 . . . . 0.0 112.894 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -62.06 -44.64 96.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.606 -0.684 . . . . 0.0 112.081 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.0 -38.27 72.66 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.237 -1.839 . . . . 0.0 111.326 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.47 -39.15 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 122.37 2.35 . . . . 0.0 110.13 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.04 87.65 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.784 0.72 . . . . 0.0 112.708 172.205 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.61 -46.08 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.893 0.877 . . . . 0.0 112.094 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.63 -45.2 81.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.302 2.241 . . . . 0.0 111.244 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 m -59.67 -48.98 79.52 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.03 0.832 . . . . 0.0 111.985 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -67.33 -32.27 73.12 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.706 173.64 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 m -67.76 -43.79 79.0 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.048 1.749 . . . . 0.0 112.224 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.6 m -62.83 -48.67 78.06 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.909 0.777 . . . . 0.0 111.086 172.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.9 m -64.21 -34.22 77.59 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.67 -19.58 59.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.142 1.377 . . . . 0.0 112.582 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.57 -31.48 26.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.928 1.24 . . . . 0.0 112.473 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 mm -58.02 -43.33 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.91 1.284 . . . . 0.0 111.708 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.481 1.123 0 C-N-CA 124.804 1.242 . . . . 0.0 113.091 -179.051 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.3 0.3 OUTLIER . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -147.08 -45.05 0.18 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.055 1.342 . . . . 0.0 113.246 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -94.7 -38.36 10.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.93 0.786 . . . . 0.0 110.743 170.548 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.11 29.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 128.717 2.807 . . . . 0.0 113.955 172.084 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.572 HD13 HD22 ' A' ' 37' ' ' LEU . 3.5 pp -138.05 -37.72 0.58 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.541 1.536 . . . . 0.0 112.672 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.15 -45.54 9.5 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.016 0.825 . . . . 0.0 110.007 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.44 -43.62 96.63 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.048 0.939 . . . . 0.0 110.176 161.632 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.66 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -70.12 -30.68 67.93 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.093 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.27 49.04 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.09 -1.006 . . . . 0.0 110.344 166.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.352 -0.842 . . . . 0.0 113.088 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -80.96 -35.79 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.4 -0.813 . . . . 0.0 112.552 -175.922 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.46 -39.27 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.666 0.666 . . . . 0.0 109.65 168.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -41.48 96.78 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.337 0.971 . . . . 0.0 111.641 172.52 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -59.6 -22.95 62.52 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.319 -0.863 . . . . 0.0 113.184 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.3 -57.71 2.83 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.744 1.217 . . . . 0.0 112.079 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.45 -35.03 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 120.653 -1.279 . . . . 0.0 113.51 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -95.01 3.46 54.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.765 1.626 . . . . 0.0 111.332 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -55.61 -30.49 61.0 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.875 -1.141 . . . . 0.0 112.222 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -81.01 -94.11 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.502 1.521 . . . . 0.0 109.564 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -165.73 39.37 0.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.222 1.487 . . . . 0.0 111.965 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.94 56.93 0.64 Allowed 'General case' 0 CA--C 1.547 0.837 0 O-C-N 119.904 -1.748 . . . . 0.0 112.213 -155.04 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -52.91 -34.34 54.68 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.4 -1.437 . . . . 0.0 114.654 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -63.96 -29.46 70.62 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.769 -1.207 . . . . 0.0 112.98 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -28.47 69.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.951 1.301 . . . . 0.0 112.219 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -62.93 -22.51 66.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.7 70.95 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.732 1.151 . . . . 0.0 112.535 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -14.35 60.4 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.94 68.76 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.326 1.421 . . . . 0.0 111.875 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -72.7 -22.45 60.89 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.506 1.122 . . . . 0.0 113.129 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.53 38.14 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.955 -1.091 . . . . 0.0 112.126 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.63 -34.66 69.55 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.052 -1.03 . . . . 0.0 111.13 165.081 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -61.98 -25.42 67.61 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -34.54 65.31 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.69 1.132 . . . . 0.0 112.145 173.372 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.14 42.05 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.63 -0.669 . . . . 0.0 111.873 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.572 HD22 HD13 ' A' ' 7' ' ' LEU . 3.6 pp -65.57 -30.34 71.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 177.067 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.43 68.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.922 0.783 . . . . 0.0 112.282 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -59.59 -40.19 86.62 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.464 -0.772 . . . . 0.0 110.766 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -63.72 -21.49 66.43 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.41 75.29 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.269 1.395 . . . . 0.0 111.186 170.025 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.4 27.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 112.622 171.427 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -69.99 -16.61 63.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.778 -1.201 . . . . 0.0 113.645 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.2 -32.25 72.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.296 1.438 . . . . 0.0 111.94 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 123.951 0.901 . . . . 0.0 113.158 177.112 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.407 ' CE2' HD13 ' A' ' 58' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -65.62 -36.82 84.83 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.889 . . . . 0.0 112.827 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -60.94 -42.84 98.99 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.604 -0.685 . . . . 0.0 110.774 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.19 -56.72 12.77 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.676 -1.155 . . . . 0.0 111.983 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.407 HD13 ' CE2' ' A' ' 54' ' ' TYR . 1.2 pt -62.51 -30.36 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.297 1.862 . . . . 0.0 112.747 -175.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.7 t -70.66 -44.12 67.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.086 0.954 . . . . 0.0 112.003 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.85 -50.46 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.205 -0.934 . . . . 0.0 111.267 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -48.55 76.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.349 1.459 . . . . 0.0 112.055 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -61.76 -31.76 71.98 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.507 1.503 . . . . 0.0 113.11 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -75.46 -35.87 60.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.06 -1.025 . . . . 0.0 112.714 169.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.99 -30.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.837 1.255 . . . . 0.0 111.512 170.45 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -56.57 -41.85 77.6 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.362 1.437 . . . . 0.0 111.166 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -46.53 85.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 111.763 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 -10.86 59.9 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.064 1.346 . . . . 0.0 114.089 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.0 m -81.16 -23.39 38.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.549 1.54 . . . . 0.0 112.638 168.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -35.42 10.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.484 0.714 . . . . 0.0 112.425 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t 55.38 61.46 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.991 1.716 . . . . 0.0 112.594 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.9 p -140.28 -168.52 2.56 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.4 1.88 . . . . 0.0 110.964 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.0 m -44.86 -37.02 3.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.02 1.728 . . . . 0.0 113.204 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -85.73 50.1 1.9 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.29 1.836 . . . . 0.0 112.653 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.14 83.91 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.891 0.758 . . . . 0.0 114.22 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 t -145.36 47.87 1.28 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.642 1.177 . . . . 0.0 112.529 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.0 t30 62.28 107.75 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 128.286 2.634 . . . . 0.0 114.059 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 54.6 73.43 0.89 Allowed Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.265 1.426 . . . . 0.0 111.83 -166.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -65.16 -178.97 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.602 2.868 . . . . 0.0 111.78 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.82 -33.46 4.48 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.818 0.847 . . . . 0.0 113.122 169.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.41 -39.6 81.58 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.162 0.892 . . . . 0.0 113.322 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.12 -41.99 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.86 0.864 . . . . 0.0 110.659 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.19 94.83 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.93 -0.481 . . . . 0.0 111.277 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -63.21 -34.97 78.8 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.868 -1.539 . . . . 0.0 111.593 168.1 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.07 -41.8 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 121.222 1.828 . . . . 0.0 111.687 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.07 -44.06 81.06 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.203 1.365 . . . . 0.0 112.45 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -62.13 -50.08 73.3 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.152 0.981 . . . . 0.0 112.384 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 13' ' ' VAL . 1.4 pp -70.54 -32.89 70.5 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.583 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.0 mm -61.48 -37.24 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.782 1.628 . . . . 0.0 110.501 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.7 76.58 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.699 1.136 . . . . 0.0 111.712 172.727 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.89 -39.74 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 O-C-N 121.531 -0.731 . . . . 0.0 112.236 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.33 -40.28 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.198 1.799 . . . . 0.0 111.947 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 m -62.68 -39.16 93.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.821 1.191 . . . . 0.0 112.056 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -64.13 -48.97 74.02 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.419 -0.8 . . . . 0.0 110.761 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.6 m -61.18 -42.52 98.72 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.322 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.6 p -70.08 -49.13 54.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.108 0.867 . . . . 0.0 110.955 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -58.71 -33.96 70.77 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.642 1.11 . . . . 0.0 112.979 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.03 -50.27 62.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.54 -25.23 67.93 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.1 mm -52.56 -32.8 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.558 1.143 . . . . 0.0 112.33 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.7 p . . . . . 0 N--CA 1.478 0.971 0 C-N-CA 124.284 1.034 . . . . 0.0 113.729 -177.992 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 . . . . . 0 CA--C 1.552 1.048 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -140.71 -43.59 0.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.713 1.205 . . . . 0.0 113.822 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -77.65 -31.29 52.6 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.35 -0.843 . . . . 0.0 110.509 167.328 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.18 -40.1 70.32 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.662 1.185 . . . . 0.0 112.23 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.34 -29.09 68.66 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.91 -38.23 72.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.836 0.855 . . . . 0.0 111.261 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -77.44 -35.41 53.99 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.972 0.909 . . . . 0.0 111.934 171.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -37.44 87.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 125.367 1.467 . . . . 0.0 110.955 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.39 -49.01 73.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.488 167.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.83 -39.12 80.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 121.198 1.817 . . . . 0.0 113.798 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 87' ' ' LEU . 15.7 m -79.07 -32.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 177.651 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.58 -42.84 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.708 1.14 . . . . 0.0 110.101 168.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -56.92 -46.48 81.98 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.826 1.65 . . . . 0.0 110.936 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 m -58.5 -43.64 89.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.1 0.864 . . . . 0.0 112.591 172.161 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.89 67.14 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.87 0.759 . . . . 0.0 111.733 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 m -70.99 -39.38 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.324 -0.86 . . . . 0.0 113.26 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -10.91 59.71 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.513 -0.742 . . . . 0.0 112.833 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -18.06 50.37 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.738 -1.226 . . . . 0.0 113.5 166.666 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -94.63 14.85 19.7 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.033 1.333 . . . . 0.0 112.896 169.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.351 7.9 p 74.15 24.71 1.9 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 130.051 3.34 . . . . 0.0 115.719 175.538 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -97.63 64.3 1.79 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -166.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -55.8 -37.69 68.96 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -61.31 -29.97 70.21 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.032 -1.042 . . . . 0.0 112.615 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -67.98 -21.88 65.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -59.35 -27.19 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 169.498 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.51 92.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.143 0.883 . . . . 0.0 111.846 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -62.19 -37.93 87.18 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 0.0 112.121 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.08 -17.81 63.77 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.566 1.075 . . . . 0.0 113.771 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -69.24 -25.81 64.47 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.763 -1.211 . . . . 0.0 112.819 166.448 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.31 56.22 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.098 -1.001 . . . . 0.0 112.468 169.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -34.73 62.61 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.768 1.167 . . . . 0.0 111.789 166.28 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -61.63 -22.75 65.53 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -31.6 70.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.822 1.192 . . . . 0.0 112.644 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.36 -34.92 25.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.52 0.728 . . . . 0.0 111.593 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.9 -22.87 67.07 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 167.19 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.26 73.83 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.609 -1.307 . . . . 0.0 112.074 168.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -62.49 -34.17 76.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.211 -0.931 . . . . 0.0 111.785 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -61.7 -33.57 74.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.155 0.889 . . . . 0.0 113.027 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.85 92.82 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.078 0.854 . . . . 0.0 111.608 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.27 45.28 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.878 0.871 . . . . 0.0 112.394 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.26 -36.32 83.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.378 1.071 . . . . 0.0 112.784 175.313 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.24 -26.82 30.88 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.772 1.629 . . . . 0.0 114.111 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 CA--C 1.552 1.024 0 C-N-CA 124.517 1.127 . . . . 0.0 113.477 171.147 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -55.96 -33.81 65.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.541 -1.35 . . . . 0.0 112.326 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 m -59.02 -48.86 80.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 111.592 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.04 -36.3 48.68 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.08 0.855 . . . . 0.0 112.903 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.75 -50.43 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.254 1.388 . . . . 0.0 110.604 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -65.39 -48.83 71.52 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.0 0.52 . . . . 0.0 111.681 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.62 68.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.365 0.666 . . . . 0.0 112.4 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.86 -43.92 97.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 117.454 -1.26 . . . . 0.0 110.838 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.8 m -53.46 -42.75 67.5 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.552 1.069 . . . . 0.0 111.746 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.34 -32.28 69.93 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.56 -32.09 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.498 1.119 . . . . 0.0 111.106 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.43 -42.98 99.85 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.299 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -52.34 63.06 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.275 -1.515 . . . . 0.0 111.398 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -13.92 22.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.96 -39.63 49.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.989 0.916 . . . . 0.0 112.787 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.91 -0.494 . . . . 0.0 111.785 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 t 65.95 165.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.018 1.727 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 72' ' ' THR . 10.1 m 64.74 -176.68 0.17 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.012 1.325 . . . . 0.0 111.1 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.529 ' H ' HG22 ' A' ' 71' ' ' THR . 3.7 t 25.99 -91.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.492 2.717 . . . . 0.0 115.356 169.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.529 ' H ' HG23 ' A' ' 72' ' ' THR . 27.0 p -75.96 95.34 3.54 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.964 1.705 . . . . 0.0 111.147 169.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.95 -147.58 4.87 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 126.038 1.78 . . . . 0.0 111.16 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.38 45.32 0.1 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.615 1.566 . . . . 0.0 114.089 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.17 35.19 1.91 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.136 1.774 . . . . 0.0 112.212 -170.585 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.04 68.12 3.82 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.861 1.664 . . . . 0.0 112.991 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.14 175.52 6.55 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.373 2.715 . . . . 0.0 112.929 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.96 -22.12 3.65 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 117.74 -1.124 . . . . 0.0 113.69 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.29 -49.13 15.68 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.417 1.917 . . . . 0.0 112.079 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.1 -35.75 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.645 0.778 . . . . 0.0 111.02 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -69.88 -39.79 76.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.432 -0.793 . . . . 0.0 112.466 172.05 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -47.62 84.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.821 -1.562 . . . . 0.0 110.72 174.519 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.25 27.0 m -58.86 -26.57 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 121.228 1.831 . . . . 0.0 113.745 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -65.1 -44.27 89.39 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 121.177 1.808 . . . . 0.0 112.753 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.66 -38.53 25.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.656 -0.652 . . . . 0.0 112.378 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.541 HD13 HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -64.47 -45.51 87.05 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 117.239 -1.362 . . . . 0.0 111.193 177.129 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.5 mm -60.76 -37.9 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 121.044 1.747 . . . . 0.0 110.294 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -53.52 54.57 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 118.843 0.747 . . . . 0.0 112.056 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.9 t -65.2 -30.86 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.417 -0.802 . . . . 0.0 112.569 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.88 -47.86 56.92 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.091 2.156 . . . . 0.0 111.351 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 m -59.62 -40.87 89.0 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.253 -0.905 . . . . 0.0 111.426 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.96 -40.44 78.89 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.081 -0.961 . . . . 0.0 113.336 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.3 p -66.1 -33.64 76.25 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.849 1.659 . . . . 0.0 112.146 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -59.65 -55.85 29.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.519 0.728 . . . . 0.0 111.66 167.061 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.3 m -61.48 -32.2 72.2 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.833 1.197 . . . . 0.0 113.915 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -68.1 -43.73 77.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.5 1.52 . . . . 0.0 111.563 174.211 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.67 60.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 mm -64.29 -14.62 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.188 1.795 . . . . 0.0 112.193 167.446 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.48 1.045 0 C-N-CA 127.476 2.31 . . . . 0.0 113.167 176.365 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -145.41 -54.33 0.29 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.071 0.949 . . . . 0.0 112.801 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.62 -35.02 79.18 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.509 1.05 . . . . 0.0 110.447 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.27 -23.6 67.08 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.508 -1.235 . . . . 0.0 113.108 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -37.2 74.48 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.285 1.857 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -42.47 54.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.87 0.868 . . . . 0.0 112.084 -176.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -64.59 -47.42 78.72 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.278 0.631 . . . . 0.0 110.791 171.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.71 -34.89 79.25 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.165 0.986 . . . . 0.0 112.1 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.86 -54.81 42.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.367 0.985 . . . . 0.0 110.377 169.225 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.97 85.09 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.074 -1.016 . . . . 0.0 112.411 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -39.95 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.597 1.159 . . . . 0.0 112.92 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -71.66 -38.33 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.8 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -59.79 -32.23 70.43 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.668 1.122 . . . . 0.0 111.705 175.169 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 m -59.45 -15.65 18.67 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 169.614 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.28 -58.14 2.18 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.429 1.892 . . . . 0.0 110.575 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.43 HG13 ' HD2' ' A' ' 26' ' ' LYS . 3.5 t -46.71 -41.03 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 128.424 2.689 . . . . 0.0 112.91 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -104.58 4.9 33.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.332 1.453 . . . . 0.0 112.438 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -60.78 -27.49 68.03 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.039 -1.663 . . . . 0.0 112.816 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -83.2 7.55 15.84 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.606 1.562 . . . . 0.0 113.465 173.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.348 5.9 p 77.3 23.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 129.755 3.222 . . . . 0.0 115.791 174.377 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.95 87.18 6.82 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.5 m -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.102 -0.999 . . . . 0.0 113.475 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.8 m -70.77 -22.99 62.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 114.032 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HD2' HG13 ' A' ' 18' ' ' VAL . 18.7 mttp -71.06 -21.13 62.28 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.615 -1.303 . . . . 0.0 113.466 171.65 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -28.32 62.31 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.183 0.901 . . . . 0.0 112.828 171.048 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.51 81.97 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.272 -0.893 . . . . 0.0 113.014 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.61 -19.91 64.47 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.811 0.844 . . . . 0.0 113.003 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -53.36 -34.66 58.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.36 0.982 . . . . 0.0 113.113 170.043 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -72.64 -23.08 60.86 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.201 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -31.11 68.09 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.995 -1.065 . . . . 0.0 111.572 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -38.01 78.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.1 -1.0 . . . . 0.0 111.345 169.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 m -59.68 -22.52 62.06 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 172.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -38.5 85.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.96 1.255 . . . . 0.0 111.818 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.16 -49.6 55.34 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.691 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.06 -33.45 74.42 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.121 0.873 . . . . 0.0 112.915 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.71 98.27 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.15 0.886 . . . . 0.0 112.226 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -65.79 -41.06 92.44 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.39 0.676 . . . . 0.0 111.753 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -61.21 -36.79 80.85 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.448 1.499 . . . . 0.0 112.883 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.34 79.79 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.79 1.236 . . . . 0.0 111.314 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.67 54.17 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.69 -19.52 52.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.695 1.198 . . . . 0.0 113.243 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 tp -65.6 -35.16 80.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.227 1.411 . . . . 0.0 111.296 168.041 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp . . . . . 0 CA--C 1.547 0.842 0 C-N-CA 125.156 1.382 . . . . 0.0 113.999 -175.68 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 p90 . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.44 -34.31 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.305 -1.497 . . . . 0.0 112.592 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.0 m -64.78 -35.46 81.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.672 0.789 . . . . 0.0 111.889 168.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.39 -38.93 91.47 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.145 0.884 . . . . 0.0 111.448 172.563 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mm -64.81 -43.54 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.552 1.524 . . . . 0.0 111.131 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -62.26 -45.78 91.76 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 118.534 0.606 . . . . 0.0 111.952 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.0 51.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.669 0.788 . . . . 0.0 111.424 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.25 -47.43 79.64 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 117.417 -1.278 . . . . 0.0 111.92 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -60.42 -30.57 69.7 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 122.134 2.243 . . . . 0.0 112.573 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -50.88 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.09 -1.006 . . . . 0.0 112.353 167.532 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.43 -33.37 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.11 1.323 . . . . 0.0 112.45 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -52.8 -39.42 62.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.627 1.571 . . . . 0.0 111.539 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 m -83.41 -44.96 14.22 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.211 1.004 . . . . 0.0 112.834 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.21 -14.61 61.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.407 1.083 . . . . 0.0 113.541 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -66.57 -27.03 67.41 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.72 1.208 . . . . 0.0 112.678 168.103 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -34.82 33.65 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.486 1.114 . . . . 0.0 112.205 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t 57.07 37.22 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 125.918 1.687 . . . . 0.0 112.645 -177.178 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m -140.35 94.31 2.73 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.79 -1.194 . . . . 0.0 111.181 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m 65.28 -54.86 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.777 2.831 . . . . 0.0 114.354 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.5 p -70.35 98.72 1.45 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.068 2.147 . . . . 0.0 110.339 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.46 -83.9 0.15 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 125.353 1.454 . . . . 0.0 110.082 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t 45.16 29.56 0.53 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.536 1.935 . . . . 0.0 114.909 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.4 t30 49.65 114.59 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.631 2.372 . . . . 0.0 114.302 -155.65 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.06 78.6 0.31 Allowed Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 125.672 1.589 . . . . 0.0 112.363 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.92 178.27 4.21 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.627 2.884 . . . . 0.0 112.805 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -37.01 11.07 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.611 -0.68 . . . . 0.0 112.16 168.001 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -68.09 -26.8 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.289 1.035 . . . . 0.0 113.082 -178.61 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.24 -45.99 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.434 1.015 . . . . 0.0 110.386 167.077 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -40.73 97.34 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.847 0.459 . . . . 0.0 111.501 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -57.74 -57.21 13.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.436 1.495 . . . . 0.0 109.975 168.71 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.4 -39.27 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.123 1.369 . . . . 0.0 113.91 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -39.22 85.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.015 1.28 . . . . 0.0 111.955 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.3 m -82.69 -40.38 20.71 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.285 1.034 . . . . 0.0 112.026 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -29.57 68.96 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.847 -1.158 . . . . 0.0 113.538 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.88 -41.84 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.482 1.492 . . . . 0.0 110.997 168.705 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.96 85.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.378 0.535 . . . . 0.0 111.566 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.71 -33.84 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.11 -0.994 . . . . 0.0 111.7 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.89 -53.12 55.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.281 1.4 . . . . 0.0 111.457 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -65.5 -39.14 91.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.695 0.68 . . . . 0.0 112.055 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -66.14 -37.91 86.84 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.873 171.496 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m -60.6 -41.99 95.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.346 1.884 . . . . 0.0 111.9 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.2 m -61.55 -48.29 81.66 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.608 0.64 . . . . 0.0 111.88 172.244 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.3 m -63.76 -33.04 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -74.83 -26.13 59.49 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.65 1.18 . . . . 0.0 111.24 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.16 60.23 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.415 -1.428 . . . . 0.0 113.503 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.17 -45.2 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.414 1.006 . . . . 0.0 110.627 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.477 0.912 0 C-N-CA 125.389 1.476 . . . . 0.0 111.604 176.255 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -59.5 -26.32 65.19 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -99.12 -33.75 10.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 111.014 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 91' ' ' LEU . 59.3 m-20 -57.63 -41.23 80.92 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.817 177.793 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.01 -30.12 58.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.919 1.236 . . . . 0.0 114.145 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.1 -33.89 24.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.738 0.815 . . . . 0.0 111.146 -177.66 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.5 -38.34 80.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.438 1.095 . . . . 0.0 111.23 166.439 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.596 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -60.99 -41.15 95.91 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 123.666 0.787 . . . . 0.0 110.667 172.106 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 1.76 0.4 Allowed 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -108.44 -46.86 3.61 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.464 1.484 . . . . 0.0 111.963 168.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 10' ' ' LEU . 11.7 m -68.54 -37.95 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.309 -0.869 . . . . 0.0 111.953 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.42 -47.86 87.65 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.03 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.14 -47.44 68.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.619 1.554 . . . . 0.0 111.451 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 t -57.05 -40.99 77.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.655 0.782 . . . . 0.0 112.652 172.186 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.24 -53.29 12.97 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.946 1.298 . . . . 0.0 113.885 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.75 -24.69 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.658 1.583 . . . . 0.0 112.761 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.0 m -99.94 -5.8 27.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.786 1.234 . . . . 0.0 111.951 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -26.02 59.88 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.5 -1.375 . . . . 0.0 113.233 171.725 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -94.87 19.83 9.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.394 2.278 . . . . 0.0 112.757 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.277 4.0 p 66.5 8.88 6.1 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 128.781 2.832 . . . . 0.0 116.02 173.52 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -79.36 95.82 5.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 112.292 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -57.35 -32.29 66.6 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 120.873 -1.142 . . . . 0.0 112.745 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -69.41 -20.08 63.8 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.937 -1.102 . . . . 0.0 113.384 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -23.76 66.69 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 119.76 -1.837 . . . . 0.0 112.999 172.425 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.69 71.66 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.902 0.773 . . . . 0.0 112.831 167.238 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -31.16 71.53 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 112.036 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -30.18 66.72 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 117.942 -1.028 . . . . 0.0 113.041 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.52 -26.76 22.32 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 120.049 1.295 . . . . 0.0 113.864 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -28.97 70.23 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 171.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.73 -28.99 67.32 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.279 1.032 . . . . 0.0 111.859 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -35.15 74.68 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.953 -1.092 . . . . 0.0 110.484 168.562 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -66.24 -13.5 60.46 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.364 -1.46 . . . . 0.0 114.394 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.39 -29.45 63.76 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.538 -1.351 . . . . 0.0 111.935 168.746 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.74 98.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.637 -0.664 . . . . 0.0 110.3 170.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.9 -31.74 65.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.136 1.375 . . . . 0.0 112.845 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.96 82.67 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.68 0.673 . . . . 0.0 112.723 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -72.08 -41.53 67.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.378 0.671 . . . . 0.0 111.35 169.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -57.68 -36.31 71.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.738 0.815 . . . . 0.0 113.164 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -44.05 50.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.034 1.334 . . . . 0.0 112.179 171.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.21 -34.04 29.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.657 0.783 . . . . 0.0 112.484 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.39 -27.65 69.45 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.2 -0.938 . . . . 0.0 112.991 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -67.87 -31.64 71.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 112.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.0 tp . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.954 0.902 . . . . 0.0 111.271 170.435 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 57' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -49.1 -36.97 20.15 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.698 -1.876 . . . . 0.0 113.601 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.5 m -64.22 -42.9 96.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.474 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -68.58 -42.64 77.97 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.926 1.239 . . . . 0.0 111.412 175.094 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.84 -49.97 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.242 1.383 . . . . 0.0 110.477 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -66.84 -41.39 87.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.428 0.558 . . . . 0.0 112.479 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.17 -52.88 56.86 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 123.75 0.82 . . . . 0.0 111.947 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.96 -42.96 99.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.52 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.0 m -54.0 -46.7 71.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 119.885 1.221 . . . . 0.0 112.538 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.49 -38.53 90.03 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.733 0.697 . . . . 0.0 112.165 173.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.97 -29.42 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.155 1.382 . . . . 0.0 112.105 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.46 -39.94 89.39 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.364 1.438 . . . . 0.0 111.151 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -46.66 51.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.68 1.992 . . . . 0.0 111.38 173.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.96 -14.75 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 114.391 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.0 t -74.39 -29.05 61.38 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.204 1.002 . . . . 0.0 112.65 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.83 -36.53 4.8 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 t 53.89 55.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.06 1.344 . . . . 0.0 112.07 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -112.05 -82.89 0.59 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.176 1.39 . . . . 0.0 112.216 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 m -107.25 24.09 13.4 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.042 2.137 . . . . 0.0 109.834 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 154.4 38.23 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.59 2.356 . . . . 0.0 110.388 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.19 87.4 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.27 1.414 . . . . 0.0 115.369 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.0 p 46.64 32.29 1.64 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.272 2.229 . . . . 0.0 116.346 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -162.58 -46.02 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.373 1.469 . . . . 0.0 110.934 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -154.09 73.67 6.29 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.332 1.853 . . . . 0.0 108.631 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.95 177.51 4.24 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.331 2.02 . . . . 0.0 110.827 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.75 -26.64 4.03 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -75.15 -38.86 60.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.146 0.978 . . . . 0.0 111.762 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -69.76 -47.23 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.703 1.138 . . . . 0.0 110.84 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -40.33 93.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.558 0.617 . . . . 0.0 112.331 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.07 -44.55 97.21 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 116.59 -1.672 . . . . 0.0 110.81 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.0 t -51.49 -35.68 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 121.323 1.874 . . . . 0.0 113.312 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.46 -46.02 88.14 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.94 2.155 . . . . 0.0 112.998 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.7 m -73.84 -44.7 54.81 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.355 -0.841 . . . . 0.0 111.98 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.452 HD13 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -60.39 -46.45 89.94 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-O 116.412 -1.756 . . . . 0.0 110.016 176.606 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mm -59.55 -39.0 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 121.141 1.791 . . . . 0.0 110.339 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.31 88.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.965 1.257 . . . . 0.0 113.073 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.6 t -77.41 -37.85 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 112.425 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 6' ' ' ASP . 0.6 OUTLIER -69.28 -45.26 70.07 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 128.072 2.549 . . . . 0.0 111.3 178.371 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.5 p -63.95 -46.91 82.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.848 0.749 . . . . 0.0 110.567 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -68.81 -27.82 66.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.522 -1.227 . . . . 0.0 112.813 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m -68.86 -47.77 65.11 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 121.421 1.919 . . . . 0.0 111.193 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -65.01 -41.29 95.46 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.871 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.1 m -70.07 -32.54 70.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.979 1.263 . . . . 0.0 114.242 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -70.34 -19.99 63.02 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.667 1.187 . . . . 0.0 112.387 168.436 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.69 -24.74 19.4 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.067 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.3 mt -53.95 -42.3 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.645 1.178 . . . . 0.0 111.371 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.474 0.774 0 CA-C-O 121.932 0.872 . . . . 0.0 112.653 179.044 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.261 10.5 pt-20 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -150.95 -39.42 0.13 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.728 2.011 . . . . 0.0 112.555 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.55 -33.45 75.08 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.197 -0.94 . . . . 0.0 110.659 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ASP . . . . . 0.569 ' HB2' HD11 ' A' ' 91' ' ' LEU . 6.1 p30 -55.47 -47.97 75.26 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.055 -1.45 . . . . 0.0 112.892 172.059 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -29.1 13.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.521 1.51 . . . . 0.0 113.285 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -67.47 -56.12 10.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.613 1.165 . . . . 0.0 112.376 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -72.63 -39.76 66.97 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.175 -0.953 . . . . 0.0 112.009 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 87' ' ' LEU . 2.4 tp -55.27 -47.84 74.92 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 126.617 1.967 . . . . 0.0 110.37 172.703 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.16 82.98 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.078 -0.963 . . . . 0.0 111.773 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.85 -46.24 91.36 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.122 1.783 . . . . 0.0 112.431 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.595 HG21 HD13 ' A' ' 87' ' ' LEU . 20.0 m -75.1 -30.84 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.34 -52.77 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.441 1.096 . . . . 0.0 109.886 167.818 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 30' ' ' ALA . 3.7 mp -55.62 -47.16 77.01 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.601 1.561 . . . . 0.0 110.831 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.9 m -57.63 -33.57 68.41 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.01 -40.68 18.12 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.479 1.036 . . . . 0.0 113.698 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -68.87 -31.92 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.233 -0.917 . . . . 0.0 112.117 173.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -4.24 51.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.65 1.18 . . . . 0.0 113.221 175.715 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -24.82 65.0 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.786 -1.196 . . . . 0.0 112.593 171.786 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -89.5 24.89 2.12 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.304 1.842 . . . . 0.0 112.287 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.5 p 59.16 19.11 7.09 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 128.825 2.85 . . . . 0.0 116.081 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.19 -43.36 78.26 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -166.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.8 -44.83 0.06 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.437 2.695 . . . . 0.0 116.812 -170.24 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.2 m -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.64 -1.288 . . . . 0.0 113.648 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -57.72 -17.26 14.22 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 172.428 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.6 m -63.74 -18.66 64.27 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.823 1.192 . . . . 0.0 113.712 165.112 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.65 67.63 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.717 -1.239 . . . . 0.0 112.334 168.683 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -22.32 66.19 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.12 -0.987 . . . . 0.0 113.112 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -57.92 -30.27 65.78 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 170.166 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.77 -28.82 60.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.334 -0.854 . . . . 0.0 112.037 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.78 -32.92 64.02 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.232 -0.917 . . . . 0.0 112.342 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HB2' HD11 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -55.23 -44.35 75.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.355 1.462 . . . . 0.0 111.86 166.24 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -56.36 -29.8 61.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -34.26 77.59 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.483 -1.386 . . . . 0.0 113.268 173.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.77 47.76 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.22 0.918 . . . . 0.0 109.799 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.39 -32.44 73.26 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.747 1.219 . . . . 0.0 113.178 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.42 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.444 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -60.3 -39.65 87.72 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.505 -0.747 . . . . 0.0 111.172 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -55.03 -34.46 63.52 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.496 1.118 . . . . 0.0 113.651 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -39.08 88.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.095 0.958 . . . . 0.0 111.584 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.03 -34.72 29.39 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.01 0.924 . . . . 0.0 112.339 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.02 70.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.293 1.037 . . . . 0.0 112.604 174.587 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.85 -28.16 69.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.398 1.479 . . . . 0.0 112.719 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 CA--C 1.543 0.687 0 O-C-N 121.355 -0.841 . . . . 0.0 112.25 176.455 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.0 p90 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -56.95 -32.24 65.81 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.488 -1.382 . . . . 0.0 113.516 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.1 m -56.15 -49.91 72.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.914 0.886 . . . . 0.0 111.737 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.34 -27.15 52.66 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.01 -1.472 . . . . 0.0 112.691 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -37.91 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 121.411 1.914 . . . . 0.0 112.278 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 m -67.09 -46.15 75.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.921 0.888 . . . . 0.0 111.983 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.04 64.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.253 0.621 . . . . 0.0 111.327 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.7 tm? -52.8 -49.34 65.81 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.597 1.959 . . . . 0.0 111.564 175.259 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -51.05 -51.07 56.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.45 1.1 . . . . 0.0 110.983 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.17 -37.42 87.31 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.988 -0.445 . . . . 0.0 111.533 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.12 -33.98 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.089 1.756 . . . . 0.0 113.31 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.37 -48.56 81.16 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.2 1.363 . . . . 0.0 110.152 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 m -64.12 -56.36 15.4 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.586 1.155 . . . . 0.0 111.699 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.79 -7.96 9.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.541 1.537 . . . . 0.0 114.953 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -47.25 -36.4 8.96 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 112.536 160.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -49.21 7.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.412 1.085 . . . . 0.0 113.221 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.295 2.4 t 47.7 60.95 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 CA-C-O 123.164 1.459 . . . . 0.0 111.862 -175.111 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.7 t -157.08 -44.99 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.457 -1.402 . . . . 0.0 114.474 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -143.57 -39.23 0.31 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.404 1.082 . . . . 0.0 111.628 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -83.3 76.76 9.87 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.429 1.892 . . . . 0.0 110.545 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.01 -66.09 0.16 Allowed Glycine 0 CA--C 1.528 0.864 0 O-C-N 120.864 -1.148 . . . . 0.0 112.638 174.212 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t 48.2 27.28 1.25 Allowed 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 m120 50.86 110.85 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.126 2.17 . . . . 0.0 113.695 -157.34 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 55.85 75.46 0.59 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 125.41 1.484 . . . . 0.0 112.438 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.36 175.17 8.11 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.226 2.617 . . . . 0.0 111.825 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.79 -34.96 20.97 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.704 0.802 . . . . 0.0 112.963 174.393 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.75 -41.44 91.0 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.58 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.223 1.374 . . . . 0.0 111.351 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -73.23 -37.75 66.27 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.807 -0.558 . . . . 0.0 111.205 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -58.6 -45.17 89.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.063 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.08 -33.76 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 121.194 1.815 . . . . 0.0 113.168 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.54 76.92 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.967 1.258 . . . . 0.0 112.168 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.8 m -80.06 -51.94 8.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.151 0.98 . . . . 0.0 111.492 170.411 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -61.48 -39.04 89.48 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 117.591 -1.195 . . . . 0.0 112.225 -173.343 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.4 mm -58.59 -39.61 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 120.142 1.337 . . . . 0.0 109.863 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.8 70.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.619 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.44 -39.69 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.321 0.964 . . . . 0.0 111.511 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 6' ' ' ASP . 1.2 tm? -64.77 -48.94 72.67 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.033 2.533 . . . . 0.0 112.26 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 m -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.412 0.551 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.98 -29.97 70.45 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.642 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 m -67.85 -43.25 79.93 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 121.754 2.07 . . . . 0.0 111.609 174.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -61.31 -49.8 75.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.761 0.424 . . . . 0.0 111.113 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.4 m -63.62 -37.53 87.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.95 -28.98 68.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.059 1.344 . . . . 0.0 112.17 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.45 -16.62 36.58 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 174.104 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.99 -47.85 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.783 1.174 . . . . 0.0 111.193 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.558 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLN . . . . . 0.453 ' HA ' HD23 ' A' ' 7' ' ' LEU . 19.3 pt20 -81.5 -11.6 59.14 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -108.59 8.21 27.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.528 1.531 . . . . 0.0 111.257 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -144.31 43.57 1.41 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.869 3.268 . . . . 0.0 107.78 -171.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.58 HD22 HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -128.94 -36.24 1.8 Allowed 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 127.047 2.139 . . . . 0.0 109.894 167.963 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -83.94 -55.14 4.39 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.9 0.773 . . . . 0.0 110.483 -174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.31 -38.82 88.62 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.838 0.855 . . . . 0.0 111.756 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -40.31 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.212 0.605 . . . . 0.0 111.525 175.814 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.66 88.14 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.888 168.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -60.69 -42.57 97.42 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.89 2.132 . . . . 0.0 112.501 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.649 HG21 HD13 ' A' ' 87' ' ' LEU . 3.0 m -77.81 -32.46 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.648 1.113 . . . . 0.0 113.409 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.64 -40.77 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.334 1.425 . . . . 0.0 110.102 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -46.61 83.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.009 1.277 . . . . 0.0 110.259 170.233 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -57.22 -47.83 80.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.381 0.672 . . . . 0.0 112.27 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.89 68.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.711 1.204 . . . . 0.0 112.721 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -72.18 -23.35 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.731 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.18 -7.32 36.06 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.496 1.043 . . . . 0.0 112.9 174.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -14.15 30.69 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.138 1.375 . . . . 0.0 113.5 169.778 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.569 ' HB3' HG22 ' A' ' 73' ' ' THR . 8.6 m-80 -110.37 22.44 15.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.722 1.609 . . . . 0.0 111.896 171.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.9 p 56.48 19.4 4.1 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.96 2.904 . . . . 0.0 116.491 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.67 -38.75 75.64 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.88 -50.25 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.856 2.462 . . . . 0.0 115.109 -166.657 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 m -63.53 -28.34 69.88 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.194 1.397 . . . . 0.0 113.24 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -16.45 64.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.261 1.024 . . . . 0.0 113.344 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -61.7 -41.25 97.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.039 1.335 . . . . 0.0 112.628 165.162 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.42 74.5 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.297 -0.877 . . . . 0.0 111.079 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -40.19 75.37 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 118.524 0.602 . . . . 0.0 111.896 175.274 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.87 11.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -25.73 66.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.758 1.617 . . . . 0.0 112.669 167.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.31 69.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.447 -0.783 . . . . 0.0 112.416 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -37.32 72.44 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.46 1.027 . . . . 0.0 110.743 170.052 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -66.84 -19.92 65.83 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -29.51 70.39 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.631 -1.293 . . . . 0.0 111.74 169.608 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.28 82.21 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.304 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' LEU . . . . . 0.58 HD22 HD22 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -56.99 -45.64 82.83 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.922 1.237 . . . . 0.0 110.383 174.434 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.04 83.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.973 0.909 . . . . 0.0 111.994 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -65.46 -45.91 81.89 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.424 0.69 . . . . 0.0 112.078 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -61.55 -32.5 72.58 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.289 1.436 . . . . 0.0 113.433 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.27 73.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.045 0.938 . . . . 0.0 111.307 169.117 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.62 -26.61 41.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.913 0.885 . . . . 0.0 113.02 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -28.83 63.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.094 0.958 . . . . 0.0 112.566 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.19 -27.12 68.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.171 1.789 . . . . 0.0 113.158 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 125.265 1.426 . . . . 0.0 112.637 169.882 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.8 t80 . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.26 -45.85 79.1 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.614 -0.678 . . . . 0.0 110.924 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.3 m -59.06 -38.34 79.15 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.84 0.856 . . . . 0.0 112.244 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -77.35 -38.32 50.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.32 1.048 . . . . 0.0 112.155 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.14 -39.99 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.212 1.369 . . . . 0.0 111.198 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.7 m -61.1 -52.79 63.41 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.443 1.019 . . . . 0.0 112.089 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.06 75.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.59 0.756 . . . . 0.0 111.247 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.62 -49.8 61.24 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 117.037 -1.458 . . . . 0.0 111.813 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 t -59.75 -32.83 70.93 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.0 1.727 . . . . 0.0 112.571 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -78.7 -31.37 46.53 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.029 -1.044 . . . . 0.0 113.22 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.98 -30.48 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.453 -1.404 . . . . 0.0 111.652 168.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.7 -44.11 97.56 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.826 1.194 . . . . 0.0 109.787 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -49.4 76.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.829 1.652 . . . . 0.0 112.576 170.833 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.41 -5.88 45.01 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.47 -28.31 59.19 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.647 -1.283 . . . . 0.0 111.534 167.437 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -98.19 -46.14 5.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.751 0.821 . . . . 0.0 112.204 -177.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.263 85.3 t 54.29 54.08 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 123.132 1.444 . . . . 0.0 112.274 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 72' ' ' THR . 8.5 m -139.29 -145.98 0.2 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.448 1.899 . . . . 0.0 107.91 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' THR . . . . . 0.564 ' H ' HG22 ' A' ' 71' ' ' THR . 62.0 m -52.76 -29.76 29.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.313 1.845 . . . . 0.0 113.702 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' THR . . . . . 0.569 HG22 ' HB3' ' A' ' 21' ' ' ASN . 27.2 p -95.45 43.79 1.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.121 0.968 . . . . 0.0 111.534 -155.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.35 -62.64 0.04 OUTLIER Glycine 0 CA--C 1.532 1.123 0 C-N-CA 126.025 1.774 . . . . 0.0 113.058 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t 45.82 28.88 0.63 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.457 1.903 . . . . 0.0 115.686 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 60.71 110.68 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.921 2.488 . . . . 0.0 113.389 -170.532 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 58.71 79.96 0.29 Allowed Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.956 1.302 . . . . 0.0 111.13 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.84 169.5 18.86 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.624 2.216 . . . . 0.0 112.087 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.62 -27.91 7.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.852 165.625 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -40.1 88.04 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.943 1.247 . . . . 0.0 111.888 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -40.61 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.721 0.691 . . . . 0.0 111.44 177.82 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 t -68.34 -41.71 80.36 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.05 0.54 . . . . 0.0 110.99 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -60.95 -42.73 98.81 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 115.968 -1.968 . . . . 0.0 111.379 167.277 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' HA ' HD23 ' A' ' 87' ' ' LEU . 1.2 t -48.45 -43.09 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 121.369 1.895 . . . . 0.0 112.903 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.39 98.93 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.129 0.877 . . . . 0.0 112.764 177.713 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -72.96 -39.36 66.22 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.557 1.543 . . . . 0.0 112.464 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 13' ' ' VAL . 1.7 tp -52.81 -49.43 65.66 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 127.28 2.232 . . . . 0.0 110.426 170.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.69 -38.49 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 119.209 0.913 . . . . 0.0 110.853 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.4 69.11 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.757 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.24 -37.36 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 111.923 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 91' ' ' LEU . 1.2 tm? -63.32 -48.81 76.46 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.73 2.012 . . . . 0.0 111.111 174.368 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -59.4 -39.74 84.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.459 0.572 . . . . 0.0 111.264 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -68.87 -34.45 75.47 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.84 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -63.03 -44.82 94.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.22 1.827 . . . . 0.0 111.92 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -61.41 -48.83 79.42 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.569 0.622 . . . . 0.0 111.383 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.6 m -67.64 -28.61 67.86 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -70.32 -38.71 74.99 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.586 1.154 . . . . 0.0 111.518 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.34 -22.56 61.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -47.69 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.361 0.982 . . . . 0.0 110.782 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.861 1.265 . . . . 0.0 114.141 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -140.8 167.62 21.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.502 1.521 . . . . 0.0 110.433 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.338 1.0 OUTLIER 47.79 15.95 0.07 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.667 2.387 . . . . 0.0 116.484 -176.249 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -136.61 -46.99 0.61 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.49 1.516 . . . . 0.0 112.108 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.0 tp60 -68.8 -32.79 72.76 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.353 -0.842 . . . . 0.0 110.574 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -58.56 -25.33 62.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.599 1.159 . . . . 0.0 112.437 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.95 -38.0 46.26 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.465 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -35.67 79.06 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.155 0.582 . . . . 0.0 111.568 168.548 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -65.21 -39.9 93.41 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.587 -0.696 . . . . 0.0 111.48 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -60.13 -38.55 83.41 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.037 176.115 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.98 75.1 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.082 0.856 . . . . 0.0 111.484 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -34.65 78.13 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.93 . . . . 0.0 113.363 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -80.89 -33.63 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.708 0.803 . . . . 0.0 112.693 -176.095 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.5 mt -69.78 -37.34 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.432 -0.792 . . . . 0.0 109.381 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -40.65 72.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.882 1.219 . . . . 0.0 112.048 169.642 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -60.37 -21.91 62.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 170.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.34 -54.51 4.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.248 1.019 . . . . 0.0 111.857 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -67.93 -38.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.025 -1.047 . . . . 0.0 113.361 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -78.75 -6.63 56.4 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.198 0.999 . . . . 0.0 112.098 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -62.47 -23.66 67.02 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.392 -1.443 . . . . 0.0 112.99 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.47 7.21 14.93 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.826 1.25 . . . . 0.0 113.431 170.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.327 10.1 p 68.85 16.07 8.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 129.908 3.283 . . . . 0.0 115.236 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -71.11 107.5 4.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.465 1.506 . . . . 0.0 112.999 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -67.35 -39.99 85.79 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.416 -1.427 . . . . 0.0 111.889 170.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.5 m -62.74 -22.74 66.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.64 -21.91 63.25 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.342 1.057 . . . . 0.0 113.311 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -68.08 -22.89 64.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.385 -0.822 . . . . 0.0 113.062 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.86 73.36 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.637 -1.289 . . . . 0.0 111.957 167.808 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 65' ' ' LEU . 59.9 mmt-85 -66.93 -18.33 65.33 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 173.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.5 -40.2 62.13 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.525 1.057 . . . . 0.0 112.402 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -68.31 -29.02 67.68 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.357 1.063 . . . . 0.0 112.768 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.4 -39.98 37.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.853 0.861 . . . . 0.0 111.899 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.29 -37.16 64.45 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.757 1.223 . . . . 0.0 111.59 169.197 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 m -57.04 -23.12 44.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -27.49 62.73 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.643 -1.286 . . . . 0.0 112.864 172.643 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.89 86.13 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.957 -1.089 . . . . 0.0 111.437 169.337 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -43.91 72.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.727 1.211 . . . . 0.0 111.562 173.125 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.34 72.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -39.4 61.38 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.716 0.807 . . . . 0.0 112.519 175.017 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.8 m -60.34 -39.63 87.8 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.89 -1.131 . . . . 0.0 112.522 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.94 -50.12 74.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.588 1.555 . . . . 0.0 111.33 167.478 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.12 69.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -22.89 67.09 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -33.56 74.18 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.9 1.227 . . . . 0.0 112.161 171.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp -64.76 -24.17 67.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.659 1.184 . . . . 0.0 112.915 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.3 pt -110.3 14.94 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.303 1.841 . . . . 0.0 112.212 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m 58.29 16.1 3.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.652 1.981 . . . . 0.0 115.191 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -94.03 -0.56 55.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.747 1.219 . . . . 0.0 112.555 -172.664 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.0 p -86.12 2.05 48.21 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.4 t -51.98 -29.73 21.91 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -173.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.59 23.3 0.22 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.152 0.882 . . . . 0.0 114.432 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 p -157.29 38.15 0.29 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.757 1.223 . . . . 0.0 113.133 -164.353 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.7 m -29.17 -64.37 0.1 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 128.153 2.581 . . . . 0.0 115.995 -168.48 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.96 64.81 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.04 1.336 . . . . 0.0 112.422 165.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -52.19 -40.57 61.69 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.474 -1.392 . . . . 0.0 113.534 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -63.46 -47.29 82.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.193 0.906 . . . . 0.0 112.215 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -44.66 77.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.826 0.85 . . . . 0.0 111.282 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -62.14 -45.6 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.862 0.865 . . . . 0.0 111.417 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -62.3 -48.13 81.24 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.917 0.887 . . . . 0.0 112.496 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -50.68 72.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.66 -0.65 . . . . 0.0 111.798 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.66 -41.36 96.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.672 -1.156 . . . . 0.0 111.478 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.9 m -51.8 -41.07 61.42 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.581 1.152 . . . . 0.0 111.311 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -74.49 -32.36 62.51 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.361 1.064 . . . . 0.0 113.234 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.02 -33.54 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 120.234 -1.541 . . . . 0.0 111.674 168.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 29' ' ' ARG . 1.9 mt -63.72 -42.08 97.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.438 1.017 . . . . 0.0 110.451 172.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -56.24 -46.57 79.52 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.437 -0.789 . . . . 0.0 112.422 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -66.82 -3.06 5.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 t -67.25 -33.05 74.5 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.347 -1.471 . . . . 0.0 112.228 166.703 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -34.64 10.16 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -168.738 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t 41.01 69.56 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 127.041 2.136 . . . . 0.0 112.708 174.521 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 t -152.94 -56.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 t -151.45 9.9 0.56 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.852 1.261 . . . . 0.0 112.136 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.82 16.73 0.65 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.326 2.25 . . . . 0.0 114.978 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.92 60.64 6.26 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.422 1.011 . . . . 0.0 113.367 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 m -58.82 10.92 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -174.069 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -148.43 128.24 13.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.719 2.408 . . . . 0.0 108.049 166.085 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 34.78 63.51 1.96 Allowed Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 126.848 2.059 . . . . 0.0 114.627 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 168.53 15.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.783 2.322 . . . . 0.0 113.08 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.16 -29.96 15.31 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.805 168.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.65 -42.83 67.07 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.714 1.143 . . . . 0.0 112.819 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.1 -40.87 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.743 0.817 . . . . 0.0 110.728 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -62.5 -39.74 94.47 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.674 -0.641 . . . . 0.0 111.904 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -60.76 -49.99 75.25 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 117.414 -1.279 . . . . 0.0 111.28 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.3 m -60.73 -39.09 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 120.171 1.35 . . . . 0.0 111.929 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.67 90.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.974 1.261 . . . . 0.0 113.058 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.5 m -78.12 -46.82 19.67 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.392 0.542 . . . . 0.0 112.26 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -31.66 72.46 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.413 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.24 -35.02 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 120.737 1.608 . . . . 0.0 110.825 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.67 90.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.567 1.076 . . . . 0.0 112.267 172.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 t -68.17 -43.84 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.712 0.805 . . . . 0.0 111.548 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.99 -42.15 98.83 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.68 1.592 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.1 m -56.6 -39.71 74.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.902 1.228 . . . . 0.0 111.996 171.017 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -49.06 70.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.142 0.883 . . . . 0.0 111.244 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -62.37 -37.77 86.98 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.484 1.114 . . . . 0.0 113.724 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -71.04 -50.2 36.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.437 1.095 . . . . 0.0 111.038 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.1 m -61.05 -32.24 71.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.078 1.308 . . . . 0.0 112.799 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.74 -45.69 91.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.977 0.911 . . . . 0.0 111.406 168.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.89 72.82 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.4 mm -63.5 -42.8 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.325 0.966 . . . . 0.0 111.789 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.6 m -148.53 76.66 1.36 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.494 1.117 . . . . 0.0 112.39 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.31 60.27 0.02 OUTLIER Glycine 0 CA--C 1.532 1.154 0 C-N-CA 123.857 0.741 . . . . 0.0 114.157 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.92 -41.91 25.84 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 -170.003 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.1 m 34.37 54.33 0.61 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 128.122 2.569 . . . . 0.0 114.276 169.384 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.05 -153.82 18.62 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.813 1.197 . . . . 0.0 111.979 -169.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.41 -68.96 1.49 Allowed Glycine 0 CA--C 1.536 1.35 0 O-C-N 122.153 -0.616 . . . . 0.0 113.248 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.6 p 169.94 72.3 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.693 1.997 . . . . 0.0 112.788 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 59.36 -63.33 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.95 2.5 . . . . 0.0 116.271 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -110.23 -11.56 14.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.59 1.556 . . . . 0.0 112.718 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 48.58 47.23 20.74 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.839 1.656 . . . . 0.0 114.074 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.263 21.3 pt20 43.64 54.46 5.47 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.416 1.886 . . . . 0.0 113.569 -169.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.0 m 59.93 50.19 7.03 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.26 1.824 . . . . 0.0 113.044 -172.14 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 51.2 50.89 18.08 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.62 1.968 . . . . 0.0 113.497 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.16 44.52 1.89 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.554 1.542 . . . . 0.0 112.208 -174.61 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -135.63 108.07 7.36 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.064 1.345 . . . . 0.0 111.266 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -81.0 78.43 7.82 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.952 1.301 . . . . 0.0 111.822 -172.737 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.57 172.41 13.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.38 1.872 . . . . 0.0 111.29 -175.015 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.4 m -128.61 -33.46 2.07 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.843 1.657 . . . . 0.0 113.204 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.353 0 C-N-CA 125.479 1.512 . . . . 0.0 111.292 175.456 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.444 0 CA-C-O 118.779 -1.012 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 p 48.09 -171.01 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.86 2.064 . . . . 0.0 114.676 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 52.3 34.48 14.86 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.826 1.25 . . . . 0.0 113.65 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -135.53 -54.36 0.78 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.823 1.249 . . . . 0.0 112.637 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -78.76 -39.26 36.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.783 0.833 . . . . 0.0 109.742 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.47 26.43 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 130.113 3.365 . . . . 0.0 113.261 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -52.95 0.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.631 1.972 . . . . 0.0 109.879 -174.67 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -75.25 -45.05 42.55 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.608 1.094 . . . . 0.0 110.966 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.59 -40.15 92.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.323 -0.86 . . . . 0.0 111.405 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HA ' HG12 ' A' ' 13' ' ' VAL . 4.6 tp -69.04 -36.58 77.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.871 -0.518 . . . . 0.0 112.129 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.47 69.85 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 0.0 110.492 171.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.23 94.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.366 0.985 . . . . 0.0 112.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 10' ' ' LEU . 1.8 p -76.54 -34.1 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.362 -0.836 . . . . 0.0 112.588 -177.683 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.78 -40.61 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.442 -0.786 . . . . 0.0 110.335 168.235 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.45 -48.06 75.07 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.483 1.038 . . . . 0.0 111.527 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -56.19 -42.69 77.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.182 0.901 . . . . 0.0 112.834 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.82 70.18 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -71.43 -42.08 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 120.863 -1.148 . . . . 0.0 111.93 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.8 p -78.75 -10.04 59.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.487 1.115 . . . . 0.0 113.98 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -15.07 7.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.94 1.296 . . . . 0.0 113.907 169.517 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -110.49 20.74 17.41 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.033 1.733 . . . . 0.0 112.025 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 5.1 t 55.48 45.43 25.13 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.943 2.497 . . . . 0.0 115.16 176.026 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -121.33 86.05 2.51 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.176 1.39 . . . . 0.0 112.258 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 m -57.96 -41.23 82.42 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 120.869 -1.144 . . . . 0.0 113.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -59.67 -24.45 63.92 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.543 1.137 . . . . 0.0 113.715 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -67.31 -25.04 65.83 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.626 1.57 . . . . 0.0 112.791 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -68.67 -35.47 77.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.947 0.899 . . . . 0.0 112.245 168.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.43 73.62 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.899 -1.126 . . . . 0.0 112.057 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -63.7 -38.89 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.355 -0.84 . . . . 0.0 111.635 168.762 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.05 -15.43 32.36 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -65.0 -25.05 67.69 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.93 -1.106 . . . . 0.0 112.901 167.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.35 -33.03 63.01 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.984 -1.072 . . . . 0.0 112.809 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -38.23 66.23 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.795 0.838 . . . . 0.0 110.789 168.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.1 m -58.99 -26.51 64.55 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.679 -1.263 . . . . 0.0 114.297 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.08 74.98 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.431 1.014 . . . . 0.0 112.01 173.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.53 94.97 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.693 -0.629 . . . . 0.0 110.696 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.01 -32.48 69.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.846 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.78 94.58 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.469 -0.769 . . . . 0.0 112.221 167.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -63.83 -38.38 90.87 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.278 -0.889 . . . . 0.0 112.122 170.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.9 m -58.98 -30.41 67.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.047 -1.033 . . . . 0.0 113.548 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -39.27 85.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.115 0.966 . . . . 0.0 111.647 173.552 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.1 -39.66 48.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.316 0.646 . . . . 0.0 112.009 173.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.84 -35.46 72.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.826 0.85 . . . . 0.0 113.075 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -56.58 -23.31 39.65 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.448 1.899 . . . . 0.0 114.403 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.22 -26.91 68.32 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.191 -0.943 . . . . 0.0 112.676 172.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.5 mt -105.94 163.6 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 127.171 2.188 . . . . 0.0 108.637 -178.457 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 p -69.9 -86.06 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.759 -1.213 . . . . 0.0 111.961 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 42.13 28.0 0.09 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.293 2.237 . . . . 0.0 115.204 -174.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 m -58.82 -28.86 66.42 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.227 1.811 . . . . 0.0 114.339 -172.302 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.1 p -116.0 8.01 14.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.695 1.998 . . . . 0.0 112.555 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.46 7.22 63.63 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.404 1.955 . . . . 0.0 113.906 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 p 47.61 29.78 1.56 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.435 2.294 . . . . 0.0 116.052 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -59.76 -47.36 85.97 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.129 -0.982 . . . . 0.0 112.583 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -75.55 -35.33 60.68 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 170.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.62 -43.52 84.51 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.602 1.092 . . . . 0.0 111.785 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.8 m -59.92 -40.68 89.66 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.397 -0.815 . . . . 0.0 111.128 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -61.13 -60.13 4.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.29 -31.6 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.812 1.642 . . . . 0.0 113.253 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.0 m -66.12 -43.12 88.05 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.062 1.755 . . . . 0.0 111.736 173.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.17 30.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.434 0.694 . . . . 0.0 111.732 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.86 -38.65 86.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.535 -0.745 . . . . 0.0 112.274 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.8 m -57.65 -51.65 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.15 1.341 . . . . 0.0 111.225 173.514 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.58 -35.72 78.64 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.266 0.939 . . . . 0.0 112.445 174.46 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.54 -26.53 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -38.32 84.84 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.495 1.498 . . . . 0.0 112.424 174.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.8 p -86.22 -36.6 19.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.492 1.042 . . . . 0.0 112.839 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.57 -21.19 63.64 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 m -75.23 -36.76 61.3 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.054 -1.029 . . . . 0.0 112.661 167.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -79.23 -38.27 36.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.6 t 64.62 -49.26 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 129.025 2.93 . . . . 0.0 115.164 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.7 p -67.54 143.75 55.97 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.6 m 61.19 -38.4 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.823 2.449 . . . . 0.0 116.673 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -120.67 14.06 11.72 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.138 1.335 . . . . 0.0 113.651 -171.413 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.28 -1.61 43.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.315 1.436 . . . . 0.0 115.883 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -56.67 110.56 0.81 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.287 1.543 . . . . 0.0 109.864 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -53.72 134.15 41.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.895 0.878 . . . . 0.0 111.794 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 43.68 67.58 3.69 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.349 1.46 . . . . 0.0 112.778 -169.382 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.19 178.64 5.22 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.44 2.76 . . . . 0.0 111.898 -174.666 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -30.71 16.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -42.77 99.1 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.865 1.666 . . . . 0.0 113.733 171.131 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 t -70.73 -37.29 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.572 -1.33 . . . . 0.0 111.278 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -65.17 -35.11 80.07 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.264 -0.897 . . . . 0.0 112.2 169.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -58.52 -49.29 77.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 116.847 -1.549 . . . . 0.0 110.214 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.259 31.1 m -62.49 -39.22 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 121.147 1.794 . . . . 0.0 112.335 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -41.91 90.49 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 120.373 1.442 . . . . 0.0 112.956 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -79.1 -43.96 23.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.93 0.892 . . . . 0.0 112.393 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.45 -36.83 81.96 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.708 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.7 mm -59.59 -36.88 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 120.296 1.407 . . . . 0.0 110.633 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.47 81.22 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.369 0.986 . . . . 0.0 111.65 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.44 -31.09 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.387 1.075 . . . . 0.0 112.671 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -79.76 -46.52 16.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.64 2.376 . . . . 0.0 111.582 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.3 m -61.04 -39.77 91.09 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.118 -0.989 . . . . 0.0 110.76 169.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -66.5 -40.05 89.05 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 117.237 -1.363 . . . . 0.0 113.37 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.0 p -63.67 -36.59 84.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 121.883 2.128 . . . . 0.0 112.038 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.5 m -60.78 -53.53 56.3 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.631 0.772 . . . . 0.0 111.896 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -64.98 -30.23 71.2 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.43 -38.79 71.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.333 1.453 . . . . 0.0 111.262 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.25 -26.88 65.9 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.4 mm -60.45 -44.37 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.234 0.925 . . . . 0.0 111.39 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.3 t -162.12 -48.53 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 172.185 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.38 60.84 0.23 Allowed Glycine 0 N--CA 1.474 1.196 0 C-N-CA 123.818 0.723 . . . . 0.0 114.107 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.1 31.45 2.42 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -168.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.4 m -121.06 -70.68 0.77 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.027 0.931 . . . . 0.0 111.847 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.84 -159.94 7.15 Favored Glycine 0 CA--C 1.542 1.746 0 C-N-CA 124.061 0.838 . . . . 0.0 115.101 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 114.34 49.13 0.54 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 123.898 0.761 . . . . 0.0 114.464 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.9 m 54.5 56.44 6.83 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.426 1.491 . . . . 0.0 114.22 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.85 56.97 0.64 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.405 1.482 . . . . 0.0 113.069 -169.412 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -136.63 -17.15 1.49 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 42.74 45.17 4.06 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.486 1.514 . . . . 0.0 114.674 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 44.09 73.64 0.14 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.467 1.907 . . . . 0.0 112.584 -169.572 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.7 p 45.31 42.1 6.93 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.677 1.991 . . . . 0.0 114.279 -173.454 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 49.87 36.94 12.38 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.72 2.008 . . . . 0.0 114.265 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -142.88 29.21 1.52 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.593 1.557 . . . . 0.0 112.734 -174.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -49.1 115.0 1.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.351 1.46 . . . . 0.0 112.063 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 54.37 129.77 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.735 2.414 . . . . 0.0 115.857 -168.366 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -156.33 140.22 16.23 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.356 1.062 . . . . 0.0 111.057 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -160.15 170.0 22.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.206 1.403 . . . . 0.0 110.937 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.326 0 C-N-CA 127.616 2.366 . . . . 0.0 114.314 -176.46 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -89.05 168.67 12.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.946 1.298 . . . . 0.0 112.441 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.328 0.7 OUTLIER 50.55 10.3 0.06 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.676 2.79 . . . . 0.0 116.906 -174.443 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -139.04 -47.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.387 1.075 . . . . 0.0 113.063 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.63 -29.9 70.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.148 1.34 . . . . 0.0 111.356 166.219 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -57.06 -34.25 68.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.005 0.922 . . . . 0.0 112.343 170.181 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.32 77.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.198 1.363 . . . . 0.0 112.956 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -40.63 70.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.249 0.619 . . . . 0.0 111.15 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.46 -44.6 86.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.864 -0.523 . . . . 0.0 111.344 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.11 -46.0 82.98 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.74 170.314 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.57 72.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.807 1.639 . . . . 0.0 112.301 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -63.51 -46.84 84.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.083 1.31 . . . . 0.0 113.107 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 87' ' ' LEU . 30.9 m -77.02 -31.82 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.85 -49.1 84.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-O 116.85 -1.548 . . . . 0.0 108.526 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -49.55 -49.08 47.74 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.805 1.639 . . . . 0.0 112.139 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -66.58 -4.06 7.78 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.77 -45.11 2.9 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.96 1.704 . . . . 0.0 112.388 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 ' CE2' ' A' ' 80' ' ' PHE . 28.8 m -62.48 -37.1 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.118 1.367 . . . . 0.0 112.151 171.711 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -95.97 -0.93 50.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.83 1.252 . . . . 0.0 111.962 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -57.76 -33.23 68.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.78 -1.2 . . . . 0.0 113.265 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -78.02 -76.63 0.18 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.047 0.939 . . . . 0.0 110.338 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.7 t 169.19 115.17 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.187 2.595 . . . . 0.0 109.429 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -163.15 -53.78 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.653 0.781 . . . . 0.0 112.767 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 67.0 -39.47 0.36 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.285 2.234 . . . . 0.0 115.457 -176.052 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.8 m -68.06 -23.05 64.91 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.368 -1.457 . . . . 0.0 112.947 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -53.68 -23.5 11.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.501 1.921 . . . . 0.0 114.176 169.044 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.91 -35.78 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.119 0.872 . . . . 0.0 113.241 167.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.81 63.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.572 0.749 . . . . 0.0 112.155 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -56.97 -36.08 69.91 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.328 0.967 . . . . 0.0 112.374 173.262 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -22.49 43.87 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -69.6 -26.47 64.46 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.161 -0.962 . . . . 0.0 112.399 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.11 63.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.336 -0.852 . . . . 0.0 112.255 170.497 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.22 -42.5 73.42 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 168.735 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -57.14 -22.01 36.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -32.2 73.31 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.611 1.096 . . . . 0.0 112.71 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -32.08 73.46 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.263 -0.898 . . . . 0.0 112.29 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.92 -37.0 24.8 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.924 1.289 . . . . 0.0 111.195 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.41 93.87 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.589 -0.694 . . . . 0.0 111.372 165.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -63.05 -41.58 99.52 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.026 0.93 . . . . 0.0 112.195 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 t -54.23 -47.1 72.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.705 1.139 . . . . 0.0 112.429 171.495 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.391 1.076 . . . . 0.0 112.118 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.4 -38.57 55.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -35.86 77.43 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.656 -1.277 . . . . 0.0 113.034 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -28.07 68.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.193 0.997 . . . . 0.0 113.269 172.365 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.0 tp -82.8 -39.1 22.21 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.405 1.082 . . . . 0.0 111.879 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.7 mt -68.86 -28.64 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.176 1.39 . . . . 0.0 112.293 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m 79.75 3.79 2.08 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.718 2.807 . . . . 0.0 114.899 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -81.31 4.37 20.83 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.9 m -51.73 -11.28 0.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 t -59.31 -27.15 65.61 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.288 1.404 . . . . 0.0 114.459 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.31 -21.66 4.0 Favored Glycine 0 N--CA 1.476 1.366 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.3 p -147.89 38.62 0.92 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.678 1.239 . . . . 0.0 113.831 -176.425 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 t -38.54 -61.56 0.69 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.714 2.006 . . . . 0.0 113.667 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -155.51 -53.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.236 1.815 . . . . 0.0 109.611 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -32.87 74.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 m -60.65 -44.09 96.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.031 0.832 . . . . 0.0 111.552 173.41 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -35.76 66.81 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.109 175.558 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.5 mt -58.39 -42.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.887 1.221 . . . . 0.0 110.624 170.611 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.9 m -58.7 -33.08 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 121.321 1.873 . . . . 0.0 113.254 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.52 -55.42 5.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.27 0.628 . . . . 0.0 111.993 171.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -47.69 84.47 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 124.262 1.025 . . . . 0.0 111.816 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' THR . . . . . 0.489 ' HA ' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -60.41 -34.67 74.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 112.334 178.896 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -66.07 -52.01 52.8 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.397 -1.44 . . . . 0.0 111.267 167.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.64 -33.42 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 126.12 1.768 . . . . 0.0 113.729 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -53.71 -49.99 66.89 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.913 1.685 . . . . 0.0 111.236 174.57 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -43.06 48.3 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.28 -17.08 63.3 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 t -56.1 -25.75 46.98 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.865 1.266 . . . . 0.0 113.096 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.68 -29.72 40.88 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t 55.08 170.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 127.415 2.286 . . . . 0.0 112.5 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 m 68.98 5.37 5.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.866 -1.771 . . . . 0.0 114.439 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 t -149.19 -154.33 0.55 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.768 1.627 . . . . 0.0 110.371 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.9 p -41.33 135.1 2.06 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.572 1.549 . . . . 0.0 112.589 165.481 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.5 -119.46 1.02 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.834 1.207 . . . . 0.0 111.109 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.2 m -65.99 34.94 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.985 2.114 . . . . 0.0 115.123 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -135.98 17.44 3.25 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.268 1.827 . . . . 0.0 112.674 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 m120 40.88 66.79 3.29 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 127.15 2.18 . . . . 0.0 113.994 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -69.08 166.64 26.07 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.186 2.591 . . . . 0.0 113.299 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.12 -34.48 44.6 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.093 0.957 . . . . 0.0 112.534 172.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CE2' HG12 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -60.2 -57.19 13.87 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.757 1.223 . . . . 0.0 113.146 170.858 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -34.46 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.44 1.018 . . . . 0.0 111.304 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.7 t -68.21 -44.05 76.66 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.228 1.011 . . . . 0.0 111.998 171.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -55.87 -40.73 73.37 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 117.388 -1.292 . . . . 0.0 111.21 170.54 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.12 -38.81 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 120.789 1.631 . . . . 0.0 112.423 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -67.4 -47.63 69.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.95 1.25 . . . . 0.0 112.293 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.8 m -64.84 -42.93 94.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.08 0.952 . . . . 0.0 112.187 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -74.05 -31.37 62.85 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.425 179.106 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mm -54.79 -38.89 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 121.655 2.025 . . . . 0.0 111.367 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -49.11 76.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.42 0.554 . . . . 0.0 111.878 171.036 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.45 -35.63 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.439 1.096 . . . . 0.0 113.031 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -52.08 48.21 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.982 2.113 . . . . 0.0 110.535 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -62.13 -43.09 99.59 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.238 0.472 . . . . 0.0 111.727 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -65.47 -37.4 86.74 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.675 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.9 t -64.11 -41.86 97.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.391 1.45 . . . . 0.0 111.52 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.2 m -60.76 -51.4 69.49 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.798 -0.564 . . . . 0.0 111.853 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.5 m -64.35 -31.04 72.09 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -70.05 -44.34 69.39 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.061 1.345 . . . . 0.0 110.951 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.35 70.94 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.181 0.901 . . . . 0.0 113.41 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.91 -33.25 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.524 1.13 . . . . 0.0 112.643 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 p -159.79 58.89 0.37 Allowed 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 179.26 86.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.093 0 O-C-N 120.988 -1.07 . . . . 0.0 113.589 -171.395 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.18 -21.48 66.58 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.7 p -70.4 107.82 3.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.955 1.702 . . . . 0.0 111.943 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.02 -62.35 0.02 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.995 0.807 . . . . 0.0 113.909 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.27 -116.92 0.74 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.254 0.93 . . . . 0.0 112.12 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.3 m -143.89 73.36 1.38 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.031 1.733 . . . . 0.0 110.823 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.8 39.76 0.07 Allowed 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 125.651 1.581 . . . . 0.0 114.288 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -96.03 -16.28 21.73 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.615 1.566 . . . . 0.0 114.093 -169.196 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -150.96 75.92 1.22 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.13 1.772 . . . . 0.0 111.118 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 44.98 58.21 4.17 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.295 1.838 . . . . 0.0 113.356 -172.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 t 57.7 53.51 7.1 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.974 1.31 . . . . 0.0 112.698 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 42.04 42.6 2.43 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.432 2.293 . . . . 0.0 114.883 -177.167 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -96.04 -16.8 21.4 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 48.32 40.11 13.76 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.032 1.733 . . . . 0.0 114.824 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -141.82 123.58 15.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.607 1.563 . . . . 0.0 110.393 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 61.79 149.37 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.785 2.434 . . . . 0.0 114.417 -170.088 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -160.73 55.22 0.31 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.615 1.166 . . . . 0.0 111.614 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.615 1.566 . . . . 0.0 112.055 -179.544 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m 54.07 -174.94 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.662 1.585 . . . . 0.0 113.719 -168.573 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 54.86 29.33 11.82 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.395 1.478 . . . . 0.0 113.696 -172.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -144.09 -57.77 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 111.921 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.65 -27.7 64.99 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.822 1.192 . . . . 0.0 112.053 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -53.81 -44.41 70.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.353 1.861 . . . . 0.0 112.875 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -30.42 71.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.276 0.944 . . . . 0.0 113.05 -175.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.82 -34.36 60.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.517 0.727 . . . . 0.0 111.158 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.37 -45.53 87.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.149 164.043 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.73 -48.28 66.8 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.599 1.091 . . . . 0.0 110.877 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.8 -45.91 78.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.068 0.849 . . . . 0.0 112.338 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.56 87.48 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.759 1.163 . . . . 0.0 113.542 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -80.64 -35.71 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.14 -0.975 . . . . 0.0 112.527 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.7 -44.04 99.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-O 117.289 -1.339 . . . . 0.0 107.836 170.256 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -53.77 -47.23 70.94 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.227 1.376 . . . . 0.0 112.029 173.552 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -60.3 -38.26 83.08 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.38 -50.92 23.04 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.217 1.007 . . . . 0.0 113.039 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG12 ' CD2' ' A' ' 80' ' ' PHE . 31.8 m -65.07 -33.3 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.217 1.407 . . . . 0.0 112.322 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.63 -12.71 47.75 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.185 0.994 . . . . 0.0 112.944 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -14.7 18.32 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.406 1.083 . . . . 0.0 113.416 170.515 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -101.19 19.64 17.21 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.418 1.887 . . . . 0.0 112.294 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 7.5 t 53.21 51.5 15.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.995 2.518 . . . . 0.0 114.364 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -120.14 76.71 1.19 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.219 1.407 . . . . 0.0 111.779 -174.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 m -58.1 -24.18 57.7 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.551 -1.343 . . . . 0.0 113.39 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -53.58 -26.4 21.48 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.804 -1.185 . . . . 0.0 113.758 171.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -72.2 -24.47 61.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.517 1.127 . . . . 0.0 112.846 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -66.75 -28.79 68.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.915 0.78 . . . . 0.0 113.094 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.52 81.02 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.821 0.737 . . . . 0.0 111.503 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.95 -22.98 67.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -50.78 -38.6 49.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.147 1.34 . . . . 0.0 112.975 171.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.54 -23.32 63.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.214 1.406 . . . . 0.0 112.765 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.51 -31.58 24.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.686 1.194 . . . . 0.0 112.657 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.87 -33.71 68.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.135 1.334 . . . . 0.0 111.284 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -59.62 -22.14 61.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -31.47 68.95 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.727 -1.233 . . . . 0.0 112.153 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.2 92.95 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.475 -0.765 . . . . 0.0 111.32 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -46.09 68.87 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.506 0.723 . . . . 0.0 112.095 173.008 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.85 -39.51 77.88 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.524 0.602 . . . . 0.0 111.958 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 m -69.68 -40.71 76.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.118 0.967 . . . . 0.0 112.766 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 m -63.96 -37.64 88.16 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.369 1.068 . . . . 0.0 113.485 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -40.2 81.24 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.744 1.617 . . . . 0.0 111.299 171.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.71 -32.99 64.18 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.635 -0.666 . . . . 0.0 112.559 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -39.18 72.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.189 0.996 . . . . 0.0 111.936 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.65 -21.89 64.8 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.74 -32.4 69.56 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.181 -0.95 . . . . 0.0 112.718 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 pt -103.71 -176.28 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 126.844 2.057 . . . . 0.0 110.566 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.1 t -60.14 -70.26 0.18 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.131 -0.981 . . . . 0.0 111.895 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 43.99 25.95 0.12 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.459 1.903 . . . . 0.0 115.564 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 m -62.57 -37.51 86.45 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.393 -1.442 . . . . 0.0 113.755 -173.455 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 t -83.62 -9.96 58.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.954 0.902 . . . . 0.0 112.571 171.296 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.59 -29.62 72.4 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 125.53 1.538 . . . . 0.0 113.013 171.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.8 t 47.62 65.76 1.2 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.365 1.583 . . . . 0.0 113.995 168.704 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t 54.5 57.0 6.17 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.626 1.171 . . . . 0.0 111.985 -168.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 37.1 55.36 1.27 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.548 2.339 . . . . 0.0 114.921 -177.461 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -38.13 4.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.589 1.956 . . . . 0.0 115.025 -175.235 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -65.9 -49.28 68.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.25 0.932 . . . . 0.0 111.681 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -40.43 73.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.385 1.074 . . . . 0.0 111.929 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mm -65.86 -46.99 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 117.543 -1.218 . . . . 0.0 110.414 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 t -61.26 -42.22 98.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.771 1.623 . . . . 0.0 111.694 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.95 61.88 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.664 -0.648 . . . . 0.0 112.603 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.58 -38.59 91.53 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.065 1.302 . . . . 0.0 111.796 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.6 m -53.77 -45.11 70.53 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.608 1.094 . . . . 0.0 111.432 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -64.45 -38.26 90.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.5 -34.09 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.802 1.637 . . . . 0.0 111.506 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -62.83 -48.14 80.37 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.47 1.032 . . . . 0.0 110.247 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 p -65.26 -49.1 70.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.096 0.559 . . . . 0.0 112.161 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -55.47 -27.4 48.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.358 2.263 . . . . 0.0 114.255 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.12 -40.11 92.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.169 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -72.81 -52.74 13.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.419 0.688 . . . . 0.0 111.661 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.07 145.63 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.685 1.594 . . . . 0.0 109.477 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.3 t -50.59 122.59 7.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.165 0.507 . . . . 0.0 112.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.7 p 41.28 56.7 3.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.054 2.542 . . . . 0.0 116.735 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -34.11 123.39 0.49 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.268 1.827 . . . . 0.0 114.15 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -78.49 0.61 Allowed Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.768 1.175 . . . . 0.0 112.051 -167.5 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 p -168.93 46.1 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.137 1.375 . . . . 0.0 113.34 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.7 t30 60.63 21.82 11.68 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.269 1.428 . . . . 0.0 112.725 -171.212 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -163.54 78.25 1.66 Allowed Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 127.464 2.306 . . . . 0.0 107.878 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -69.01 177.58 4.92 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.44 2.093 . . . . 0.0 110.697 175.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.5 -27.42 4.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 167.127 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CD2' HG12 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -72.73 -42.9 63.61 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.693 1.197 . . . . 0.0 112.255 -177.225 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 t -72.13 -40.77 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.668 1.122 . . . . 0.0 111.171 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -61.42 -41.33 96.98 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.01 0.823 . . . . 0.0 111.116 173.141 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -61.77 -33.89 74.9 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 116.059 -1.924 . . . . 0.0 112.555 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.2 t -54.06 -45.16 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 122.922 2.601 . . . . 0.0 111.276 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -67.9 -48.03 67.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 121.606 2.003 . . . . 0.0 112.894 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -62.06 -44.64 96.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.606 -0.684 . . . . 0.0 112.081 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.0 -38.27 72.66 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.237 -1.839 . . . . 0.0 111.326 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.47 -39.15 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 122.37 2.35 . . . . 0.0 110.13 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.04 87.65 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.784 0.72 . . . . 0.0 112.708 172.205 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.61 -46.08 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.893 0.877 . . . . 0.0 112.094 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.63 -45.2 81.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.302 2.241 . . . . 0.0 111.244 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 m -59.67 -48.98 79.52 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.03 0.832 . . . . 0.0 111.985 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -67.33 -32.27 73.12 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.706 173.64 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 m -67.76 -43.79 79.0 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.048 1.749 . . . . 0.0 112.224 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.6 m -62.83 -48.67 78.06 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.909 0.777 . . . . 0.0 111.086 172.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.9 m -64.21 -34.22 77.59 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.67 -19.58 59.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.142 1.377 . . . . 0.0 112.582 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.57 -31.48 26.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.928 1.24 . . . . 0.0 112.473 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 mm -58.02 -43.33 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.91 1.284 . . . . 0.0 111.708 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.3 m -145.44 54.18 1.19 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.804 1.242 . . . . 0.0 113.091 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.42 -24.35 65.8 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 120.811 -1.181 . . . . 0.0 115.215 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.41 91.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.067 0.947 . . . . 0.0 113.269 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.0 t -75.35 -33.7 61.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.653 0.781 . . . . 0.0 112.335 173.006 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 57.59 -98.84 0.09 OUTLIER Glycine 0 CA--C 1.533 1.219 0 C-N-CA 126.153 1.835 . . . . 0.0 114.257 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.4 30.17 31.14 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.115 0.864 . . . . 0.0 114.648 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t 57.25 62.77 2.08 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.822 1.649 . . . . 0.0 113.627 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.5 -50.32 23.62 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.518 1.927 . . . . 0.0 115.607 -168.601 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -128.36 -3.35 5.54 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.483 1.513 . . . . 0.0 112.896 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.06 33.79 1.82 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.464 1.906 . . . . 0.0 114.68 -175.62 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -155.39 -61.33 0.11 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.397 1.479 . . . . 0.0 110.382 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 m -87.91 34.33 0.72 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.354 1.862 . . . . 0.0 113.162 -172.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.19 50.43 1.03 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.634 1.574 . . . . 0.0 110.305 -171.497 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 54.51 45.45 26.96 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.575 1.95 . . . . 0.0 113.915 -172.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -137.92 60.07 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.686 1.195 . . . . 0.0 112.248 -172.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -146.33 172.51 13.38 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.796 1.238 . . . . 0.0 112.492 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -139.58 132.14 28.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.951 1.3 . . . . 0.0 110.869 175.04 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -158.34 177.27 11.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.643 1.577 . . . . 0.0 111.117 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.334 0 C-N-CA 126.749 2.02 . . . . 0.0 113.497 -170.875 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -55.8 158.96 3.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.711 0.804 . . . . 0.0 112.345 168.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.3 0.3 OUTLIER 46.28 21.03 0.1 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 -173.213 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -147.08 -45.05 0.18 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.055 1.342 . . . . 0.0 113.246 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -94.7 -38.36 10.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.93 0.786 . . . . 0.0 110.743 170.548 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.11 29.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 128.717 2.807 . . . . 0.0 113.955 172.084 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD13 HD22 ' A' ' 37' ' ' LEU . 3.5 pp -138.05 -37.72 0.58 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.541 1.536 . . . . 0.0 112.672 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.15 -45.54 9.5 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.016 0.825 . . . . 0.0 110.007 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.44 -43.62 96.63 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.048 0.939 . . . . 0.0 110.176 161.632 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.66 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -70.12 -30.68 67.93 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.093 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.27 49.04 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.09 -1.006 . . . . 0.0 110.344 166.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.352 -0.842 . . . . 0.0 113.088 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -80.96 -35.79 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.4 -0.813 . . . . 0.0 112.552 -175.922 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.46 -39.27 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.666 0.666 . . . . 0.0 109.65 168.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -41.48 96.78 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.337 0.971 . . . . 0.0 111.641 172.52 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -59.6 -22.95 62.52 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.319 -0.863 . . . . 0.0 113.184 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.3 -57.71 2.83 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.744 1.217 . . . . 0.0 112.079 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.45 -35.03 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 120.653 -1.279 . . . . 0.0 113.51 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -95.01 3.46 54.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.765 1.626 . . . . 0.0 111.332 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -55.61 -30.49 61.0 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.875 -1.141 . . . . 0.0 112.222 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -81.01 -94.11 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.502 1.521 . . . . 0.0 109.564 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -165.73 39.37 0.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.222 1.487 . . . . 0.0 111.965 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.94 56.93 0.64 Allowed 'General case' 0 CA--C 1.547 0.837 0 O-C-N 119.904 -1.748 . . . . 0.0 112.213 -155.04 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -52.91 -34.34 54.68 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.4 -1.437 . . . . 0.0 114.654 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -63.96 -29.46 70.62 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.769 -1.207 . . . . 0.0 112.98 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -28.47 69.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.951 1.301 . . . . 0.0 112.219 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -62.93 -22.51 66.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.7 70.95 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.732 1.151 . . . . 0.0 112.535 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -14.35 60.4 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.94 68.76 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.326 1.421 . . . . 0.0 111.875 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -72.7 -22.45 60.89 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.506 1.122 . . . . 0.0 113.129 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.53 38.14 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.955 -1.091 . . . . 0.0 112.126 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.63 -34.66 69.55 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.052 -1.03 . . . . 0.0 111.13 165.081 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -61.98 -25.42 67.61 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -34.54 65.31 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.69 1.132 . . . . 0.0 112.145 173.372 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.14 42.05 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.63 -0.669 . . . . 0.0 111.873 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.572 HD22 HD13 ' A' ' 7' ' ' LEU . 3.6 pp -65.57 -30.34 71.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 177.067 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.43 68.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.922 0.783 . . . . 0.0 112.282 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -59.59 -40.19 86.62 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.464 -0.772 . . . . 0.0 110.766 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -63.72 -21.49 66.43 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.41 75.29 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.269 1.395 . . . . 0.0 111.186 170.025 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.4 27.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 112.622 171.427 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -69.99 -16.61 63.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.778 -1.201 . . . . 0.0 113.645 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.2 -32.25 72.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.296 1.438 . . . . 0.0 111.94 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.11 -35.15 77.67 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.951 0.901 . . . . 0.0 113.158 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.2 pt -85.23 167.85 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.658 0.783 . . . . 0.0 111.615 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.2 m -114.38 -11.78 12.47 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -83.65 19.84 1.55 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.241 1.816 . . . . 0.0 113.768 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -134.36 22.0 3.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.273 2.229 . . . . 0.0 112.213 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t 57.78 6.52 0.46 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.208 1.803 . . . . 0.0 114.821 -172.393 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.44 10.48 53.66 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.106 1.336 . . . . 0.0 114.586 -165.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.1 p -161.08 31.11 0.14 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.374 1.587 . . . . 0.0 114.358 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.8 p -58.31 -8.37 1.13 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.407 ' CE2' HD13 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -46.69 -34.97 5.56 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.346 1.458 . . . . 0.0 113.927 174.123 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -65.62 -36.82 84.83 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.889 . . . . 0.0 112.827 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -60.94 -42.84 98.99 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.604 -0.685 . . . . 0.0 110.774 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.19 -56.72 12.77 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.676 -1.155 . . . . 0.0 111.983 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.407 HD13 ' CE2' ' A' ' 54' ' ' TYR . 1.2 pt -62.51 -30.36 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.297 1.862 . . . . 0.0 112.747 -175.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.7 t -70.66 -44.12 67.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.086 0.954 . . . . 0.0 112.003 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.85 -50.46 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.205 -0.934 . . . . 0.0 111.267 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -48.55 76.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.349 1.459 . . . . 0.0 112.055 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -61.76 -31.76 71.98 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.507 1.503 . . . . 0.0 113.11 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -75.46 -35.87 60.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.06 -1.025 . . . . 0.0 112.714 169.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.99 -30.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.837 1.255 . . . . 0.0 111.512 170.45 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -56.57 -41.85 77.6 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.362 1.437 . . . . 0.0 111.166 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -46.53 85.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 111.763 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 -10.86 59.9 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.064 1.346 . . . . 0.0 114.089 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.0 m -81.16 -23.39 38.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.549 1.54 . . . . 0.0 112.638 168.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -35.42 10.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.484 0.714 . . . . 0.0 112.425 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t 55.38 61.46 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.991 1.716 . . . . 0.0 112.594 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.9 p -140.28 -168.52 2.56 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.4 1.88 . . . . 0.0 110.964 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.0 m -44.86 -37.02 3.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.02 1.728 . . . . 0.0 113.204 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -85.73 50.1 1.9 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.29 1.836 . . . . 0.0 112.653 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.14 83.91 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.891 0.758 . . . . 0.0 114.22 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 t -145.36 47.87 1.28 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.642 1.177 . . . . 0.0 112.529 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.0 t30 62.28 107.75 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 128.286 2.634 . . . . 0.0 114.059 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 54.6 73.43 0.89 Allowed Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.265 1.426 . . . . 0.0 111.83 -166.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -65.16 -178.97 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.602 2.868 . . . . 0.0 111.78 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.82 -33.46 4.48 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.818 0.847 . . . . 0.0 113.122 169.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.41 -39.6 81.58 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.162 0.892 . . . . 0.0 113.322 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.12 -41.99 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.86 0.864 . . . . 0.0 110.659 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.19 94.83 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.93 -0.481 . . . . 0.0 111.277 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -63.21 -34.97 78.8 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.868 -1.539 . . . . 0.0 111.593 168.1 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.07 -41.8 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 121.222 1.828 . . . . 0.0 111.687 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.07 -44.06 81.06 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.203 1.365 . . . . 0.0 112.45 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -62.13 -50.08 73.3 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.152 0.981 . . . . 0.0 112.384 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 13' ' ' VAL . 1.4 pp -70.54 -32.89 70.5 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.583 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.0 mm -61.48 -37.24 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.782 1.628 . . . . 0.0 110.501 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.7 76.58 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.699 1.136 . . . . 0.0 111.712 172.727 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.89 -39.74 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 O-C-N 121.531 -0.731 . . . . 0.0 112.236 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.33 -40.28 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.198 1.799 . . . . 0.0 111.947 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 m -62.68 -39.16 93.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.821 1.191 . . . . 0.0 112.056 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -64.13 -48.97 74.02 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.419 -0.8 . . . . 0.0 110.761 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.6 m -61.18 -42.52 98.72 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.322 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.6 p -70.08 -49.13 54.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.108 0.867 . . . . 0.0 110.955 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -58.71 -33.96 70.77 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.642 1.11 . . . . 0.0 112.979 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.03 -50.27 62.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.54 -25.23 67.93 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.1 mm -52.56 -32.8 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.558 1.143 . . . . 0.0 112.33 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.7 p -152.61 31.85 0.51 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.284 1.034 . . . . 0.0 113.729 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.96 61.61 0.08 OUTLIER Glycine 0 CA--C 1.532 1.125 0 O-C-N 121.275 -0.89 . . . . 0.0 113.566 -168.343 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.93 28.78 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.4 m -67.83 94.79 0.48 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.643 1.577 . . . . 0.0 111.601 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -108.29 -23.4 6.68 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.576 1.084 . . . . 0.0 115.269 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.61 32.99 86.02 Favored Glycine 0 CA--C 1.54 1.603 0 CA-C-N 118.543 1.171 . . . . 0.0 115.532 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 t 76.4 110.26 0.07 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.966 2.507 . . . . 0.0 112.439 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.94 -55.85 8.57 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -167.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -75.26 -15.67 60.5 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.194 0.598 . . . . 0.0 112.389 168.333 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.85 38.34 5.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.822 1.649 . . . . 0.0 113.594 -174.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 42.01 73.9 0.12 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.484 1.914 . . . . 0.0 112.177 -165.327 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.3 m 51.42 41.77 28.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.084 1.753 . . . . 0.0 113.743 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 45.83 60.24 3.26 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.344 1.857 . . . . 0.0 112.389 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 62.8 86.28 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.472 2.309 . . . . 0.0 113.073 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -57.86 78.59 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.377 2.671 . . . . 0.0 113.53 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -161.78 171.72 17.35 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.075 2.15 . . . . 0.0 110.108 174.132 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -146.79 163.44 36.02 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.319 1.048 . . . . 0.0 109.716 166.018 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.99 176.17 0.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.52 1.528 . . . . 0.0 114.101 -172.47 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.876 1.671 . . . . 0.0 111.843 -176.081 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -148.98 156.85 42.86 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.848 2.059 . . . . 0.0 110.308 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 56.06 31.86 18.92 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 113.867 -169.752 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -140.71 -43.59 0.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.713 1.205 . . . . 0.0 113.822 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -77.65 -31.29 52.6 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.35 -0.843 . . . . 0.0 110.509 167.328 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.18 -40.1 70.32 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.662 1.185 . . . . 0.0 112.23 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.34 -29.09 68.66 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.91 -38.23 72.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.836 0.855 . . . . 0.0 111.261 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -77.44 -35.41 53.99 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.972 0.909 . . . . 0.0 111.934 171.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -37.44 87.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 125.367 1.467 . . . . 0.0 110.955 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.39 -49.01 73.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.488 167.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.83 -39.12 80.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 121.198 1.817 . . . . 0.0 113.798 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 87' ' ' LEU . 15.7 m -79.07 -32.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 177.651 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.58 -42.84 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.708 1.14 . . . . 0.0 110.101 168.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -56.92 -46.48 81.98 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.826 1.65 . . . . 0.0 110.936 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 m -58.5 -43.64 89.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.1 0.864 . . . . 0.0 112.591 172.161 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.89 67.14 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.87 0.759 . . . . 0.0 111.733 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 m -70.99 -39.38 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.324 -0.86 . . . . 0.0 113.26 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -10.91 59.71 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.513 -0.742 . . . . 0.0 112.833 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -18.06 50.37 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.738 -1.226 . . . . 0.0 113.5 166.666 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -94.63 14.85 19.7 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.033 1.333 . . . . 0.0 112.896 169.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.351 7.9 p 74.15 24.71 1.9 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 130.051 3.34 . . . . 0.0 115.719 175.538 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -97.63 64.3 1.79 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -166.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -55.8 -37.69 68.96 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -61.31 -29.97 70.21 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.032 -1.042 . . . . 0.0 112.615 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -67.98 -21.88 65.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -59.35 -27.19 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 169.498 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.51 92.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.143 0.883 . . . . 0.0 111.846 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -62.19 -37.93 87.18 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 0.0 112.121 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.08 -17.81 63.77 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.566 1.075 . . . . 0.0 113.771 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -69.24 -25.81 64.47 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.763 -1.211 . . . . 0.0 112.819 166.448 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.31 56.22 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.098 -1.001 . . . . 0.0 112.468 169.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -34.73 62.61 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.768 1.167 . . . . 0.0 111.789 166.28 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -61.63 -22.75 65.53 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -31.6 70.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.822 1.192 . . . . 0.0 112.644 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.36 -34.92 25.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.52 0.728 . . . . 0.0 111.593 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.9 -22.87 67.07 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 167.19 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.26 73.83 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.609 -1.307 . . . . 0.0 112.074 168.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -62.49 -34.17 76.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.211 -0.931 . . . . 0.0 111.785 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -61.7 -33.57 74.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.155 0.889 . . . . 0.0 113.027 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.85 92.82 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.078 0.854 . . . . 0.0 111.608 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.27 45.28 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.878 0.871 . . . . 0.0 112.394 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.26 -36.32 83.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.378 1.071 . . . . 0.0 112.784 175.313 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.24 -26.82 30.88 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.772 1.629 . . . . 0.0 114.111 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.12 -20.0 63.6 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.517 1.127 . . . . 0.0 113.477 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.7 96.2 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 127.31 2.244 . . . . 0.0 109.416 -176.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -59.97 -20.93 60.28 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -70.28 17.1 0.06 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.643 1.977 . . . . 0.0 114.772 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.0 p -71.79 14.97 0.16 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.25 2.22 . . . . 0.0 115.425 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t 63.21 27.07 15.46 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.596 1.558 . . . . 0.0 113.493 -171.329 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.87 20.04 79.69 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.527 1.061 . . . . 0.0 115.087 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 m -144.27 112.99 6.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.957 1.703 . . . . 0.0 109.895 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 m -50.12 -55.78 13.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.078 0.951 . . . . 0.0 113.486 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -169.38 67.89 0.06 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.965 1.706 . . . . 0.0 109.459 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -55.96 -33.81 65.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.541 -1.35 . . . . 0.0 112.326 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 m -59.02 -48.86 80.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 111.592 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.04 -36.3 48.68 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.08 0.855 . . . . 0.0 112.903 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.75 -50.43 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.254 1.388 . . . . 0.0 110.604 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -65.39 -48.83 71.52 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.0 0.52 . . . . 0.0 111.681 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.62 68.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.365 0.666 . . . . 0.0 112.4 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.86 -43.92 97.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 117.454 -1.26 . . . . 0.0 110.838 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.8 m -53.46 -42.75 67.5 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.552 1.069 . . . . 0.0 111.746 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.34 -32.28 69.93 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.56 -32.09 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.498 1.119 . . . . 0.0 111.106 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.43 -42.98 99.85 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.299 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -52.34 63.06 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.275 -1.515 . . . . 0.0 111.398 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -13.92 22.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.96 -39.63 49.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.989 0.916 . . . . 0.0 112.787 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.91 -0.494 . . . . 0.0 111.785 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 t 65.95 165.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.018 1.727 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 72' ' ' THR . 10.1 m 64.74 -176.68 0.17 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.012 1.325 . . . . 0.0 111.1 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.529 ' H ' HG22 ' A' ' 71' ' ' THR . 3.7 t 25.99 -91.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.492 2.717 . . . . 0.0 115.356 169.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.529 ' H ' HG23 ' A' ' 72' ' ' THR . 27.0 p -75.96 95.34 3.54 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.964 1.705 . . . . 0.0 111.147 169.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.95 -147.58 4.87 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 126.038 1.78 . . . . 0.0 111.16 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.38 45.32 0.1 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.615 1.566 . . . . 0.0 114.089 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.17 35.19 1.91 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.136 1.774 . . . . 0.0 112.212 -170.585 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.04 68.12 3.82 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.861 1.664 . . . . 0.0 112.991 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.14 175.52 6.55 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.373 2.715 . . . . 0.0 112.929 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.96 -22.12 3.65 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 117.74 -1.124 . . . . 0.0 113.69 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.29 -49.13 15.68 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.417 1.917 . . . . 0.0 112.079 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.1 -35.75 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.645 0.778 . . . . 0.0 111.02 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -69.88 -39.79 76.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.432 -0.793 . . . . 0.0 112.466 172.05 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -47.62 84.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.821 -1.562 . . . . 0.0 110.72 174.519 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.25 27.0 m -58.86 -26.57 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 121.228 1.831 . . . . 0.0 113.745 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -65.1 -44.27 89.39 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 121.177 1.808 . . . . 0.0 112.753 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.66 -38.53 25.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.656 -0.652 . . . . 0.0 112.378 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.541 HD13 HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -64.47 -45.51 87.05 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 117.239 -1.362 . . . . 0.0 111.193 177.129 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.5 mm -60.76 -37.9 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 121.044 1.747 . . . . 0.0 110.294 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -53.52 54.57 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 118.843 0.747 . . . . 0.0 112.056 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.9 t -65.2 -30.86 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.417 -0.802 . . . . 0.0 112.569 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.88 -47.86 56.92 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.091 2.156 . . . . 0.0 111.351 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 m -59.62 -40.87 89.0 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.253 -0.905 . . . . 0.0 111.426 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.96 -40.44 78.89 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.081 -0.961 . . . . 0.0 113.336 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.3 p -66.1 -33.64 76.25 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.849 1.659 . . . . 0.0 112.146 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -59.65 -55.85 29.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.519 0.728 . . . . 0.0 111.66 167.061 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.3 m -61.48 -32.2 72.2 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.833 1.197 . . . . 0.0 113.915 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -68.1 -43.73 77.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.5 1.52 . . . . 0.0 111.563 174.211 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.67 60.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 mm -64.29 -14.62 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.188 1.795 . . . . 0.0 112.193 167.446 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.1 m 82.28 32.97 0.09 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.476 2.31 . . . . 0.0 113.167 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -147.57 29.48 1.45 Allowed Glycine 0 CA--C 1.536 1.356 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -173.38 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.97 95.84 2.36 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.543 1.172 . . . . 0.0 112.274 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.2 m -57.8 116.2 3.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.356 1.062 . . . . 0.0 110.162 170.366 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.86 150.18 48.68 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 123.408 0.528 . . . . 0.0 113.083 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.34 163.07 16.99 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.984 1.278 . . . . 0.0 112.911 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.54 15.74 3.8 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.507 1.523 . . . . 0.0 115.016 -173.69 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 52.22 178.14 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.558 1.943 . . . . 0.0 114.156 -162.657 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 60.56 -18.02 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.417 2.287 . . . . 0.0 116.62 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.02 35.94 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 128.17 2.588 . . . . 0.0 115.17 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -143.12 -60.03 0.42 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.232 1.813 . . . . 0.0 109.383 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 p -68.59 -6.02 23.28 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.01 -47.98 81.41 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.296 1.039 . . . . 0.0 113.429 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -161.34 27.6 0.13 Allowed 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.36 91.47 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 O-C-N 120.714 -1.241 . . . . 0.0 113.099 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -162.92 133.99 4.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.013 2.125 . . . . 0.0 108.664 168.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -149.01 92.66 2.0 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.795 0.838 . . . . 0.0 110.891 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.1 m -151.49 99.55 2.63 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.903 1.681 . . . . 0.0 110.629 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.387 1.475 . . . . 0.0 111.487 174.895 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -123.99 178.14 5.44 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.678 1.591 . . . . 0.0 111.53 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.85 33.49 19.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.69 1.196 . . . . 0.0 113.427 -169.019 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -145.41 -54.33 0.29 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.071 0.949 . . . . 0.0 112.801 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.62 -35.02 79.18 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.509 1.05 . . . . 0.0 110.447 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.27 -23.6 67.08 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.508 -1.235 . . . . 0.0 113.108 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -37.2 74.48 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.285 1.857 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -42.47 54.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.87 0.868 . . . . 0.0 112.084 -176.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -64.59 -47.42 78.72 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.278 0.631 . . . . 0.0 110.791 171.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.71 -34.89 79.25 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.165 0.986 . . . . 0.0 112.1 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.86 -54.81 42.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.367 0.985 . . . . 0.0 110.377 169.225 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.97 85.09 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.074 -1.016 . . . . 0.0 112.411 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -39.95 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.597 1.159 . . . . 0.0 112.92 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -71.66 -38.33 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.8 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -59.79 -32.23 70.43 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.668 1.122 . . . . 0.0 111.705 175.169 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 m -59.45 -15.65 18.67 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 169.614 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.28 -58.14 2.18 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.429 1.892 . . . . 0.0 110.575 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.43 HG13 ' HD2' ' A' ' 26' ' ' LYS . 3.5 t -46.71 -41.03 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 128.424 2.689 . . . . 0.0 112.91 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -104.58 4.9 33.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.332 1.453 . . . . 0.0 112.438 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -60.78 -27.49 68.03 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.039 -1.663 . . . . 0.0 112.816 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -83.2 7.55 15.84 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.606 1.562 . . . . 0.0 113.465 173.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.348 5.9 p 77.3 23.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 129.755 3.222 . . . . 0.0 115.791 174.377 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.95 87.18 6.82 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.5 m -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.102 -0.999 . . . . 0.0 113.475 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.8 m -70.77 -22.99 62.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 114.032 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HD2' HG13 ' A' ' 18' ' ' VAL . 18.7 mttp -71.06 -21.13 62.28 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.615 -1.303 . . . . 0.0 113.466 171.65 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -28.32 62.31 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.183 0.901 . . . . 0.0 112.828 171.048 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.51 81.97 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.272 -0.893 . . . . 0.0 113.014 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.61 -19.91 64.47 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.811 0.844 . . . . 0.0 113.003 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -53.36 -34.66 58.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.36 0.982 . . . . 0.0 113.113 170.043 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -72.64 -23.08 60.86 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.201 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -31.11 68.09 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.995 -1.065 . . . . 0.0 111.572 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -38.01 78.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.1 -1.0 . . . . 0.0 111.345 169.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 m -59.68 -22.52 62.06 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 172.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -38.5 85.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.96 1.255 . . . . 0.0 111.818 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.16 -49.6 55.34 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.691 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.06 -33.45 74.42 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.121 0.873 . . . . 0.0 112.915 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.71 98.27 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.15 0.886 . . . . 0.0 112.226 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -65.79 -41.06 92.44 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.39 0.676 . . . . 0.0 111.753 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -61.21 -36.79 80.85 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.448 1.499 . . . . 0.0 112.883 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.34 79.79 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.79 1.236 . . . . 0.0 111.314 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.67 54.17 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.69 -19.52 52.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.695 1.198 . . . . 0.0 113.243 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 tp -65.6 -35.16 80.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.227 1.411 . . . . 0.0 111.296 168.041 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.41 -24.54 67.88 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.156 1.382 . . . . 0.0 113.999 -175.68 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mp -131.14 120.14 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.675 1.59 . . . . 0.0 108.013 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.1 m -54.59 -54.98 34.16 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -167.552 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 50.34 -38.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 130.579 3.552 . . . . 0.0 118.439 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.2 t -152.24 68.59 0.87 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 129.515 3.126 . . . . 0.0 108.343 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.8 m 51.02 22.6 1.25 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.832 2.053 . . . . 0.0 115.924 -174.085 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.35 19.68 72.71 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.911 1.243 . . . . 0.0 114.405 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 t -149.47 63.16 1.02 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.631 1.215 . . . . 0.0 112.814 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 p -118.97 8.49 11.65 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.862 1.665 . . . . 0.0 113.961 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -79.7 -11.41 59.85 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.591 1.556 . . . . 0.0 113.965 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.44 -34.31 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.305 -1.497 . . . . 0.0 112.592 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.0 m -64.78 -35.46 81.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.672 0.789 . . . . 0.0 111.889 168.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.39 -38.93 91.47 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.145 0.884 . . . . 0.0 111.448 172.563 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mm -64.81 -43.54 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.552 1.524 . . . . 0.0 111.131 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -62.26 -45.78 91.76 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 118.534 0.606 . . . . 0.0 111.952 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.0 51.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.669 0.788 . . . . 0.0 111.424 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.25 -47.43 79.64 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 117.417 -1.278 . . . . 0.0 111.92 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -60.42 -30.57 69.7 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 122.134 2.243 . . . . 0.0 112.573 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -50.88 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.09 -1.006 . . . . 0.0 112.353 167.532 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.43 -33.37 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.11 1.323 . . . . 0.0 112.45 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -52.8 -39.42 62.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.627 1.571 . . . . 0.0 111.539 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 m -83.41 -44.96 14.22 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.211 1.004 . . . . 0.0 112.834 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.21 -14.61 61.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.407 1.083 . . . . 0.0 113.541 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -66.57 -27.03 67.41 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.72 1.208 . . . . 0.0 112.678 168.103 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -34.82 33.65 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.486 1.114 . . . . 0.0 112.205 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t 57.07 37.22 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 125.918 1.687 . . . . 0.0 112.645 -177.178 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m -140.35 94.31 2.73 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.79 -1.194 . . . . 0.0 111.181 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m 65.28 -54.86 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.777 2.831 . . . . 0.0 114.354 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.5 p -70.35 98.72 1.45 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.068 2.147 . . . . 0.0 110.339 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.46 -83.9 0.15 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 125.353 1.454 . . . . 0.0 110.082 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t 45.16 29.56 0.53 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.536 1.935 . . . . 0.0 114.909 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.4 t30 49.65 114.59 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.631 2.372 . . . . 0.0 114.302 -155.65 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.06 78.6 0.31 Allowed Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 125.672 1.589 . . . . 0.0 112.363 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.92 178.27 4.21 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.627 2.884 . . . . 0.0 112.805 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -37.01 11.07 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.611 -0.68 . . . . 0.0 112.16 168.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -68.09 -26.8 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.289 1.035 . . . . 0.0 113.082 -178.61 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.24 -45.99 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.434 1.015 . . . . 0.0 110.386 167.077 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -40.73 97.34 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.847 0.459 . . . . 0.0 111.501 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -57.74 -57.21 13.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.436 1.495 . . . . 0.0 109.975 168.71 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.4 -39.27 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.123 1.369 . . . . 0.0 113.91 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -39.22 85.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.015 1.28 . . . . 0.0 111.955 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.3 m -82.69 -40.38 20.71 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.285 1.034 . . . . 0.0 112.026 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -29.57 68.96 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.847 -1.158 . . . . 0.0 113.538 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.88 -41.84 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.482 1.492 . . . . 0.0 110.997 168.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.96 85.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.378 0.535 . . . . 0.0 111.566 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.71 -33.84 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.11 -0.994 . . . . 0.0 111.7 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.89 -53.12 55.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.281 1.4 . . . . 0.0 111.457 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -65.5 -39.14 91.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.695 0.68 . . . . 0.0 112.055 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -66.14 -37.91 86.84 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.873 171.496 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m -60.6 -41.99 95.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.346 1.884 . . . . 0.0 111.9 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.2 m -61.55 -48.29 81.66 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.608 0.64 . . . . 0.0 111.88 172.244 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.3 m -63.76 -33.04 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -74.83 -26.13 59.49 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.65 1.18 . . . . 0.0 111.24 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.16 60.23 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.415 -1.428 . . . . 0.0 113.503 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.17 -45.2 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.414 1.006 . . . . 0.0 110.627 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.0 m -150.02 87.77 1.49 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.389 1.476 . . . . 0.0 111.604 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 164.27 -41.1 0.31 Allowed Glycine 0 CA--C 1.538 1.526 0 N-CA-C 115.565 0.986 . . . . 0.0 115.565 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 53.77 97.93 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 128.081 2.552 . . . . 0.0 115.689 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.5 p -119.15 -34.15 3.95 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -173.256 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 88.57 90.36 1.13 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.478 1.037 . . . . 0.0 112.986 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.55 -57.91 16.58 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.445 1.021 . . . . 0.0 115.148 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.74 62.4 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.783 2.833 . . . . 0.0 111.624 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.31 27.89 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 125.44 1.496 . . . . 0.0 114.852 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.23 -15.46 61.93 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.532 1.533 . . . . 0.0 115.067 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 44.02 50.1 7.3 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.597 1.559 . . . . 0.0 114.122 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.261 25.2 pt20 46.22 46.78 13.39 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.581 1.952 . . . . 0.0 114.575 -173.703 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t 70.32 47.49 0.53 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.194 1.798 . . . . 0.0 112.175 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 46.03 51.79 10.58 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.135 2.174 . . . . 0.0 113.984 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.47 41.36 2.21 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.584 1.554 . . . . 0.0 112.843 -174.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -98.23 102.13 13.78 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.759 1.224 . . . . 0.0 111.734 174.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -164.75 128.16 2.4 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.325 1.45 . . . . 0.0 110.167 162.848 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -160.29 -52.17 0.05 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.738 0.699 . . . . 0.0 112.123 170.316 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 m -152.48 136.03 16.05 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.909 2.084 . . . . 0.0 109.907 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.755 1.622 . . . . 0.0 112.36 -178.249 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -56.38 -25.64 50.36 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 118.784 1.292 . . . . 0.0 114.043 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -55.07 -21.3 12.08 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 171.365 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -59.5 -26.32 65.19 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -99.12 -33.75 10.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 111.014 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 91' ' ' LEU . 59.3 m-20 -57.63 -41.23 80.92 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.817 177.793 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.01 -30.12 58.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.919 1.236 . . . . 0.0 114.145 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.1 -33.89 24.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.738 0.815 . . . . 0.0 111.146 -177.66 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.5 -38.34 80.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.438 1.095 . . . . 0.0 111.23 166.439 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.596 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -60.99 -41.15 95.91 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 123.666 0.787 . . . . 0.0 110.667 172.106 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 1.76 0.4 Allowed 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -108.44 -46.86 3.61 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.464 1.484 . . . . 0.0 111.963 168.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 10' ' ' LEU . 11.7 m -68.54 -37.95 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.309 -0.869 . . . . 0.0 111.953 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.42 -47.86 87.65 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.03 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.14 -47.44 68.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.619 1.554 . . . . 0.0 111.451 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 t -57.05 -40.99 77.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.655 0.782 . . . . 0.0 112.652 172.186 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.24 -53.29 12.97 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.946 1.298 . . . . 0.0 113.885 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.75 -24.69 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.658 1.583 . . . . 0.0 112.761 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.0 m -99.94 -5.8 27.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.786 1.234 . . . . 0.0 111.951 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -26.02 59.88 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.5 -1.375 . . . . 0.0 113.233 171.725 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -94.87 19.83 9.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.394 2.278 . . . . 0.0 112.757 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.277 4.0 p 66.5 8.88 6.1 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 128.781 2.832 . . . . 0.0 116.02 173.52 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -79.36 95.82 5.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 112.292 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -57.35 -32.29 66.6 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 120.873 -1.142 . . . . 0.0 112.745 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -69.41 -20.08 63.8 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.937 -1.102 . . . . 0.0 113.384 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -23.76 66.69 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 119.76 -1.837 . . . . 0.0 112.999 172.425 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.69 71.66 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.902 0.773 . . . . 0.0 112.831 167.238 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -31.16 71.53 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 112.036 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -30.18 66.72 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 117.942 -1.028 . . . . 0.0 113.041 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.52 -26.76 22.32 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 120.049 1.295 . . . . 0.0 113.864 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -28.97 70.23 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 171.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.73 -28.99 67.32 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.279 1.032 . . . . 0.0 111.859 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -35.15 74.68 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.953 -1.092 . . . . 0.0 110.484 168.562 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -66.24 -13.5 60.46 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.364 -1.46 . . . . 0.0 114.394 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.39 -29.45 63.76 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.538 -1.351 . . . . 0.0 111.935 168.746 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.74 98.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.637 -0.664 . . . . 0.0 110.3 170.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.9 -31.74 65.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.136 1.375 . . . . 0.0 112.845 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.96 82.67 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.68 0.673 . . . . 0.0 112.723 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -72.08 -41.53 67.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.378 0.671 . . . . 0.0 111.35 169.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -57.68 -36.31 71.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.738 0.815 . . . . 0.0 113.164 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -44.05 50.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.034 1.334 . . . . 0.0 112.179 171.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.21 -34.04 29.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.657 0.783 . . . . 0.0 112.484 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.39 -27.65 69.45 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.2 -0.938 . . . . 0.0 112.991 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -67.87 -31.64 71.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 112.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.0 tp -65.41 -42.47 92.49 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.954 0.902 . . . . 0.0 111.271 170.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.6 mt -75.98 168.81 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 C-N-CA 126.403 1.881 . . . . 0.0 109.133 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.0 m -64.24 117.32 7.02 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 119.989 -1.695 . . . . 0.0 111.055 167.405 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.15 9.25 0.6 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 174.378 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 t 57.93 54.57 5.97 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.518 -1.363 . . . . 0.0 112.901 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t 66.73 28.4 9.02 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.861 1.664 . . . . 0.0 114.168 -177.088 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.26 28.54 17.11 Favored Glycine 0 CA--C 1.533 1.2 0 O-C-N 121.223 -0.923 . . . . 0.0 114.582 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 m -104.76 77.82 1.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 127.147 2.179 . . . . 0.0 108.883 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -47.17 -49.71 21.99 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.372 1.069 . . . . 0.0 111.666 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 57' ' ' GLN . 0.0 OUTLIER 165.34 69.0 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.68 1.992 . . . . 0.0 113.586 -174.317 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -49.1 -36.97 20.15 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.698 -1.876 . . . . 0.0 113.601 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.5 m -64.22 -42.9 96.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.474 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -68.58 -42.64 77.97 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.926 1.239 . . . . 0.0 111.412 175.094 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.84 -49.97 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.242 1.383 . . . . 0.0 110.477 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -66.84 -41.39 87.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.428 0.558 . . . . 0.0 112.479 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.17 -52.88 56.86 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 123.75 0.82 . . . . 0.0 111.947 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.96 -42.96 99.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.52 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.0 m -54.0 -46.7 71.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 119.885 1.221 . . . . 0.0 112.538 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.49 -38.53 90.03 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.733 0.697 . . . . 0.0 112.165 173.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.97 -29.42 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.155 1.382 . . . . 0.0 112.105 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.46 -39.94 89.39 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.364 1.438 . . . . 0.0 111.151 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -46.66 51.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.68 1.992 . . . . 0.0 111.38 173.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.96 -14.75 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 114.391 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.0 t -74.39 -29.05 61.38 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.204 1.002 . . . . 0.0 112.65 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.83 -36.53 4.8 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 t 53.89 55.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.06 1.344 . . . . 0.0 112.07 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -112.05 -82.89 0.59 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.176 1.39 . . . . 0.0 112.216 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 m -107.25 24.09 13.4 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.042 2.137 . . . . 0.0 109.834 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 154.4 38.23 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.59 2.356 . . . . 0.0 110.388 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.19 87.4 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.27 1.414 . . . . 0.0 115.369 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.0 p 46.64 32.29 1.64 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.272 2.229 . . . . 0.0 116.346 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -162.58 -46.02 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.373 1.469 . . . . 0.0 110.934 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -154.09 73.67 6.29 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.332 1.853 . . . . 0.0 108.631 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.95 177.51 4.24 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.331 2.02 . . . . 0.0 110.827 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.75 -26.64 4.03 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -75.15 -38.86 60.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.146 0.978 . . . . 0.0 111.762 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -69.76 -47.23 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.703 1.138 . . . . 0.0 110.84 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -40.33 93.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.558 0.617 . . . . 0.0 112.331 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.07 -44.55 97.21 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 116.59 -1.672 . . . . 0.0 110.81 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.0 t -51.49 -35.68 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 121.323 1.874 . . . . 0.0 113.312 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.46 -46.02 88.14 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.94 2.155 . . . . 0.0 112.998 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.7 m -73.84 -44.7 54.81 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.355 -0.841 . . . . 0.0 111.98 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.452 HD13 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -60.39 -46.45 89.94 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-O 116.412 -1.756 . . . . 0.0 110.016 176.606 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mm -59.55 -39.0 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 121.141 1.791 . . . . 0.0 110.339 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.31 88.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.965 1.257 . . . . 0.0 113.073 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.6 t -77.41 -37.85 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 112.425 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 6' ' ' ASP . 0.6 OUTLIER -69.28 -45.26 70.07 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 128.072 2.549 . . . . 0.0 111.3 178.371 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.5 p -63.95 -46.91 82.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.848 0.749 . . . . 0.0 110.567 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -68.81 -27.82 66.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.522 -1.227 . . . . 0.0 112.813 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m -68.86 -47.77 65.11 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 121.421 1.919 . . . . 0.0 111.193 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -65.01 -41.29 95.46 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.871 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.1 m -70.07 -32.54 70.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.979 1.263 . . . . 0.0 114.242 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -70.34 -19.99 63.02 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.667 1.187 . . . . 0.0 112.387 168.436 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.69 -24.74 19.4 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.067 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.3 mt -53.95 -42.3 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.645 1.178 . . . . 0.0 111.371 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 t -157.98 59.91 0.47 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.932 0.872 . . . . 0.0 112.653 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.07 -75.11 0.01 OUTLIER Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.193 0.901 . . . . 0.0 112.307 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -158.33 121.81 3.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.248 1.019 . . . . 0.0 112.517 172.629 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.8 p -76.77 79.92 3.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.626 1.97 . . . . 0.0 112.066 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.08 90.06 0.56 Allowed Glycine 0 N--CA 1.476 1.31 0 C-N-CA 125.042 1.306 . . . . 0.0 113.381 -175.277 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.08 -37.31 72.97 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.09 0.852 . . . . 0.0 115.058 -177.297 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.5 m -134.56 69.36 1.46 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.095 1.358 . . . . 0.0 111.281 -174.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -131.19 18.82 4.92 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.209 1.404 . . . . 0.0 113.88 -172.187 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -78.8 -13.57 59.73 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 49.77 33.35 6.18 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.649 1.579 . . . . 0.0 114.374 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.09 -65.71 0.27 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.777 0.831 . . . . 0.0 112.154 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.18 43.22 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.463 1.105 . . . . 0.0 113.26 174.466 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 48.62 60.56 3.59 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.038 1.335 . . . . 0.0 113.1 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 73.28 60.99 0.1 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.151 2.18 . . . . 0.0 112.54 -172.073 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.62 125.36 20.78 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.425 0.69 . . . . 0.0 111.535 174.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -151.43 100.22 2.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.814 0.846 . . . . 0.0 110.812 -177.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -155.45 120.02 4.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.857 1.263 . . . . 0.0 110.01 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.3 m 52.55 -66.77 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 128.612 2.765 . . . . 0.0 116.788 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.871 2.068 . . . . 0.0 111.539 -178.837 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 CA-C-O 119.354 -0.692 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -150.8 172.23 15.95 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.508 2.323 . . . . 0.0 108.112 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.261 10.5 pt-20 49.76 10.71 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -176.743 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -150.95 -39.42 0.13 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.728 2.011 . . . . 0.0 112.555 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.55 -33.45 75.08 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.197 -0.94 . . . . 0.0 110.659 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ASP . . . . . 0.569 ' HB2' HD11 ' A' ' 91' ' ' LEU . 6.1 p30 -55.47 -47.97 75.26 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.055 -1.45 . . . . 0.0 112.892 172.059 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -29.1 13.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.521 1.51 . . . . 0.0 113.285 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -67.47 -56.12 10.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.613 1.165 . . . . 0.0 112.376 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -72.63 -39.76 66.97 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.175 -0.953 . . . . 0.0 112.009 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 87' ' ' LEU . 2.4 tp -55.27 -47.84 74.92 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 126.617 1.967 . . . . 0.0 110.37 172.703 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.16 82.98 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.078 -0.963 . . . . 0.0 111.773 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.85 -46.24 91.36 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.122 1.783 . . . . 0.0 112.431 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.595 HG21 HD13 ' A' ' 87' ' ' LEU . 20.0 m -75.1 -30.84 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.34 -52.77 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.441 1.096 . . . . 0.0 109.886 167.818 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 30' ' ' ALA . 3.7 mp -55.62 -47.16 77.01 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.601 1.561 . . . . 0.0 110.831 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.9 m -57.63 -33.57 68.41 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.01 -40.68 18.12 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.479 1.036 . . . . 0.0 113.698 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -68.87 -31.92 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.233 -0.917 . . . . 0.0 112.117 173.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -4.24 51.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.65 1.18 . . . . 0.0 113.221 175.715 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -24.82 65.0 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.786 -1.196 . . . . 0.0 112.593 171.786 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -89.5 24.89 2.12 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.304 1.842 . . . . 0.0 112.287 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.5 p 59.16 19.11 7.09 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 128.825 2.85 . . . . 0.0 116.081 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.19 -43.36 78.26 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -166.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.8 -44.83 0.06 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.437 2.695 . . . . 0.0 116.812 -170.24 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.2 m -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.64 -1.288 . . . . 0.0 113.648 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -57.72 -17.26 14.22 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 172.428 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.6 m -63.74 -18.66 64.27 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.823 1.192 . . . . 0.0 113.712 165.112 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.65 67.63 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.717 -1.239 . . . . 0.0 112.334 168.683 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -22.32 66.19 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.12 -0.987 . . . . 0.0 113.112 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -57.92 -30.27 65.78 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 170.166 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.77 -28.82 60.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.334 -0.854 . . . . 0.0 112.037 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.78 -32.92 64.02 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.232 -0.917 . . . . 0.0 112.342 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HB2' HD11 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -55.23 -44.35 75.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.355 1.462 . . . . 0.0 111.86 166.24 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -56.36 -29.8 61.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -34.26 77.59 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.483 -1.386 . . . . 0.0 113.268 173.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.77 47.76 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.22 0.918 . . . . 0.0 109.799 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.39 -32.44 73.26 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.747 1.219 . . . . 0.0 113.178 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.42 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.444 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -60.3 -39.65 87.72 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.505 -0.747 . . . . 0.0 111.172 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -55.03 -34.46 63.52 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.496 1.118 . . . . 0.0 113.651 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -39.08 88.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.095 0.958 . . . . 0.0 111.584 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.03 -34.72 29.39 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.01 0.924 . . . . 0.0 112.339 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.02 70.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.293 1.037 . . . . 0.0 112.604 174.587 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.85 -28.16 69.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.398 1.479 . . . . 0.0 112.719 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.54 -43.96 75.59 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.355 -0.841 . . . . 0.0 112.25 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.1 pt -75.25 166.6 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.828 0.851 . . . . 0.0 111.561 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 t -68.86 -14.37 62.99 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.81 30.56 0.16 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.62 1.968 . . . . 0.0 114.81 -170.261 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.2 p -135.32 39.55 2.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.154 1.782 . . . . 0.0 113.752 -162.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.9 t -130.82 -34.95 1.47 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 -39.77 95.29 Favored Glycine 0 CA--C 1.538 1.482 0 O-C-N 121.256 -0.902 . . . . 0.0 113.398 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -141.45 -90.21 0.15 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.525 1.53 . . . . 0.0 109.265 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.4 p 168.21 -59.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.719 2.408 . . . . 0.0 110.047 -177.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -155.58 7.6 0.24 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.574 1.949 . . . . 0.0 113.631 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -56.95 -32.24 65.81 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.488 -1.382 . . . . 0.0 113.516 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.1 m -56.15 -49.91 72.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.914 0.886 . . . . 0.0 111.737 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.34 -27.15 52.66 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.01 -1.472 . . . . 0.0 112.691 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -37.91 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 121.411 1.914 . . . . 0.0 112.278 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 m -67.09 -46.15 75.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.921 0.888 . . . . 0.0 111.983 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.04 64.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.253 0.621 . . . . 0.0 111.327 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.7 tm? -52.8 -49.34 65.81 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.597 1.959 . . . . 0.0 111.564 175.259 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -51.05 -51.07 56.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.45 1.1 . . . . 0.0 110.983 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.17 -37.42 87.31 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.988 -0.445 . . . . 0.0 111.533 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.12 -33.98 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.089 1.756 . . . . 0.0 113.31 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.37 -48.56 81.16 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.2 1.363 . . . . 0.0 110.152 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 m -64.12 -56.36 15.4 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.586 1.155 . . . . 0.0 111.699 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.79 -7.96 9.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.541 1.537 . . . . 0.0 114.953 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -47.25 -36.4 8.96 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 112.536 160.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -49.21 7.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.412 1.085 . . . . 0.0 113.221 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.295 2.4 t 47.7 60.95 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 CA-C-O 123.164 1.459 . . . . 0.0 111.862 -175.111 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.7 t -157.08 -44.99 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.457 -1.402 . . . . 0.0 114.474 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -143.57 -39.23 0.31 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.404 1.082 . . . . 0.0 111.628 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -83.3 76.76 9.87 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.429 1.892 . . . . 0.0 110.545 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.01 -66.09 0.16 Allowed Glycine 0 CA--C 1.528 0.864 0 O-C-N 120.864 -1.148 . . . . 0.0 112.638 174.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t 48.2 27.28 1.25 Allowed 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 m120 50.86 110.85 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.126 2.17 . . . . 0.0 113.695 -157.34 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 55.85 75.46 0.59 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 125.41 1.484 . . . . 0.0 112.438 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.36 175.17 8.11 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.226 2.617 . . . . 0.0 111.825 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.79 -34.96 20.97 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.704 0.802 . . . . 0.0 112.963 174.393 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.75 -41.44 91.0 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.58 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.223 1.374 . . . . 0.0 111.351 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -73.23 -37.75 66.27 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.807 -0.558 . . . . 0.0 111.205 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -58.6 -45.17 89.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.063 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.08 -33.76 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 121.194 1.815 . . . . 0.0 113.168 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.54 76.92 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.967 1.258 . . . . 0.0 112.168 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.8 m -80.06 -51.94 8.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.151 0.98 . . . . 0.0 111.492 170.411 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -61.48 -39.04 89.48 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 117.591 -1.195 . . . . 0.0 112.225 -173.343 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.4 mm -58.59 -39.61 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 120.142 1.337 . . . . 0.0 109.863 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.8 70.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.619 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.44 -39.69 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.321 0.964 . . . . 0.0 111.511 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 6' ' ' ASP . 1.2 tm? -64.77 -48.94 72.67 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.033 2.533 . . . . 0.0 112.26 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 m -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.412 0.551 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.98 -29.97 70.45 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.642 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 m -67.85 -43.25 79.93 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 121.754 2.07 . . . . 0.0 111.609 174.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -61.31 -49.8 75.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.761 0.424 . . . . 0.0 111.113 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.4 m -63.62 -37.53 87.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.95 -28.98 68.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.059 1.344 . . . . 0.0 112.17 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.45 -16.62 36.58 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 174.104 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.99 -47.85 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.783 1.174 . . . . 0.0 111.193 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.3 p -162.72 21.01 0.09 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.72 -41.37 2.37 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.192 1.377 . . . . 0.0 112.53 -174.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 37.73 37.81 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.583 2.353 . . . . 0.0 116.106 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.2 m -133.64 118.06 17.75 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.654 1.982 . . . . 0.0 108.266 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.61 -31.44 80.77 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 123.824 0.726 . . . . 0.0 113.858 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.88 9.62 85.11 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.786 1.184 . . . . 0.0 115.221 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.2 p -147.19 12.27 1.06 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.343 1.457 . . . . 0.0 114.208 -171.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.75 6.01 4.38 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -73.95 -13.5 60.89 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.601 1.56 . . . . 0.0 114.605 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.84 40.93 7.12 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.182 1.793 . . . . 0.0 114.723 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 46.47 73.01 0.19 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.503 1.921 . . . . 0.0 111.943 -168.32 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 93.3 p 43.52 37.21 1.38 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.691 1.996 . . . . 0.0 114.676 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 48.62 50.91 16.42 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.321 1.849 . . . . 0.0 113.446 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.34 -61.38 1.54 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.641 1.176 . . . . 0.0 112.969 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 40.41 52.67 2.95 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.07 2.148 . . . . 0.0 115.787 173.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.2 178.72 8.02 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.688 1.195 . . . . 0.0 111.97 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -137.33 113.32 9.77 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.221 1.008 . . . . 0.0 110.751 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.5 p -154.6 -35.63 0.1 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.251 1.42 . . . . 0.0 113.947 -171.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 128.023 2.529 . . . . 0.0 114.499 -179.48 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 CA-C-O 119.238 -0.757 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m 66.51 2.37 2.46 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 126.699 1.999 . . . . 0.0 115.989 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -164.38 -43.32 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.144 2.578 . . . . 0.0 109.445 161.651 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLN . . . . . 0.453 ' HA ' HD23 ' A' ' 7' ' ' LEU . 19.3 pt20 -81.5 -11.6 59.14 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -108.59 8.21 27.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.528 1.531 . . . . 0.0 111.257 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -144.31 43.57 1.41 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.869 3.268 . . . . 0.0 107.78 -171.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.58 HD22 HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -128.94 -36.24 1.8 Allowed 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 127.047 2.139 . . . . 0.0 109.894 167.963 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -83.94 -55.14 4.39 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.9 0.773 . . . . 0.0 110.483 -174.714 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.31 -38.82 88.62 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.838 0.855 . . . . 0.0 111.756 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -40.31 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.212 0.605 . . . . 0.0 111.525 175.814 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.66 88.14 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.888 168.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -60.69 -42.57 97.42 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.89 2.132 . . . . 0.0 112.501 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.649 HG21 HD13 ' A' ' 87' ' ' LEU . 3.0 m -77.81 -32.46 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.648 1.113 . . . . 0.0 113.409 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.64 -40.77 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.334 1.425 . . . . 0.0 110.102 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -46.61 83.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.009 1.277 . . . . 0.0 110.259 170.233 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -57.22 -47.83 80.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.381 0.672 . . . . 0.0 112.27 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.89 68.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.711 1.204 . . . . 0.0 112.721 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -72.18 -23.35 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.731 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.18 -7.32 36.06 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.496 1.043 . . . . 0.0 112.9 174.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -14.15 30.69 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.138 1.375 . . . . 0.0 113.5 169.778 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.569 ' HB3' HG22 ' A' ' 73' ' ' THR . 8.6 m-80 -110.37 22.44 15.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.722 1.609 . . . . 0.0 111.896 171.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.9 p 56.48 19.4 4.1 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.96 2.904 . . . . 0.0 116.491 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.67 -38.75 75.64 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.88 -50.25 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.856 2.462 . . . . 0.0 115.109 -166.657 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 m -63.53 -28.34 69.88 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.194 1.397 . . . . 0.0 113.24 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -16.45 64.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.261 1.024 . . . . 0.0 113.344 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -61.7 -41.25 97.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.039 1.335 . . . . 0.0 112.628 165.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.42 74.5 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.297 -0.877 . . . . 0.0 111.079 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -40.19 75.37 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 118.524 0.602 . . . . 0.0 111.896 175.274 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.87 11.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -25.73 66.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.758 1.617 . . . . 0.0 112.669 167.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.31 69.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.447 -0.783 . . . . 0.0 112.416 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -37.32 72.44 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.46 1.027 . . . . 0.0 110.743 170.052 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -66.84 -19.92 65.83 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -29.51 70.39 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.631 -1.293 . . . . 0.0 111.74 169.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.28 82.21 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.304 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' LEU . . . . . 0.58 HD22 HD22 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -56.99 -45.64 82.83 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.922 1.237 . . . . 0.0 110.383 174.434 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.04 83.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.973 0.909 . . . . 0.0 111.994 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -65.46 -45.91 81.89 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.424 0.69 . . . . 0.0 112.078 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -61.55 -32.5 72.58 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.289 1.436 . . . . 0.0 113.433 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.27 73.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.045 0.938 . . . . 0.0 111.307 169.117 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.62 -26.61 41.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.913 0.885 . . . . 0.0 113.02 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -28.83 63.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.094 0.958 . . . . 0.0 112.566 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.19 -27.12 68.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.171 1.789 . . . . 0.0 113.158 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.5 -34.02 68.64 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.265 1.426 . . . . 0.0 112.637 169.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.6 mt -99.98 168.63 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 127.735 2.414 . . . . 0.0 107.96 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.8 m -63.76 -72.55 0.14 Allowed 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.111 -1.618 . . . . 0.0 111.918 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 47.63 11.28 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.188 2.195 . . . . 0.0 116.624 -174.854 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.8 m -64.95 -52.08 58.29 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.536 -1.353 . . . . 0.0 113.151 -169.65 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 t -79.09 -16.73 56.33 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.625 0.77 . . . . 0.0 112.4 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.32 -23.32 78.2 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.699 1.143 . . . . 0.0 113.89 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.6 p 43.24 32.77 0.5 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.821 2.448 . . . . 0.0 115.285 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.0 t -55.11 -35.61 64.83 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.615 1.166 . . . . 0.0 113.538 -171.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -53.99 -48.84 69.97 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.479 0.712 . . . . 0.0 112.661 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.26 -45.85 79.1 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.614 -0.678 . . . . 0.0 110.924 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.3 m -59.06 -38.34 79.15 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.84 0.856 . . . . 0.0 112.244 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -77.35 -38.32 50.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.32 1.048 . . . . 0.0 112.155 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.14 -39.99 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.212 1.369 . . . . 0.0 111.198 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.7 m -61.1 -52.79 63.41 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.443 1.019 . . . . 0.0 112.089 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.06 75.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.59 0.756 . . . . 0.0 111.247 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.62 -49.8 61.24 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 117.037 -1.458 . . . . 0.0 111.813 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 t -59.75 -32.83 70.93 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.0 1.727 . . . . 0.0 112.571 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -78.7 -31.37 46.53 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.029 -1.044 . . . . 0.0 113.22 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.98 -30.48 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.453 -1.404 . . . . 0.0 111.652 168.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.7 -44.11 97.56 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.826 1.194 . . . . 0.0 109.787 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -49.4 76.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.829 1.652 . . . . 0.0 112.576 170.833 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.41 -5.88 45.01 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.47 -28.31 59.19 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.647 -1.283 . . . . 0.0 111.534 167.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -98.19 -46.14 5.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.751 0.821 . . . . 0.0 112.204 -177.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.263 85.3 t 54.29 54.08 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 123.132 1.444 . . . . 0.0 112.274 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 72' ' ' THR . 8.5 m -139.29 -145.98 0.2 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.448 1.899 . . . . 0.0 107.91 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' THR . . . . . 0.564 ' H ' HG22 ' A' ' 71' ' ' THR . 62.0 m -52.76 -29.76 29.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.313 1.845 . . . . 0.0 113.702 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' THR . . . . . 0.569 HG22 ' HB3' ' A' ' 21' ' ' ASN . 27.2 p -95.45 43.79 1.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.121 0.968 . . . . 0.0 111.534 -155.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.35 -62.64 0.04 OUTLIER Glycine 0 CA--C 1.532 1.123 0 C-N-CA 126.025 1.774 . . . . 0.0 113.058 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t 45.82 28.88 0.63 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.457 1.903 . . . . 0.0 115.686 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 60.71 110.68 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.921 2.488 . . . . 0.0 113.389 -170.532 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 58.71 79.96 0.29 Allowed Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.956 1.302 . . . . 0.0 111.13 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.84 169.5 18.86 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.624 2.216 . . . . 0.0 112.087 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.62 -27.91 7.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.852 165.625 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -40.1 88.04 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.943 1.247 . . . . 0.0 111.888 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -40.61 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.721 0.691 . . . . 0.0 111.44 177.82 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 t -68.34 -41.71 80.36 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.05 0.54 . . . . 0.0 110.99 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -60.95 -42.73 98.81 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 115.968 -1.968 . . . . 0.0 111.379 167.277 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' HA ' HD23 ' A' ' 87' ' ' LEU . 1.2 t -48.45 -43.09 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 121.369 1.895 . . . . 0.0 112.903 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.39 98.93 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.129 0.877 . . . . 0.0 112.764 177.713 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -72.96 -39.36 66.22 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.557 1.543 . . . . 0.0 112.464 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 13' ' ' VAL . 1.7 tp -52.81 -49.43 65.66 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 127.28 2.232 . . . . 0.0 110.426 170.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.69 -38.49 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 119.209 0.913 . . . . 0.0 110.853 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.4 69.11 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.757 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.24 -37.36 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 111.923 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 91' ' ' LEU . 1.2 tm? -63.32 -48.81 76.46 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.73 2.012 . . . . 0.0 111.111 174.368 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -59.4 -39.74 84.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.459 0.572 . . . . 0.0 111.264 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -68.87 -34.45 75.47 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.84 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -63.03 -44.82 94.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.22 1.827 . . . . 0.0 111.92 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -61.41 -48.83 79.42 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.569 0.622 . . . . 0.0 111.383 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.6 m -67.64 -28.61 67.86 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -70.32 -38.71 74.99 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.586 1.154 . . . . 0.0 111.518 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.34 -22.56 61.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -47.69 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.361 0.982 . . . . 0.0 110.782 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.77 -36.9 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.861 1.265 . . . . 0.0 114.141 170.647 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.11 70.23 0.34 Allowed Glycine 0 N--CA 1.476 1.32 0 CA-C-N 119.16 0.891 . . . . 0.0 113.747 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -141.02 37.18 1.75 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.455 1.102 . . . . 0.0 113.35 -171.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.1 t -147.7 -48.25 0.17 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.571 1.322 . . . . 0.0 114.571 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.25 -163.76 28.07 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.372 0.987 . . . . 0.0 112.551 -173.162 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.98 -81.92 0.08 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.305 0.955 . . . . 0.0 112.556 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 m -152.35 53.6 0.79 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.006 1.322 . . . . 0.0 112.423 -175.509 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.47 47.07 0.07 Allowed 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 125.854 1.662 . . . . 0.0 114.678 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -94.89 -7.0 41.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.526 1.93 . . . . 0.0 114.0 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 50.06 31.77 5.2 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.112 1.765 . . . . 0.0 114.96 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -148.38 -49.24 0.16 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.535 1.534 . . . . 0.0 111.598 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.43 16.14 12.47 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.463 1.505 . . . . 0.0 114.047 -173.698 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.79 14.55 4.37 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.868 1.667 . . . . 0.0 112.946 -173.393 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -147.51 -46.78 0.17 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.785 1.234 . . . . 0.0 113.453 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 58.09 174.82 0.06 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.13 1.772 . . . . 0.0 114.47 -173.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 52.99 -179.15 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.945 1.698 . . . . 0.0 115.015 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -66.62 166.45 12.82 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.991 -1.068 . . . . 0.0 112.659 165.659 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.9 p -152.03 158.77 43.51 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.332 1.453 . . . . 0.0 111.207 167.196 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.386 1.474 . . . . 0.0 111.32 -177.095 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.338 1.0 OUTLIER . . . . . 0 N--CA 1.48 1.069 0 N-CA-C 116.484 2.031 . . . . 0.0 116.484 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -136.61 -46.99 0.61 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.49 1.516 . . . . 0.0 112.108 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.0 tp60 -68.8 -32.79 72.76 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.353 -0.842 . . . . 0.0 110.574 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -58.56 -25.33 62.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.599 1.159 . . . . 0.0 112.437 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.95 -38.0 46.26 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.465 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -35.67 79.06 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.155 0.582 . . . . 0.0 111.568 168.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -65.21 -39.9 93.41 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.587 -0.696 . . . . 0.0 111.48 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -60.13 -38.55 83.41 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.037 176.115 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.98 75.1 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.082 0.856 . . . . 0.0 111.484 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -34.65 78.13 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.93 . . . . 0.0 113.363 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -80.89 -33.63 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.708 0.803 . . . . 0.0 112.693 -176.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.5 mt -69.78 -37.34 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.432 -0.792 . . . . 0.0 109.381 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -40.65 72.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.882 1.219 . . . . 0.0 112.048 169.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -60.37 -21.91 62.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 170.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.34 -54.51 4.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.248 1.019 . . . . 0.0 111.857 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -67.93 -38.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.025 -1.047 . . . . 0.0 113.361 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -78.75 -6.63 56.4 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.198 0.999 . . . . 0.0 112.098 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -62.47 -23.66 67.02 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.392 -1.443 . . . . 0.0 112.99 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.47 7.21 14.93 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.826 1.25 . . . . 0.0 113.431 170.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.327 10.1 p 68.85 16.07 8.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 129.908 3.283 . . . . 0.0 115.236 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -71.11 107.5 4.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.465 1.506 . . . . 0.0 112.999 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -67.35 -39.99 85.79 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.416 -1.427 . . . . 0.0 111.889 170.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.5 m -62.74 -22.74 66.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.64 -21.91 63.25 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.342 1.057 . . . . 0.0 113.311 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -68.08 -22.89 64.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.385 -0.822 . . . . 0.0 113.062 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.86 73.36 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.637 -1.289 . . . . 0.0 111.957 167.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 65' ' ' LEU . 59.9 mmt-85 -66.93 -18.33 65.33 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 173.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.5 -40.2 62.13 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.525 1.057 . . . . 0.0 112.402 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -68.31 -29.02 67.68 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.357 1.063 . . . . 0.0 112.768 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.4 -39.98 37.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.853 0.861 . . . . 0.0 111.899 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.29 -37.16 64.45 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.757 1.223 . . . . 0.0 111.59 169.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 m -57.04 -23.12 44.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -27.49 62.73 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.643 -1.286 . . . . 0.0 112.864 172.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.89 86.13 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.957 -1.089 . . . . 0.0 111.437 169.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -43.91 72.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.727 1.211 . . . . 0.0 111.562 173.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.34 72.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -39.4 61.38 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.716 0.807 . . . . 0.0 112.519 175.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.8 m -60.34 -39.63 87.8 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.89 -1.131 . . . . 0.0 112.522 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.94 -50.12 74.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.588 1.555 . . . . 0.0 111.33 167.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.12 69.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -22.89 67.09 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -33.56 74.18 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.9 1.227 . . . . 0.0 112.161 171.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp . . . . . 0 CA--C 1.545 0.768 0 C-N-CA 124.659 1.184 . . . . 0.0 112.915 177.391 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.476 0.829 0 N-CA-C 112.422 0.527 . . . . 0.0 112.422 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -52.19 -40.57 61.69 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.474 -1.392 . . . . 0.0 113.534 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -63.46 -47.29 82.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.193 0.906 . . . . 0.0 112.215 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -44.66 77.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.826 0.85 . . . . 0.0 111.282 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -62.14 -45.6 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.862 0.865 . . . . 0.0 111.417 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -62.3 -48.13 81.24 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.917 0.887 . . . . 0.0 112.496 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -50.68 72.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.66 -0.65 . . . . 0.0 111.798 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.66 -41.36 96.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.672 -1.156 . . . . 0.0 111.478 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.9 m -51.8 -41.07 61.42 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.581 1.152 . . . . 0.0 111.311 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -74.49 -32.36 62.51 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.361 1.064 . . . . 0.0 113.234 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.02 -33.54 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 120.234 -1.541 . . . . 0.0 111.674 168.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 29' ' ' ARG . 1.9 mt -63.72 -42.08 97.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.438 1.017 . . . . 0.0 110.451 172.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -56.24 -46.57 79.52 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.437 -0.789 . . . . 0.0 112.422 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -66.82 -3.06 5.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 t -67.25 -33.05 74.5 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.347 -1.471 . . . . 0.0 112.228 166.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -34.64 10.16 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -168.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t 41.01 69.56 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 127.041 2.136 . . . . 0.0 112.708 174.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 t -152.94 -56.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 t -151.45 9.9 0.56 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.852 1.261 . . . . 0.0 112.136 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.82 16.73 0.65 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.326 2.25 . . . . 0.0 114.978 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.92 60.64 6.26 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.422 1.011 . . . . 0.0 113.367 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 m -58.82 10.92 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -174.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -148.43 128.24 13.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.719 2.408 . . . . 0.0 108.049 166.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 34.78 63.51 1.96 Allowed Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 126.848 2.059 . . . . 0.0 114.627 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 168.53 15.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.783 2.322 . . . . 0.0 113.08 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.16 -29.96 15.31 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.805 168.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.65 -42.83 67.07 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.714 1.143 . . . . 0.0 112.819 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.1 -40.87 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.743 0.817 . . . . 0.0 110.728 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -62.5 -39.74 94.47 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.674 -0.641 . . . . 0.0 111.904 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -60.76 -49.99 75.25 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 117.414 -1.279 . . . . 0.0 111.28 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.3 m -60.73 -39.09 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 120.171 1.35 . . . . 0.0 111.929 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.67 90.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.974 1.261 . . . . 0.0 113.058 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.5 m -78.12 -46.82 19.67 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.392 0.542 . . . . 0.0 112.26 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -31.66 72.46 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.413 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.24 -35.02 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 120.737 1.608 . . . . 0.0 110.825 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.67 90.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.567 1.076 . . . . 0.0 112.267 172.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 t -68.17 -43.84 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.712 0.805 . . . . 0.0 111.548 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.99 -42.15 98.83 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.68 1.592 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.1 m -56.6 -39.71 74.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.902 1.228 . . . . 0.0 111.996 171.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -49.06 70.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.142 0.883 . . . . 0.0 111.244 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -62.37 -37.77 86.98 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.484 1.114 . . . . 0.0 113.724 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -71.04 -50.2 36.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.437 1.095 . . . . 0.0 111.038 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.1 m -61.05 -32.24 71.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.078 1.308 . . . . 0.0 112.799 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.74 -45.69 91.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.977 0.911 . . . . 0.0 111.406 168.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.89 72.82 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.4 mm -63.5 -42.8 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.325 0.966 . . . . 0.0 111.789 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.6 m . . . . . 0 N--CA 1.479 1.005 0 C-N-CA 124.494 1.117 . . . . 0.0 112.39 -178.857 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 . . . . . 0 CA--C 1.551 1.005 0 N-CA-C 113.65 0.981 . . . . 0.0 113.65 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -135.53 -54.36 0.78 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.823 1.249 . . . . 0.0 112.637 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -78.76 -39.26 36.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.783 0.833 . . . . 0.0 109.742 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.47 26.43 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 130.113 3.365 . . . . 0.0 113.261 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -52.95 0.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.631 1.972 . . . . 0.0 109.879 -174.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -75.25 -45.05 42.55 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.608 1.094 . . . . 0.0 110.966 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.59 -40.15 92.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.323 -0.86 . . . . 0.0 111.405 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HA ' HG12 ' A' ' 13' ' ' VAL . 4.6 tp -69.04 -36.58 77.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.871 -0.518 . . . . 0.0 112.129 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.47 69.85 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 0.0 110.492 171.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.23 94.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.366 0.985 . . . . 0.0 112.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 10' ' ' LEU . 1.8 p -76.54 -34.1 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.362 -0.836 . . . . 0.0 112.588 -177.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.78 -40.61 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.442 -0.786 . . . . 0.0 110.335 168.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.45 -48.06 75.07 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.483 1.038 . . . . 0.0 111.527 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -56.19 -42.69 77.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.182 0.901 . . . . 0.0 112.834 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.82 70.18 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -71.43 -42.08 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 120.863 -1.148 . . . . 0.0 111.93 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.8 p -78.75 -10.04 59.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.487 1.115 . . . . 0.0 113.98 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -15.07 7.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.94 1.296 . . . . 0.0 113.907 169.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -110.49 20.74 17.41 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.033 1.733 . . . . 0.0 112.025 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 5.1 t 55.48 45.43 25.13 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.943 2.497 . . . . 0.0 115.16 176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -121.33 86.05 2.51 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.176 1.39 . . . . 0.0 112.258 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 m -57.96 -41.23 82.42 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 120.869 -1.144 . . . . 0.0 113.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -59.67 -24.45 63.92 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.543 1.137 . . . . 0.0 113.715 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -67.31 -25.04 65.83 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.626 1.57 . . . . 0.0 112.791 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -68.67 -35.47 77.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.947 0.899 . . . . 0.0 112.245 168.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.43 73.62 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.899 -1.126 . . . . 0.0 112.057 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -63.7 -38.89 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.355 -0.84 . . . . 0.0 111.635 168.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.05 -15.43 32.36 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -65.0 -25.05 67.69 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.93 -1.106 . . . . 0.0 112.901 167.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.35 -33.03 63.01 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.984 -1.072 . . . . 0.0 112.809 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -38.23 66.23 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.795 0.838 . . . . 0.0 110.789 168.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.1 m -58.99 -26.51 64.55 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.679 -1.263 . . . . 0.0 114.297 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.08 74.98 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.431 1.014 . . . . 0.0 112.01 173.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.53 94.97 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.693 -0.629 . . . . 0.0 110.696 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.01 -32.48 69.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.846 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.78 94.58 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.469 -0.769 . . . . 0.0 112.221 167.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -63.83 -38.38 90.87 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.278 -0.889 . . . . 0.0 112.122 170.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.9 m -58.98 -30.41 67.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.047 -1.033 . . . . 0.0 113.548 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -39.27 85.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.115 0.966 . . . . 0.0 111.647 173.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.1 -39.66 48.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.316 0.646 . . . . 0.0 112.009 173.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.84 -35.46 72.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.826 0.85 . . . . 0.0 113.075 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -56.58 -23.31 39.65 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.448 1.899 . . . . 0.0 114.403 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.6 tp . . . . . 0 CA--C 1.545 0.772 0 O-C-N 121.191 -0.943 . . . . 0.0 112.676 172.924 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 p90 . . . . . 0 CA--C 1.536 0.437 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.62 -43.52 84.51 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.602 1.092 . . . . 0.0 111.785 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.8 m -59.92 -40.68 89.66 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.397 -0.815 . . . . 0.0 111.128 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -61.13 -60.13 4.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.29 -31.6 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.812 1.642 . . . . 0.0 113.253 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.0 m -66.12 -43.12 88.05 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.062 1.755 . . . . 0.0 111.736 173.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.17 30.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.434 0.694 . . . . 0.0 111.732 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.86 -38.65 86.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.535 -0.745 . . . . 0.0 112.274 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.8 m -57.65 -51.65 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.15 1.341 . . . . 0.0 111.225 173.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.58 -35.72 78.64 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.266 0.939 . . . . 0.0 112.445 174.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.54 -26.53 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -38.32 84.84 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.495 1.498 . . . . 0.0 112.424 174.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.8 p -86.22 -36.6 19.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.492 1.042 . . . . 0.0 112.839 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.57 -21.19 63.64 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 m -75.23 -36.76 61.3 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.054 -1.029 . . . . 0.0 112.661 167.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -79.23 -38.27 36.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.6 t 64.62 -49.26 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 129.025 2.93 . . . . 0.0 115.164 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.7 p -67.54 143.75 55.97 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.6 m 61.19 -38.4 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.823 2.449 . . . . 0.0 116.673 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -120.67 14.06 11.72 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.138 1.335 . . . . 0.0 113.651 -171.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.28 -1.61 43.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.315 1.436 . . . . 0.0 115.883 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -56.67 110.56 0.81 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.287 1.543 . . . . 0.0 109.864 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -53.72 134.15 41.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.895 0.878 . . . . 0.0 111.794 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 43.68 67.58 3.69 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.349 1.46 . . . . 0.0 112.778 -169.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.19 178.64 5.22 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.44 2.76 . . . . 0.0 111.898 -174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -30.71 16.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -42.77 99.1 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.865 1.666 . . . . 0.0 113.733 171.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 t -70.73 -37.29 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.572 -1.33 . . . . 0.0 111.278 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -65.17 -35.11 80.07 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.264 -0.897 . . . . 0.0 112.2 169.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -58.52 -49.29 77.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 116.847 -1.549 . . . . 0.0 110.214 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.259 31.1 m -62.49 -39.22 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 121.147 1.794 . . . . 0.0 112.335 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -41.91 90.49 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 120.373 1.442 . . . . 0.0 112.956 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -79.1 -43.96 23.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.93 0.892 . . . . 0.0 112.393 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.45 -36.83 81.96 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.708 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.7 mm -59.59 -36.88 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 120.296 1.407 . . . . 0.0 110.633 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.47 81.22 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.369 0.986 . . . . 0.0 111.65 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.44 -31.09 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.387 1.075 . . . . 0.0 112.671 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -79.76 -46.52 16.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.64 2.376 . . . . 0.0 111.582 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.3 m -61.04 -39.77 91.09 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.118 -0.989 . . . . 0.0 110.76 169.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -66.5 -40.05 89.05 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 117.237 -1.363 . . . . 0.0 113.37 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.0 p -63.67 -36.59 84.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 121.883 2.128 . . . . 0.0 112.038 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.5 m -60.78 -53.53 56.3 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.631 0.772 . . . . 0.0 111.896 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -64.98 -30.23 71.2 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.43 -38.79 71.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.333 1.453 . . . . 0.0 111.262 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.25 -26.88 65.9 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.4 mm -60.45 -44.37 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.234 0.925 . . . . 0.0 111.39 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.3 t . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 172.185 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.328 0.7 OUTLIER . . . . . 0 N--CA 1.479 0.988 0 N-CA-C 116.906 2.187 . . . . 0.0 116.906 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -139.04 -47.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.387 1.075 . . . . 0.0 113.063 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.63 -29.9 70.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.148 1.34 . . . . 0.0 111.356 166.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -57.06 -34.25 68.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.005 0.922 . . . . 0.0 112.343 170.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.32 77.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.198 1.363 . . . . 0.0 112.956 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -40.63 70.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.249 0.619 . . . . 0.0 111.15 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.46 -44.6 86.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.864 -0.523 . . . . 0.0 111.344 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.11 -46.0 82.98 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.74 170.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.57 72.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.807 1.639 . . . . 0.0 112.301 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -63.51 -46.84 84.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.083 1.31 . . . . 0.0 113.107 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 87' ' ' LEU . 30.9 m -77.02 -31.82 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.85 -49.1 84.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-O 116.85 -1.548 . . . . 0.0 108.526 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -49.55 -49.08 47.74 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.805 1.639 . . . . 0.0 112.139 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -66.58 -4.06 7.78 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.77 -45.11 2.9 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.96 1.704 . . . . 0.0 112.388 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 ' CE2' ' A' ' 80' ' ' PHE . 28.8 m -62.48 -37.1 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.118 1.367 . . . . 0.0 112.151 171.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -95.97 -0.93 50.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.83 1.252 . . . . 0.0 111.962 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -57.76 -33.23 68.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.78 -1.2 . . . . 0.0 113.265 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -78.02 -76.63 0.18 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.047 0.939 . . . . 0.0 110.338 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.7 t 169.19 115.17 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.187 2.595 . . . . 0.0 109.429 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -163.15 -53.78 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.653 0.781 . . . . 0.0 112.767 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 67.0 -39.47 0.36 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.285 2.234 . . . . 0.0 115.457 -176.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.8 m -68.06 -23.05 64.91 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.368 -1.457 . . . . 0.0 112.947 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -53.68 -23.5 11.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.501 1.921 . . . . 0.0 114.176 169.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.91 -35.78 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.119 0.872 . . . . 0.0 113.241 167.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.81 63.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.572 0.749 . . . . 0.0 112.155 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -56.97 -36.08 69.91 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.328 0.967 . . . . 0.0 112.374 173.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -22.49 43.87 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -69.6 -26.47 64.46 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.161 -0.962 . . . . 0.0 112.399 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.11 63.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.336 -0.852 . . . . 0.0 112.255 170.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.22 -42.5 73.42 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 168.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -57.14 -22.01 36.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -32.2 73.31 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.611 1.096 . . . . 0.0 112.71 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -32.08 73.46 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.263 -0.898 . . . . 0.0 112.29 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.92 -37.0 24.8 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.924 1.289 . . . . 0.0 111.195 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.41 93.87 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.589 -0.694 . . . . 0.0 111.372 165.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -63.05 -41.58 99.52 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.026 0.93 . . . . 0.0 112.195 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 t -54.23 -47.1 72.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.705 1.139 . . . . 0.0 112.429 171.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.391 1.076 . . . . 0.0 112.118 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.4 -38.57 55.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -35.86 77.43 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.656 -1.277 . . . . 0.0 113.034 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -28.07 68.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.193 0.997 . . . . 0.0 113.269 172.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.0 tp . . . . . 0 CA--C 1.545 0.758 0 C-N-CA 124.405 1.082 . . . . 0.0 111.879 172.231 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 p90 . . . . . 0 N--CA 1.465 0.302 0 N-CA-C 109.611 -0.515 . . . . 0.0 109.611 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -32.87 74.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 m -60.65 -44.09 96.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.031 0.832 . . . . 0.0 111.552 173.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -35.76 66.81 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.109 175.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.5 mt -58.39 -42.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.887 1.221 . . . . 0.0 110.624 170.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.9 m -58.7 -33.08 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 121.321 1.873 . . . . 0.0 113.254 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.52 -55.42 5.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.27 0.628 . . . . 0.0 111.993 171.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -47.69 84.47 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 124.262 1.025 . . . . 0.0 111.816 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . 0.489 ' HA ' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -60.41 -34.67 74.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 112.334 178.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -66.07 -52.01 52.8 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.397 -1.44 . . . . 0.0 111.267 167.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.64 -33.42 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 126.12 1.768 . . . . 0.0 113.729 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -53.71 -49.99 66.89 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.913 1.685 . . . . 0.0 111.236 174.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -43.06 48.3 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.28 -17.08 63.3 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 t -56.1 -25.75 46.98 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.865 1.266 . . . . 0.0 113.096 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.68 -29.72 40.88 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t 55.08 170.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 127.415 2.286 . . . . 0.0 112.5 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 m 68.98 5.37 5.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.866 -1.771 . . . . 0.0 114.439 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 t -149.19 -154.33 0.55 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.768 1.627 . . . . 0.0 110.371 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.9 p -41.33 135.1 2.06 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.572 1.549 . . . . 0.0 112.589 165.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.5 -119.46 1.02 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.834 1.207 . . . . 0.0 111.109 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.2 m -65.99 34.94 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.985 2.114 . . . . 0.0 115.123 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -135.98 17.44 3.25 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.268 1.827 . . . . 0.0 112.674 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 m120 40.88 66.79 3.29 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 127.15 2.18 . . . . 0.0 113.994 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -69.08 166.64 26.07 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.186 2.591 . . . . 0.0 113.299 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.12 -34.48 44.6 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.093 0.957 . . . . 0.0 112.534 172.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CE2' HG12 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -60.2 -57.19 13.87 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.757 1.223 . . . . 0.0 113.146 170.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -34.46 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.44 1.018 . . . . 0.0 111.304 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.7 t -68.21 -44.05 76.66 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.228 1.011 . . . . 0.0 111.998 171.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -55.87 -40.73 73.37 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 117.388 -1.292 . . . . 0.0 111.21 170.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.12 -38.81 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 120.789 1.631 . . . . 0.0 112.423 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -67.4 -47.63 69.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.95 1.25 . . . . 0.0 112.293 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.8 m -64.84 -42.93 94.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.08 0.952 . . . . 0.0 112.187 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -74.05 -31.37 62.85 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.425 179.106 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mm -54.79 -38.89 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 121.655 2.025 . . . . 0.0 111.367 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -49.11 76.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.42 0.554 . . . . 0.0 111.878 171.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.45 -35.63 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.439 1.096 . . . . 0.0 113.031 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -52.08 48.21 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.982 2.113 . . . . 0.0 110.535 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -62.13 -43.09 99.59 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.238 0.472 . . . . 0.0 111.727 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -65.47 -37.4 86.74 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.675 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.9 t -64.11 -41.86 97.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.391 1.45 . . . . 0.0 111.52 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.2 m -60.76 -51.4 69.49 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.798 -0.564 . . . . 0.0 111.853 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.5 m -64.35 -31.04 72.09 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -70.05 -44.34 69.39 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.061 1.345 . . . . 0.0 110.951 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.35 70.94 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.181 0.901 . . . . 0.0 113.41 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.91 -33.25 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.524 1.13 . . . . 0.0 112.643 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 p . . . . . 0 N--CA 1.482 1.135 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -174.845 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 . . . . . 0 N--CA 1.478 0.948 0 N-CA-C 113.696 0.998 . . . . 0.0 113.696 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -144.09 -57.77 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 111.921 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.65 -27.7 64.99 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.822 1.192 . . . . 0.0 112.053 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -53.81 -44.41 70.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.353 1.861 . . . . 0.0 112.875 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -30.42 71.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.276 0.944 . . . . 0.0 113.05 -175.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.82 -34.36 60.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.517 0.727 . . . . 0.0 111.158 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.37 -45.53 87.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.149 164.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.73 -48.28 66.8 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.599 1.091 . . . . 0.0 110.877 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.8 -45.91 78.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.068 0.849 . . . . 0.0 112.338 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.56 87.48 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.759 1.163 . . . . 0.0 113.542 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -80.64 -35.71 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.14 -0.975 . . . . 0.0 112.527 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.7 -44.04 99.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-O 117.289 -1.339 . . . . 0.0 107.836 170.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -53.77 -47.23 70.94 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.227 1.376 . . . . 0.0 112.029 173.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -60.3 -38.26 83.08 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.38 -50.92 23.04 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.217 1.007 . . . . 0.0 113.039 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.421 HG12 ' CD2' ' A' ' 80' ' ' PHE . 31.8 m -65.07 -33.3 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.217 1.407 . . . . 0.0 112.322 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.63 -12.71 47.75 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.185 0.994 . . . . 0.0 112.944 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -14.7 18.32 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.406 1.083 . . . . 0.0 113.416 170.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -101.19 19.64 17.21 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.418 1.887 . . . . 0.0 112.294 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 7.5 t 53.21 51.5 15.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.995 2.518 . . . . 0.0 114.364 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -120.14 76.71 1.19 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.219 1.407 . . . . 0.0 111.779 -174.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 m -58.1 -24.18 57.7 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.551 -1.343 . . . . 0.0 113.39 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -53.58 -26.4 21.48 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.804 -1.185 . . . . 0.0 113.758 171.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -72.2 -24.47 61.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.517 1.127 . . . . 0.0 112.846 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -66.75 -28.79 68.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.915 0.78 . . . . 0.0 113.094 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.52 81.02 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.821 0.737 . . . . 0.0 111.503 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.95 -22.98 67.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -50.78 -38.6 49.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.147 1.34 . . . . 0.0 112.975 171.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.54 -23.32 63.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.214 1.406 . . . . 0.0 112.765 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.51 -31.58 24.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.686 1.194 . . . . 0.0 112.657 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.87 -33.71 68.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.135 1.334 . . . . 0.0 111.284 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -59.62 -22.14 61.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -31.47 68.95 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.727 -1.233 . . . . 0.0 112.153 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.2 92.95 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.475 -0.765 . . . . 0.0 111.32 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -46.09 68.87 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.506 0.723 . . . . 0.0 112.095 173.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.85 -39.51 77.88 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.524 0.602 . . . . 0.0 111.958 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 m -69.68 -40.71 76.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.118 0.967 . . . . 0.0 112.766 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 m -63.96 -37.64 88.16 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.369 1.068 . . . . 0.0 113.485 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -40.2 81.24 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.744 1.617 . . . . 0.0 111.299 171.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.71 -32.99 64.18 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.635 -0.666 . . . . 0.0 112.559 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -39.18 72.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.189 0.996 . . . . 0.0 111.936 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.65 -21.89 64.8 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 tp . . . . . 0 CA--C 1.547 0.835 0 O-C-N 121.181 -0.95 . . . . 0.0 112.718 175.72 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 CA--C 1.547 0.832 0 N-CA-C 114.921 1.452 . . . . 0.0 114.921 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -38.13 4.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.589 1.956 . . . . 0.0 115.025 -175.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -65.9 -49.28 68.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.25 0.932 . . . . 0.0 111.681 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -40.43 73.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.385 1.074 . . . . 0.0 111.929 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mm -65.86 -46.99 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 117.543 -1.218 . . . . 0.0 110.414 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 t -61.26 -42.22 98.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.771 1.623 . . . . 0.0 111.694 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.95 61.88 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.664 -0.648 . . . . 0.0 112.603 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.58 -38.59 91.53 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.065 1.302 . . . . 0.0 111.796 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.6 m -53.77 -45.11 70.53 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.608 1.094 . . . . 0.0 111.432 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -64.45 -38.26 90.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.5 -34.09 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.802 1.637 . . . . 0.0 111.506 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -62.83 -48.14 80.37 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.47 1.032 . . . . 0.0 110.247 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 p -65.26 -49.1 70.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.096 0.559 . . . . 0.0 112.161 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -55.47 -27.4 48.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.358 2.263 . . . . 0.0 114.255 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.12 -40.11 92.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.169 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -72.81 -52.74 13.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.419 0.688 . . . . 0.0 111.661 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.07 145.63 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.685 1.594 . . . . 0.0 109.477 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.3 t -50.59 122.59 7.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.165 0.507 . . . . 0.0 112.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.7 p 41.28 56.7 3.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.054 2.542 . . . . 0.0 116.735 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -34.11 123.39 0.49 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.268 1.827 . . . . 0.0 114.15 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -78.49 0.61 Allowed Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.768 1.175 . . . . 0.0 112.051 -167.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 p -168.93 46.1 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.137 1.375 . . . . 0.0 113.34 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 60.63 21.82 11.68 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.269 1.428 . . . . 0.0 112.725 -171.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -163.54 78.25 1.66 Allowed Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 127.464 2.306 . . . . 0.0 107.878 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -69.01 177.58 4.92 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.44 2.093 . . . . 0.0 110.697 175.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.5 -27.42 4.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 167.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CD2' HG12 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -72.73 -42.9 63.61 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.693 1.197 . . . . 0.0 112.255 -177.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 t -72.13 -40.77 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.668 1.122 . . . . 0.0 111.171 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -61.42 -41.33 96.98 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.01 0.823 . . . . 0.0 111.116 173.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -61.77 -33.89 74.9 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 116.059 -1.924 . . . . 0.0 112.555 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.2 t -54.06 -45.16 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 122.922 2.601 . . . . 0.0 111.276 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -67.9 -48.03 67.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 121.606 2.003 . . . . 0.0 112.894 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -62.06 -44.64 96.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.606 -0.684 . . . . 0.0 112.081 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.0 -38.27 72.66 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.237 -1.839 . . . . 0.0 111.326 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.47 -39.15 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 122.37 2.35 . . . . 0.0 110.13 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.04 87.65 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.784 0.72 . . . . 0.0 112.708 172.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.61 -46.08 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.893 0.877 . . . . 0.0 112.094 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.63 -45.2 81.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.302 2.241 . . . . 0.0 111.244 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 m -59.67 -48.98 79.52 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.03 0.832 . . . . 0.0 111.985 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -67.33 -32.27 73.12 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.706 173.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 m -67.76 -43.79 79.0 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.048 1.749 . . . . 0.0 112.224 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.6 m -62.83 -48.67 78.06 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.909 0.777 . . . . 0.0 111.086 172.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.9 m -64.21 -34.22 77.59 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.67 -19.58 59.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.142 1.377 . . . . 0.0 112.582 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.57 -31.48 26.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.928 1.24 . . . . 0.0 112.473 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 mm -58.02 -43.33 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.91 1.284 . . . . 0.0 111.708 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.481 1.123 0 C-N-CA 124.804 1.242 . . . . 0.0 113.091 -179.051 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.3 0.3 OUTLIER . . . . . 0 N--CA 1.481 1.09 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -147.08 -45.05 0.18 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.055 1.342 . . . . 0.0 113.246 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -94.7 -38.36 10.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.93 0.786 . . . . 0.0 110.743 170.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.11 29.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 128.717 2.807 . . . . 0.0 113.955 172.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.572 HD13 HD22 ' A' ' 37' ' ' LEU . 3.5 pp -138.05 -37.72 0.58 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.541 1.536 . . . . 0.0 112.672 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.15 -45.54 9.5 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.016 0.825 . . . . 0.0 110.007 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.44 -43.62 96.63 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.048 0.939 . . . . 0.0 110.176 161.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.66 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -70.12 -30.68 67.93 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.093 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.27 49.04 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.09 -1.006 . . . . 0.0 110.344 166.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.352 -0.842 . . . . 0.0 113.088 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -80.96 -35.79 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.4 -0.813 . . . . 0.0 112.552 -175.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.46 -39.27 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.666 0.666 . . . . 0.0 109.65 168.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -41.48 96.78 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.337 0.971 . . . . 0.0 111.641 172.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -59.6 -22.95 62.52 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.319 -0.863 . . . . 0.0 113.184 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.3 -57.71 2.83 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.744 1.217 . . . . 0.0 112.079 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.45 -35.03 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 120.653 -1.279 . . . . 0.0 113.51 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -95.01 3.46 54.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.765 1.626 . . . . 0.0 111.332 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -55.61 -30.49 61.0 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.875 -1.141 . . . . 0.0 112.222 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -81.01 -94.11 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.502 1.521 . . . . 0.0 109.564 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -165.73 39.37 0.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.222 1.487 . . . . 0.0 111.965 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.94 56.93 0.64 Allowed 'General case' 0 CA--C 1.547 0.837 0 O-C-N 119.904 -1.748 . . . . 0.0 112.213 -155.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -52.91 -34.34 54.68 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.4 -1.437 . . . . 0.0 114.654 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -63.96 -29.46 70.62 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.769 -1.207 . . . . 0.0 112.98 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -28.47 69.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.951 1.301 . . . . 0.0 112.219 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -62.93 -22.51 66.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.7 70.95 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.732 1.151 . . . . 0.0 112.535 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -14.35 60.4 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.94 68.76 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.326 1.421 . . . . 0.0 111.875 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -72.7 -22.45 60.89 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.506 1.122 . . . . 0.0 113.129 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.53 38.14 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.955 -1.091 . . . . 0.0 112.126 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.63 -34.66 69.55 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.052 -1.03 . . . . 0.0 111.13 165.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -61.98 -25.42 67.61 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -34.54 65.31 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.69 1.132 . . . . 0.0 112.145 173.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.14 42.05 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.63 -0.669 . . . . 0.0 111.873 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.572 HD22 HD13 ' A' ' 7' ' ' LEU . 3.6 pp -65.57 -30.34 71.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 177.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.43 68.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.922 0.783 . . . . 0.0 112.282 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -59.59 -40.19 86.62 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.464 -0.772 . . . . 0.0 110.766 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -63.72 -21.49 66.43 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.41 75.29 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.269 1.395 . . . . 0.0 111.186 170.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.4 27.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 112.622 171.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -69.99 -16.61 63.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.778 -1.201 . . . . 0.0 113.645 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.2 -32.25 72.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.296 1.438 . . . . 0.0 111.94 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? . . . . . 0 N--CA 1.473 0.714 0 C-N-CA 123.951 0.901 . . . . 0.0 113.158 177.112 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.407 ' CE2' HD13 ' A' ' 58' ' ' ILE . 0.1 OUTLIER . . . . . 0 N--CA 1.471 0.578 0 N-CA-C 113.927 1.084 . . . . 0.0 113.927 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -65.62 -36.82 84.83 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.889 . . . . 0.0 112.827 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -60.94 -42.84 98.99 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.604 -0.685 . . . . 0.0 110.774 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.19 -56.72 12.77 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.676 -1.155 . . . . 0.0 111.983 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.407 HD13 ' CE2' ' A' ' 54' ' ' TYR . 1.2 pt -62.51 -30.36 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.297 1.862 . . . . 0.0 112.747 -175.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.7 t -70.66 -44.12 67.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.086 0.954 . . . . 0.0 112.003 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.85 -50.46 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.205 -0.934 . . . . 0.0 111.267 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -48.55 76.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.349 1.459 . . . . 0.0 112.055 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -61.76 -31.76 71.98 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.507 1.503 . . . . 0.0 113.11 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -75.46 -35.87 60.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.06 -1.025 . . . . 0.0 112.714 169.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.99 -30.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.837 1.255 . . . . 0.0 111.512 170.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -56.57 -41.85 77.6 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.362 1.437 . . . . 0.0 111.166 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -46.53 85.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 111.763 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 -10.86 59.9 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.064 1.346 . . . . 0.0 114.089 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.0 m -81.16 -23.39 38.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.549 1.54 . . . . 0.0 112.638 168.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -35.42 10.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.484 0.714 . . . . 0.0 112.425 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t 55.38 61.46 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.991 1.716 . . . . 0.0 112.594 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.9 p -140.28 -168.52 2.56 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.4 1.88 . . . . 0.0 110.964 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.0 m -44.86 -37.02 3.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.02 1.728 . . . . 0.0 113.204 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -85.73 50.1 1.9 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.29 1.836 . . . . 0.0 112.653 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.14 83.91 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.891 0.758 . . . . 0.0 114.22 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 t -145.36 47.87 1.28 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.642 1.177 . . . . 0.0 112.529 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.0 t30 62.28 107.75 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 128.286 2.634 . . . . 0.0 114.059 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 54.6 73.43 0.89 Allowed Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.265 1.426 . . . . 0.0 111.83 -166.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -65.16 -178.97 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.602 2.868 . . . . 0.0 111.78 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.82 -33.46 4.48 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.818 0.847 . . . . 0.0 113.122 169.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.41 -39.6 81.58 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.162 0.892 . . . . 0.0 113.322 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.12 -41.99 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.86 0.864 . . . . 0.0 110.659 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.19 94.83 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.93 -0.481 . . . . 0.0 111.277 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -63.21 -34.97 78.8 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.868 -1.539 . . . . 0.0 111.593 168.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.07 -41.8 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 121.222 1.828 . . . . 0.0 111.687 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.07 -44.06 81.06 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.203 1.365 . . . . 0.0 112.45 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -62.13 -50.08 73.3 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.152 0.981 . . . . 0.0 112.384 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 13' ' ' VAL . 1.4 pp -70.54 -32.89 70.5 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.583 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.0 mm -61.48 -37.24 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.782 1.628 . . . . 0.0 110.501 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.7 76.58 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.699 1.136 . . . . 0.0 111.712 172.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.89 -39.74 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 O-C-N 121.531 -0.731 . . . . 0.0 112.236 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.33 -40.28 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.198 1.799 . . . . 0.0 111.947 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 m -62.68 -39.16 93.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.821 1.191 . . . . 0.0 112.056 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -64.13 -48.97 74.02 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.419 -0.8 . . . . 0.0 110.761 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.6 m -61.18 -42.52 98.72 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.322 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.6 p -70.08 -49.13 54.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.108 0.867 . . . . 0.0 110.955 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -58.71 -33.96 70.77 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.642 1.11 . . . . 0.0 112.979 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.03 -50.27 62.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.54 -25.23 67.93 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.1 mm -52.56 -32.8 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.558 1.143 . . . . 0.0 112.33 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.7 p . . . . . 0 N--CA 1.478 0.971 0 C-N-CA 124.284 1.034 . . . . 0.0 113.729 -177.992 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 . . . . . 0 CA--C 1.552 1.048 0 N-CA-C 113.867 1.062 . . . . 0.0 113.867 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -140.71 -43.59 0.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.713 1.205 . . . . 0.0 113.822 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -77.65 -31.29 52.6 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.35 -0.843 . . . . 0.0 110.509 167.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.18 -40.1 70.32 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.662 1.185 . . . . 0.0 112.23 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.34 -29.09 68.66 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.91 -38.23 72.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.836 0.855 . . . . 0.0 111.261 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -77.44 -35.41 53.99 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.972 0.909 . . . . 0.0 111.934 171.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -37.44 87.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 125.367 1.467 . . . . 0.0 110.955 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.39 -49.01 73.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.488 167.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.83 -39.12 80.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 121.198 1.817 . . . . 0.0 113.798 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 87' ' ' LEU . 15.7 m -79.07 -32.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 177.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.58 -42.84 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.708 1.14 . . . . 0.0 110.101 168.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -56.92 -46.48 81.98 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.826 1.65 . . . . 0.0 110.936 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 m -58.5 -43.64 89.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.1 0.864 . . . . 0.0 112.591 172.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.89 67.14 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.87 0.759 . . . . 0.0 111.733 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 m -70.99 -39.38 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.324 -0.86 . . . . 0.0 113.26 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -10.91 59.71 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.513 -0.742 . . . . 0.0 112.833 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -18.06 50.37 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.738 -1.226 . . . . 0.0 113.5 166.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -94.63 14.85 19.7 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.033 1.333 . . . . 0.0 112.896 169.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.351 7.9 p 74.15 24.71 1.9 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 130.051 3.34 . . . . 0.0 115.719 175.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -97.63 64.3 1.79 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -166.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -55.8 -37.69 68.96 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -61.31 -29.97 70.21 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.032 -1.042 . . . . 0.0 112.615 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -67.98 -21.88 65.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -59.35 -27.19 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 169.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.51 92.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.143 0.883 . . . . 0.0 111.846 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -62.19 -37.93 87.18 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 0.0 112.121 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.08 -17.81 63.77 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.566 1.075 . . . . 0.0 113.771 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -69.24 -25.81 64.47 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.763 -1.211 . . . . 0.0 112.819 166.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.31 56.22 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.098 -1.001 . . . . 0.0 112.468 169.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -34.73 62.61 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.768 1.167 . . . . 0.0 111.789 166.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -61.63 -22.75 65.53 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -31.6 70.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.822 1.192 . . . . 0.0 112.644 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.36 -34.92 25.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.52 0.728 . . . . 0.0 111.593 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.9 -22.87 67.07 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 167.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.26 73.83 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.609 -1.307 . . . . 0.0 112.074 168.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -62.49 -34.17 76.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.211 -0.931 . . . . 0.0 111.785 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -61.7 -33.57 74.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.155 0.889 . . . . 0.0 113.027 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.85 92.82 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.078 0.854 . . . . 0.0 111.608 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.27 45.28 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.878 0.871 . . . . 0.0 112.394 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.26 -36.32 83.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.378 1.071 . . . . 0.0 112.784 175.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.24 -26.82 30.88 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.772 1.629 . . . . 0.0 114.111 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 tp . . . . . 0 CA--C 1.552 1.024 0 C-N-CA 124.517 1.127 . . . . 0.0 113.477 171.147 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 . . . . . 0 N--CA 1.471 0.582 0 N-CA-C 109.459 -0.571 . . . . 0.0 109.459 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -55.96 -33.81 65.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.541 -1.35 . . . . 0.0 112.326 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 m -59.02 -48.86 80.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 111.592 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.04 -36.3 48.68 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.08 0.855 . . . . 0.0 112.903 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.75 -50.43 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.254 1.388 . . . . 0.0 110.604 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -65.39 -48.83 71.52 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.0 0.52 . . . . 0.0 111.681 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.62 68.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.365 0.666 . . . . 0.0 112.4 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.86 -43.92 97.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 117.454 -1.26 . . . . 0.0 110.838 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.8 m -53.46 -42.75 67.5 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.552 1.069 . . . . 0.0 111.746 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.34 -32.28 69.93 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.56 -32.09 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.498 1.119 . . . . 0.0 111.106 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.43 -42.98 99.85 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.299 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -52.34 63.06 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.275 -1.515 . . . . 0.0 111.398 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -13.92 22.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.96 -39.63 49.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.989 0.916 . . . . 0.0 112.787 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.91 -0.494 . . . . 0.0 111.785 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 t 65.95 165.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.018 1.727 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 72' ' ' THR . 10.1 m 64.74 -176.68 0.17 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.012 1.325 . . . . 0.0 111.1 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.529 ' H ' HG22 ' A' ' 71' ' ' THR . 3.7 t 25.99 -91.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.492 2.717 . . . . 0.0 115.356 169.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.529 ' H ' HG23 ' A' ' 72' ' ' THR . 27.0 p -75.96 95.34 3.54 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.964 1.705 . . . . 0.0 111.147 169.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.95 -147.58 4.87 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 126.038 1.78 . . . . 0.0 111.16 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.38 45.32 0.1 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.615 1.566 . . . . 0.0 114.089 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.17 35.19 1.91 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.136 1.774 . . . . 0.0 112.212 -170.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.04 68.12 3.82 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.861 1.664 . . . . 0.0 112.991 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.14 175.52 6.55 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.373 2.715 . . . . 0.0 112.929 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.96 -22.12 3.65 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 117.74 -1.124 . . . . 0.0 113.69 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.29 -49.13 15.68 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.417 1.917 . . . . 0.0 112.079 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.1 -35.75 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.645 0.778 . . . . 0.0 111.02 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -69.88 -39.79 76.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.432 -0.793 . . . . 0.0 112.466 172.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -47.62 84.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.821 -1.562 . . . . 0.0 110.72 174.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.25 27.0 m -58.86 -26.57 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 121.228 1.831 . . . . 0.0 113.745 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -65.1 -44.27 89.39 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 121.177 1.808 . . . . 0.0 112.753 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.66 -38.53 25.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.656 -0.652 . . . . 0.0 112.378 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.541 HD13 HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -64.47 -45.51 87.05 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 117.239 -1.362 . . . . 0.0 111.193 177.129 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.5 mm -60.76 -37.9 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 121.044 1.747 . . . . 0.0 110.294 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -53.52 54.57 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 118.843 0.747 . . . . 0.0 112.056 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.9 t -65.2 -30.86 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.417 -0.802 . . . . 0.0 112.569 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.88 -47.86 56.92 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.091 2.156 . . . . 0.0 111.351 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 m -59.62 -40.87 89.0 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.253 -0.905 . . . . 0.0 111.426 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.96 -40.44 78.89 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.081 -0.961 . . . . 0.0 113.336 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.3 p -66.1 -33.64 76.25 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.849 1.659 . . . . 0.0 112.146 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -59.65 -55.85 29.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.519 0.728 . . . . 0.0 111.66 167.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.3 m -61.48 -32.2 72.2 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.833 1.197 . . . . 0.0 113.915 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -68.1 -43.73 77.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.5 1.52 . . . . 0.0 111.563 174.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.67 60.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 mm -64.29 -14.62 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.188 1.795 . . . . 0.0 112.193 167.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.48 1.045 0 C-N-CA 127.476 2.31 . . . . 0.0 113.167 176.365 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.48 1.047 0 N-CA-C 113.427 0.899 . . . . 0.0 113.427 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -145.41 -54.33 0.29 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.071 0.949 . . . . 0.0 112.801 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.62 -35.02 79.18 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.509 1.05 . . . . 0.0 110.447 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.27 -23.6 67.08 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.508 -1.235 . . . . 0.0 113.108 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -37.2 74.48 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.285 1.857 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -42.47 54.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.87 0.868 . . . . 0.0 112.084 -176.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -64.59 -47.42 78.72 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.278 0.631 . . . . 0.0 110.791 171.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.71 -34.89 79.25 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.165 0.986 . . . . 0.0 112.1 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.86 -54.81 42.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.367 0.985 . . . . 0.0 110.377 169.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.97 85.09 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.074 -1.016 . . . . 0.0 112.411 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -39.95 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.597 1.159 . . . . 0.0 112.92 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -71.66 -38.33 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.8 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -59.79 -32.23 70.43 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.668 1.122 . . . . 0.0 111.705 175.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 m -59.45 -15.65 18.67 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 169.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.28 -58.14 2.18 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.429 1.892 . . . . 0.0 110.575 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.43 HG13 ' HD2' ' A' ' 26' ' ' LYS . 3.5 t -46.71 -41.03 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 128.424 2.689 . . . . 0.0 112.91 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -104.58 4.9 33.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.332 1.453 . . . . 0.0 112.438 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -60.78 -27.49 68.03 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.039 -1.663 . . . . 0.0 112.816 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -83.2 7.55 15.84 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.606 1.562 . . . . 0.0 113.465 173.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.348 5.9 p 77.3 23.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 129.755 3.222 . . . . 0.0 115.791 174.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.95 87.18 6.82 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.5 m -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.102 -0.999 . . . . 0.0 113.475 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.8 m -70.77 -22.99 62.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 114.032 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HD2' HG13 ' A' ' 18' ' ' VAL . 18.7 mttp -71.06 -21.13 62.28 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.615 -1.303 . . . . 0.0 113.466 171.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -28.32 62.31 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.183 0.901 . . . . 0.0 112.828 171.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.51 81.97 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.272 -0.893 . . . . 0.0 113.014 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.61 -19.91 64.47 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.811 0.844 . . . . 0.0 113.003 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -53.36 -34.66 58.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.36 0.982 . . . . 0.0 113.113 170.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -72.64 -23.08 60.86 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -31.11 68.09 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.995 -1.065 . . . . 0.0 111.572 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -38.01 78.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.1 -1.0 . . . . 0.0 111.345 169.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 m -59.68 -22.52 62.06 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 172.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -38.5 85.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.96 1.255 . . . . 0.0 111.818 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.16 -49.6 55.34 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.691 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.06 -33.45 74.42 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.121 0.873 . . . . 0.0 112.915 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.71 98.27 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.15 0.886 . . . . 0.0 112.226 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -65.79 -41.06 92.44 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.39 0.676 . . . . 0.0 111.753 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -61.21 -36.79 80.85 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.448 1.499 . . . . 0.0 112.883 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.34 79.79 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.79 1.236 . . . . 0.0 111.314 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.67 54.17 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.69 -19.52 52.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.695 1.198 . . . . 0.0 113.243 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 tp -65.6 -35.16 80.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.227 1.411 . . . . 0.0 111.296 168.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp . . . . . 0 CA--C 1.547 0.842 0 C-N-CA 125.156 1.382 . . . . 0.0 113.999 -175.68 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 p90 . . . . . 0 CA--C 1.54 0.577 0 N-CA-C 113.965 1.098 . . . . 0.0 113.965 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.44 -34.31 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.305 -1.497 . . . . 0.0 112.592 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.0 m -64.78 -35.46 81.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.672 0.789 . . . . 0.0 111.889 168.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.39 -38.93 91.47 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.145 0.884 . . . . 0.0 111.448 172.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mm -64.81 -43.54 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.552 1.524 . . . . 0.0 111.131 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -62.26 -45.78 91.76 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 118.534 0.606 . . . . 0.0 111.952 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.0 51.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.669 0.788 . . . . 0.0 111.424 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.25 -47.43 79.64 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 117.417 -1.278 . . . . 0.0 111.92 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -60.42 -30.57 69.7 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 122.134 2.243 . . . . 0.0 112.573 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -50.88 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.09 -1.006 . . . . 0.0 112.353 167.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.43 -33.37 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.11 1.323 . . . . 0.0 112.45 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -52.8 -39.42 62.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.627 1.571 . . . . 0.0 111.539 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 m -83.41 -44.96 14.22 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.211 1.004 . . . . 0.0 112.834 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.21 -14.61 61.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.407 1.083 . . . . 0.0 113.541 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -66.57 -27.03 67.41 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.72 1.208 . . . . 0.0 112.678 168.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -34.82 33.65 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.486 1.114 . . . . 0.0 112.205 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t 57.07 37.22 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 125.918 1.687 . . . . 0.0 112.645 -177.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m -140.35 94.31 2.73 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.79 -1.194 . . . . 0.0 111.181 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m 65.28 -54.86 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.777 2.831 . . . . 0.0 114.354 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.5 p -70.35 98.72 1.45 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.068 2.147 . . . . 0.0 110.339 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.46 -83.9 0.15 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 125.353 1.454 . . . . 0.0 110.082 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t 45.16 29.56 0.53 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.536 1.935 . . . . 0.0 114.909 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.4 t30 49.65 114.59 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.631 2.372 . . . . 0.0 114.302 -155.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.06 78.6 0.31 Allowed Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 125.672 1.589 . . . . 0.0 112.363 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.92 178.27 4.21 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.627 2.884 . . . . 0.0 112.805 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -37.01 11.07 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.611 -0.68 . . . . 0.0 112.16 168.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -68.09 -26.8 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.289 1.035 . . . . 0.0 113.082 -178.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.24 -45.99 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.434 1.015 . . . . 0.0 110.386 167.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -40.73 97.34 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.847 0.459 . . . . 0.0 111.501 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -57.74 -57.21 13.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.436 1.495 . . . . 0.0 109.975 168.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.4 -39.27 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.123 1.369 . . . . 0.0 113.91 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -39.22 85.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.015 1.28 . . . . 0.0 111.955 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.3 m -82.69 -40.38 20.71 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.285 1.034 . . . . 0.0 112.026 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -29.57 68.96 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.847 -1.158 . . . . 0.0 113.538 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.88 -41.84 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.482 1.492 . . . . 0.0 110.997 168.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.96 85.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.378 0.535 . . . . 0.0 111.566 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.71 -33.84 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.11 -0.994 . . . . 0.0 111.7 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.89 -53.12 55.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.281 1.4 . . . . 0.0 111.457 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -65.5 -39.14 91.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.695 0.68 . . . . 0.0 112.055 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -66.14 -37.91 86.84 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.873 171.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m -60.6 -41.99 95.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.346 1.884 . . . . 0.0 111.9 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.2 m -61.55 -48.29 81.66 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.608 0.64 . . . . 0.0 111.88 172.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.3 m -63.76 -33.04 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -74.83 -26.13 59.49 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.65 1.18 . . . . 0.0 111.24 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.16 60.23 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.415 -1.428 . . . . 0.0 113.503 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.17 -45.2 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.414 1.006 . . . . 0.0 110.627 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.0 m . . . . . 0 N--CA 1.477 0.912 0 C-N-CA 125.389 1.476 . . . . 0.0 111.604 176.255 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -59.5 -26.32 65.19 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -99.12 -33.75 10.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 111.014 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 91' ' ' LEU . 59.3 m-20 -57.63 -41.23 80.92 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.817 177.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.01 -30.12 58.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.919 1.236 . . . . 0.0 114.145 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.1 -33.89 24.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.738 0.815 . . . . 0.0 111.146 -177.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.5 -38.34 80.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.438 1.095 . . . . 0.0 111.23 166.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.596 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -60.99 -41.15 95.91 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 123.666 0.787 . . . . 0.0 110.667 172.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 1.76 0.4 Allowed 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -108.44 -46.86 3.61 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.464 1.484 . . . . 0.0 111.963 168.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 10' ' ' LEU . 11.7 m -68.54 -37.95 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.309 -0.869 . . . . 0.0 111.953 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.42 -47.86 87.65 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.03 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.14 -47.44 68.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.619 1.554 . . . . 0.0 111.451 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 t -57.05 -40.99 77.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.655 0.782 . . . . 0.0 112.652 172.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.24 -53.29 12.97 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.946 1.298 . . . . 0.0 113.885 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.75 -24.69 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.658 1.583 . . . . 0.0 112.761 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.0 m -99.94 -5.8 27.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.786 1.234 . . . . 0.0 111.951 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -26.02 59.88 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.5 -1.375 . . . . 0.0 113.233 171.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -94.87 19.83 9.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.394 2.278 . . . . 0.0 112.757 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.277 4.0 p 66.5 8.88 6.1 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 128.781 2.832 . . . . 0.0 116.02 173.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -79.36 95.82 5.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 112.292 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -57.35 -32.29 66.6 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 120.873 -1.142 . . . . 0.0 112.745 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -69.41 -20.08 63.8 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.937 -1.102 . . . . 0.0 113.384 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -23.76 66.69 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 119.76 -1.837 . . . . 0.0 112.999 172.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.69 71.66 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.902 0.773 . . . . 0.0 112.831 167.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -31.16 71.53 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 112.036 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -30.18 66.72 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 117.942 -1.028 . . . . 0.0 113.041 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.52 -26.76 22.32 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 120.049 1.295 . . . . 0.0 113.864 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -28.97 70.23 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 171.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.73 -28.99 67.32 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.279 1.032 . . . . 0.0 111.859 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -35.15 74.68 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.953 -1.092 . . . . 0.0 110.484 168.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -66.24 -13.5 60.46 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.364 -1.46 . . . . 0.0 114.394 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.39 -29.45 63.76 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.538 -1.351 . . . . 0.0 111.935 168.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.74 98.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.637 -0.664 . . . . 0.0 110.3 170.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.9 -31.74 65.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.136 1.375 . . . . 0.0 112.845 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.96 82.67 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.68 0.673 . . . . 0.0 112.723 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -72.08 -41.53 67.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.378 0.671 . . . . 0.0 111.35 169.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -57.68 -36.31 71.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.738 0.815 . . . . 0.0 113.164 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -44.05 50.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.034 1.334 . . . . 0.0 112.179 171.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.21 -34.04 29.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.657 0.783 . . . . 0.0 112.484 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.39 -27.65 69.45 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.2 -0.938 . . . . 0.0 112.991 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -67.87 -31.64 71.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 112.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.0 tp . . . . . 0 N--CA 1.475 0.809 0 C-N-CA 123.954 0.902 . . . . 0.0 111.271 170.435 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 57' ' ' GLN . 0.0 OUTLIER . . . . . 0 CA--C 1.551 0.985 0 N-CA-C 113.586 0.958 . . . . 0.0 113.586 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -49.1 -36.97 20.15 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.698 -1.876 . . . . 0.0 113.601 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.5 m -64.22 -42.9 96.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.474 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -68.58 -42.64 77.97 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.926 1.239 . . . . 0.0 111.412 175.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.84 -49.97 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.242 1.383 . . . . 0.0 110.477 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -66.84 -41.39 87.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.428 0.558 . . . . 0.0 112.479 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.17 -52.88 56.86 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 123.75 0.82 . . . . 0.0 111.947 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.96 -42.96 99.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.52 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.0 m -54.0 -46.7 71.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 119.885 1.221 . . . . 0.0 112.538 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.49 -38.53 90.03 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.733 0.697 . . . . 0.0 112.165 173.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.97 -29.42 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.155 1.382 . . . . 0.0 112.105 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.46 -39.94 89.39 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.364 1.438 . . . . 0.0 111.151 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -46.66 51.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.68 1.992 . . . . 0.0 111.38 173.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.96 -14.75 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 114.391 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.0 t -74.39 -29.05 61.38 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.204 1.002 . . . . 0.0 112.65 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.83 -36.53 4.8 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 t 53.89 55.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.06 1.344 . . . . 0.0 112.07 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -112.05 -82.89 0.59 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.176 1.39 . . . . 0.0 112.216 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 m -107.25 24.09 13.4 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.042 2.137 . . . . 0.0 109.834 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 154.4 38.23 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.59 2.356 . . . . 0.0 110.388 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.19 87.4 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.27 1.414 . . . . 0.0 115.369 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.0 p 46.64 32.29 1.64 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.272 2.229 . . . . 0.0 116.346 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -162.58 -46.02 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.373 1.469 . . . . 0.0 110.934 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -154.09 73.67 6.29 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.332 1.853 . . . . 0.0 108.631 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.95 177.51 4.24 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.331 2.02 . . . . 0.0 110.827 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.75 -26.64 4.03 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -75.15 -38.86 60.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.146 0.978 . . . . 0.0 111.762 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -69.76 -47.23 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.703 1.138 . . . . 0.0 110.84 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -40.33 93.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.558 0.617 . . . . 0.0 112.331 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.07 -44.55 97.21 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 116.59 -1.672 . . . . 0.0 110.81 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.0 t -51.49 -35.68 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 121.323 1.874 . . . . 0.0 113.312 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.46 -46.02 88.14 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.94 2.155 . . . . 0.0 112.998 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.7 m -73.84 -44.7 54.81 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.355 -0.841 . . . . 0.0 111.98 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.452 HD13 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -60.39 -46.45 89.94 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-O 116.412 -1.756 . . . . 0.0 110.016 176.606 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mm -59.55 -39.0 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 121.141 1.791 . . . . 0.0 110.339 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.31 88.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.965 1.257 . . . . 0.0 113.073 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.6 t -77.41 -37.85 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 112.425 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 6' ' ' ASP . 0.6 OUTLIER -69.28 -45.26 70.07 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 128.072 2.549 . . . . 0.0 111.3 178.371 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.5 p -63.95 -46.91 82.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.848 0.749 . . . . 0.0 110.567 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -68.81 -27.82 66.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.522 -1.227 . . . . 0.0 112.813 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m -68.86 -47.77 65.11 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 121.421 1.919 . . . . 0.0 111.193 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -65.01 -41.29 95.46 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.871 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.1 m -70.07 -32.54 70.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.979 1.263 . . . . 0.0 114.242 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -70.34 -19.99 63.02 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.667 1.187 . . . . 0.0 112.387 168.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.69 -24.74 19.4 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.067 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.3 mt -53.95 -42.3 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.645 1.178 . . . . 0.0 111.371 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.474 0.774 0 CA-C-O 121.932 0.872 . . . . 0.0 112.653 179.044 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.261 10.5 pt-20 . . . . . 0 N--CA 1.486 1.335 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -150.95 -39.42 0.13 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.728 2.011 . . . . 0.0 112.555 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.55 -33.45 75.08 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.197 -0.94 . . . . 0.0 110.659 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . 0.569 ' HB2' HD11 ' A' ' 91' ' ' LEU . 6.1 p30 -55.47 -47.97 75.26 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.055 -1.45 . . . . 0.0 112.892 172.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -29.1 13.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.521 1.51 . . . . 0.0 113.285 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -67.47 -56.12 10.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.613 1.165 . . . . 0.0 112.376 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -72.63 -39.76 66.97 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.175 -0.953 . . . . 0.0 112.009 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 87' ' ' LEU . 2.4 tp -55.27 -47.84 74.92 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 126.617 1.967 . . . . 0.0 110.37 172.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.16 82.98 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.078 -0.963 . . . . 0.0 111.773 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.85 -46.24 91.36 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.122 1.783 . . . . 0.0 112.431 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.595 HG21 HD13 ' A' ' 87' ' ' LEU . 20.0 m -75.1 -30.84 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.34 -52.77 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.441 1.096 . . . . 0.0 109.886 167.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 30' ' ' ALA . 3.7 mp -55.62 -47.16 77.01 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.601 1.561 . . . . 0.0 110.831 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.9 m -57.63 -33.57 68.41 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.01 -40.68 18.12 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.479 1.036 . . . . 0.0 113.698 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -68.87 -31.92 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.233 -0.917 . . . . 0.0 112.117 173.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -4.24 51.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.65 1.18 . . . . 0.0 113.221 175.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -24.82 65.0 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.786 -1.196 . . . . 0.0 112.593 171.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -89.5 24.89 2.12 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.304 1.842 . . . . 0.0 112.287 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.5 p 59.16 19.11 7.09 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 128.825 2.85 . . . . 0.0 116.081 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.19 -43.36 78.26 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -166.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.8 -44.83 0.06 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.437 2.695 . . . . 0.0 116.812 -170.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.2 m -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.64 -1.288 . . . . 0.0 113.648 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -57.72 -17.26 14.22 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 172.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.6 m -63.74 -18.66 64.27 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.823 1.192 . . . . 0.0 113.712 165.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.65 67.63 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.717 -1.239 . . . . 0.0 112.334 168.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -22.32 66.19 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.12 -0.987 . . . . 0.0 113.112 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -57.92 -30.27 65.78 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 170.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.77 -28.82 60.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.334 -0.854 . . . . 0.0 112.037 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.78 -32.92 64.02 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.232 -0.917 . . . . 0.0 112.342 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HB2' HD11 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -55.23 -44.35 75.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.355 1.462 . . . . 0.0 111.86 166.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -56.36 -29.8 61.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -34.26 77.59 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.483 -1.386 . . . . 0.0 113.268 173.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.77 47.76 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.22 0.918 . . . . 0.0 109.799 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.39 -32.44 73.26 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.747 1.219 . . . . 0.0 113.178 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.42 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.444 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -60.3 -39.65 87.72 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.505 -0.747 . . . . 0.0 111.172 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -55.03 -34.46 63.52 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.496 1.118 . . . . 0.0 113.651 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -39.08 88.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.095 0.958 . . . . 0.0 111.584 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.03 -34.72 29.39 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.01 0.924 . . . . 0.0 112.339 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.02 70.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.293 1.037 . . . . 0.0 112.604 174.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.85 -28.16 69.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.398 1.479 . . . . 0.0 112.719 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp . . . . . 0 CA--C 1.543 0.687 0 O-C-N 121.355 -0.841 . . . . 0.0 112.25 176.455 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.0 p90 . . . . . 0 CA--C 1.542 0.658 0 N-CA-C 113.631 0.974 . . . . 0.0 113.631 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -56.95 -32.24 65.81 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.488 -1.382 . . . . 0.0 113.516 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.1 m -56.15 -49.91 72.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.914 0.886 . . . . 0.0 111.737 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.34 -27.15 52.66 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.01 -1.472 . . . . 0.0 112.691 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -37.91 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 121.411 1.914 . . . . 0.0 112.278 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 m -67.09 -46.15 75.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.921 0.888 . . . . 0.0 111.983 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.04 64.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.253 0.621 . . . . 0.0 111.327 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.7 tm? -52.8 -49.34 65.81 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.597 1.959 . . . . 0.0 111.564 175.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -51.05 -51.07 56.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.45 1.1 . . . . 0.0 110.983 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.17 -37.42 87.31 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.988 -0.445 . . . . 0.0 111.533 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.12 -33.98 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.089 1.756 . . . . 0.0 113.31 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.37 -48.56 81.16 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.2 1.363 . . . . 0.0 110.152 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 m -64.12 -56.36 15.4 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.586 1.155 . . . . 0.0 111.699 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.79 -7.96 9.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.541 1.537 . . . . 0.0 114.953 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -47.25 -36.4 8.96 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 112.536 160.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -49.21 7.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.412 1.085 . . . . 0.0 113.221 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.295 2.4 t 47.7 60.95 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 CA-C-O 123.164 1.459 . . . . 0.0 111.862 -175.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.7 t -157.08 -44.99 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.457 -1.402 . . . . 0.0 114.474 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -143.57 -39.23 0.31 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.404 1.082 . . . . 0.0 111.628 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -83.3 76.76 9.87 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.429 1.892 . . . . 0.0 110.545 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.01 -66.09 0.16 Allowed Glycine 0 CA--C 1.528 0.864 0 O-C-N 120.864 -1.148 . . . . 0.0 112.638 174.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t 48.2 27.28 1.25 Allowed 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 m120 50.86 110.85 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.126 2.17 . . . . 0.0 113.695 -157.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 55.85 75.46 0.59 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 125.41 1.484 . . . . 0.0 112.438 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.36 175.17 8.11 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.226 2.617 . . . . 0.0 111.825 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.79 -34.96 20.97 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.704 0.802 . . . . 0.0 112.963 174.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.75 -41.44 91.0 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.58 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.223 1.374 . . . . 0.0 111.351 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -73.23 -37.75 66.27 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.807 -0.558 . . . . 0.0 111.205 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -58.6 -45.17 89.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.063 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.08 -33.76 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 121.194 1.815 . . . . 0.0 113.168 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.54 76.92 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.967 1.258 . . . . 0.0 112.168 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.8 m -80.06 -51.94 8.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.151 0.98 . . . . 0.0 111.492 170.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -61.48 -39.04 89.48 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 117.591 -1.195 . . . . 0.0 112.225 -173.343 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.4 mm -58.59 -39.61 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 120.142 1.337 . . . . 0.0 109.863 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.8 70.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.619 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.44 -39.69 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.321 0.964 . . . . 0.0 111.511 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 6' ' ' ASP . 1.2 tm? -64.77 -48.94 72.67 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.033 2.533 . . . . 0.0 112.26 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 m -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.412 0.551 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.98 -29.97 70.45 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.642 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 m -67.85 -43.25 79.93 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 121.754 2.07 . . . . 0.0 111.609 174.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -61.31 -49.8 75.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.761 0.424 . . . . 0.0 111.113 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.4 m -63.62 -37.53 87.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.95 -28.98 68.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.059 1.344 . . . . 0.0 112.17 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.45 -16.62 36.58 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 174.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.99 -47.85 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.783 1.174 . . . . 0.0 111.193 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.3 p . . . . . 0 N--CA 1.482 1.131 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.558 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? . . . . . 0 CA--C 1.544 0.715 0 N-CA-C 109.445 -0.576 . . . . 0.0 109.445 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLN . . . . . 0.453 ' HA ' HD23 ' A' ' 7' ' ' LEU . 19.3 pt20 -81.5 -11.6 59.14 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -108.59 8.21 27.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.528 1.531 . . . . 0.0 111.257 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -144.31 43.57 1.41 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.869 3.268 . . . . 0.0 107.78 -171.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.58 HD22 HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -128.94 -36.24 1.8 Allowed 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 127.047 2.139 . . . . 0.0 109.894 167.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -83.94 -55.14 4.39 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.9 0.773 . . . . 0.0 110.483 -174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.31 -38.82 88.62 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.838 0.855 . . . . 0.0 111.756 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -40.31 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.212 0.605 . . . . 0.0 111.525 175.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.66 88.14 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.888 168.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -60.69 -42.57 97.42 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.89 2.132 . . . . 0.0 112.501 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.649 HG21 HD13 ' A' ' 87' ' ' LEU . 3.0 m -77.81 -32.46 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.648 1.113 . . . . 0.0 113.409 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.64 -40.77 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.334 1.425 . . . . 0.0 110.102 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -46.61 83.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.009 1.277 . . . . 0.0 110.259 170.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -57.22 -47.83 80.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.381 0.672 . . . . 0.0 112.27 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.89 68.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.711 1.204 . . . . 0.0 112.721 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -72.18 -23.35 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.731 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.18 -7.32 36.06 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.496 1.043 . . . . 0.0 112.9 174.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -14.15 30.69 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.138 1.375 . . . . 0.0 113.5 169.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.569 ' HB3' HG22 ' A' ' 73' ' ' THR . 8.6 m-80 -110.37 22.44 15.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.722 1.609 . . . . 0.0 111.896 171.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.9 p 56.48 19.4 4.1 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.96 2.904 . . . . 0.0 116.491 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.67 -38.75 75.64 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.88 -50.25 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.856 2.462 . . . . 0.0 115.109 -166.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 m -63.53 -28.34 69.88 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.194 1.397 . . . . 0.0 113.24 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -16.45 64.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.261 1.024 . . . . 0.0 113.344 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -61.7 -41.25 97.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.039 1.335 . . . . 0.0 112.628 165.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.42 74.5 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.297 -0.877 . . . . 0.0 111.079 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -40.19 75.37 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 118.524 0.602 . . . . 0.0 111.896 175.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.87 11.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -25.73 66.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.758 1.617 . . . . 0.0 112.669 167.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.31 69.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.447 -0.783 . . . . 0.0 112.416 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -37.32 72.44 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.46 1.027 . . . . 0.0 110.743 170.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -66.84 -19.92 65.83 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -29.51 70.39 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.631 -1.293 . . . . 0.0 111.74 169.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.28 82.21 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.304 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' LEU . . . . . 0.58 HD22 HD22 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -56.99 -45.64 82.83 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.922 1.237 . . . . 0.0 110.383 174.434 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.04 83.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.973 0.909 . . . . 0.0 111.994 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -65.46 -45.91 81.89 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.424 0.69 . . . . 0.0 112.078 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -61.55 -32.5 72.58 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.289 1.436 . . . . 0.0 113.433 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.27 73.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.045 0.938 . . . . 0.0 111.307 169.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.62 -26.61 41.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.913 0.885 . . . . 0.0 113.02 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -28.83 63.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.094 0.958 . . . . 0.0 112.566 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.19 -27.12 68.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.171 1.789 . . . . 0.0 113.158 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.4 tp . . . . . 0 N--CA 1.476 0.839 0 C-N-CA 125.265 1.426 . . . . 0.0 112.637 169.882 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.8 t80 . . . . . 0 CA--C 1.544 0.713 0 N-CA-C 112.661 0.615 . . . . 0.0 112.661 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.26 -45.85 79.1 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.614 -0.678 . . . . 0.0 110.924 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.3 m -59.06 -38.34 79.15 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.84 0.856 . . . . 0.0 112.244 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -77.35 -38.32 50.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.32 1.048 . . . . 0.0 112.155 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.14 -39.99 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.212 1.369 . . . . 0.0 111.198 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.7 m -61.1 -52.79 63.41 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.443 1.019 . . . . 0.0 112.089 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.06 75.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.59 0.756 . . . . 0.0 111.247 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.62 -49.8 61.24 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 117.037 -1.458 . . . . 0.0 111.813 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 t -59.75 -32.83 70.93 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.0 1.727 . . . . 0.0 112.571 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -78.7 -31.37 46.53 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.029 -1.044 . . . . 0.0 113.22 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.98 -30.48 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.453 -1.404 . . . . 0.0 111.652 168.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.7 -44.11 97.56 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.826 1.194 . . . . 0.0 109.787 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -49.4 76.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.829 1.652 . . . . 0.0 112.576 170.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.41 -5.88 45.01 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.47 -28.31 59.19 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.647 -1.283 . . . . 0.0 111.534 167.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -98.19 -46.14 5.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.751 0.821 . . . . 0.0 112.204 -177.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.263 85.3 t 54.29 54.08 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 123.132 1.444 . . . . 0.0 112.274 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 72' ' ' THR . 8.5 m -139.29 -145.98 0.2 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.448 1.899 . . . . 0.0 107.91 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' THR . . . . . 0.564 ' H ' HG22 ' A' ' 71' ' ' THR . 62.0 m -52.76 -29.76 29.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.313 1.845 . . . . 0.0 113.702 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' THR . . . . . 0.569 HG22 ' HB3' ' A' ' 21' ' ' ASN . 27.2 p -95.45 43.79 1.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.121 0.968 . . . . 0.0 111.534 -155.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.35 -62.64 0.04 OUTLIER Glycine 0 CA--C 1.532 1.123 0 C-N-CA 126.025 1.774 . . . . 0.0 113.058 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t 45.82 28.88 0.63 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.457 1.903 . . . . 0.0 115.686 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 60.71 110.68 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.921 2.488 . . . . 0.0 113.389 -170.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 58.71 79.96 0.29 Allowed Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.956 1.302 . . . . 0.0 111.13 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.84 169.5 18.86 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.624 2.216 . . . . 0.0 112.087 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.62 -27.91 7.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.852 165.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -40.1 88.04 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.943 1.247 . . . . 0.0 111.888 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -40.61 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.721 0.691 . . . . 0.0 111.44 177.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 t -68.34 -41.71 80.36 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.05 0.54 . . . . 0.0 110.99 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -60.95 -42.73 98.81 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 115.968 -1.968 . . . . 0.0 111.379 167.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.425 ' HA ' HD23 ' A' ' 87' ' ' LEU . 1.2 t -48.45 -43.09 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 121.369 1.895 . . . . 0.0 112.903 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.39 98.93 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.129 0.877 . . . . 0.0 112.764 177.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -72.96 -39.36 66.22 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.557 1.543 . . . . 0.0 112.464 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 13' ' ' VAL . 1.7 tp -52.81 -49.43 65.66 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 127.28 2.232 . . . . 0.0 110.426 170.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.69 -38.49 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 119.209 0.913 . . . . 0.0 110.853 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.4 69.11 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.757 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.24 -37.36 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 111.923 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 91' ' ' LEU . 1.2 tm? -63.32 -48.81 76.46 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.73 2.012 . . . . 0.0 111.111 174.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -59.4 -39.74 84.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.459 0.572 . . . . 0.0 111.264 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -68.87 -34.45 75.47 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.84 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -63.03 -44.82 94.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.22 1.827 . . . . 0.0 111.92 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -61.41 -48.83 79.42 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.569 0.622 . . . . 0.0 111.383 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.6 m -67.64 -28.61 67.86 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -70.32 -38.71 74.99 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.586 1.154 . . . . 0.0 111.518 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.34 -22.56 61.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -47.69 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.361 0.982 . . . . 0.0 110.782 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.479 1.013 0 C-N-CA 124.861 1.265 . . . . 0.0 114.141 170.647 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.479 1.551 0 N-CA-C 111.959 -0.456 . . . . 0.0 111.959 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.4 t -140.8 167.62 21.75 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 125.502 1.521 . . . . 0.0 110.433 -179.706 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.338 1.0 OUTLIER 47.79 15.95 0.07 Allowed 'General case' 0 N--CA 1.48 1.069 0 C-N-CA 127.667 2.387 . . . . 0.0 116.484 -176.249 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 12.3 pt20 -136.61 -46.99 0.61 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.49 1.516 . . . . 0.0 112.108 -179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 45.0 tp60 -68.8 -32.79 72.76 Favored 'General case' 0 N--CA 1.469 0.496 0 O-C-N 121.353 -0.842 . . . . 0.0 110.574 174.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 20.8 m-20 -58.56 -25.33 62.4 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 124.599 1.159 . . . . 0.0 112.437 172.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 70.6 mt -77.95 -38.0 46.26 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 123.778 0.831 . . . . 0.0 112.465 -178.08 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -67.8 -35.67 79.06 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 123.155 0.582 . . . . 0.0 111.568 168.548 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 82.5 m-20 -65.21 -39.9 93.41 Favored 'General case' 0 CA--C 1.539 0.52 0 O-C-N 121.587 -0.696 . . . . 0.0 111.48 169.145 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.43 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -60.13 -38.55 83.41 Favored 'General case' 0 N--CA 1.466 0.371 0 CA-C-N 119.539 1.063 . . . . 0.0 112.037 176.115 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.15 -49.98 75.1 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.082 0.856 . . . . 0.0 111.484 173.345 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -67.07 -34.65 78.13 Favored 'General case' 0 CA--C 1.544 0.73 0 O-C-N 121.211 -0.93 . . . . 0.0 113.363 178.361 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.43 HG12 ' HA ' ' A' ' 10' ' ' LEU . 0.3 OUTLIER -80.89 -33.63 13.36 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.722 0 C-N-CA 123.708 0.803 . . . . 0.0 112.693 -176.095 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 69.5 mt -69.78 -37.34 73.31 Favored 'Isoleucine or valine' 0 N--CA 1.466 0.349 0 O-C-N 121.432 -0.792 . . . . 0.0 109.381 169.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -55.63 -40.65 72.42 Favored 'General case' 0 N--CA 1.473 0.684 0 CA-C-N 119.882 1.219 . . . . 0.0 112.048 169.642 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 51.5 m -60.37 -21.91 62.68 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 170.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -89.34 -54.51 4.06 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 124.248 1.019 . . . . 0.0 111.857 173.174 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 22.8 m -67.93 -38.46 80.06 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.929 0 O-C-N 121.025 -1.047 . . . . 0.0 113.361 -175.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.3 m -78.75 -6.63 56.4 Favored 'General case' 0 N--CA 1.477 0.893 0 C-N-CA 124.198 0.999 . . . . 0.0 112.098 175.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.4 t -62.47 -23.66 67.02 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 120.392 -1.443 . . . . 0.0 112.99 174.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -82.47 7.21 14.93 Favored 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 124.826 1.25 . . . . 0.0 113.431 170.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.327 10.1 p 68.85 16.07 8.88 Favored 'General case' 0 N--CA 1.484 1.27 0 C-N-CA 129.908 3.283 . . . . 0.0 115.236 -175.05 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 22.3 m-20 -71.11 107.5 4.18 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 125.465 1.506 . . . . 0.0 112.999 -177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 90.4 m -67.35 -39.99 85.79 Favored 'General case' 0 N--CA 1.482 1.172 0 O-C-N 120.416 -1.427 . . . . 0.0 111.889 170.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 25.5 m -62.74 -22.74 66.77 Favored 'General case' 0 N--CA 1.474 0.774 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 -177.464 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 23.2 mmtm -60.64 -21.91 63.25 Favored 'General case' 0 N--CA 1.479 0.986 0 C-N-CA 124.342 1.057 . . . . 0.0 113.311 171.149 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 1.4 t -68.08 -22.89 64.89 Favored 'General case' 0 N--CA 1.471 0.584 0 O-C-N 121.385 -0.822 . . . . 0.0 113.062 172.764 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -70.74 -36.86 73.36 Favored 'General case' 0 CA--C 1.543 0.681 0 O-C-N 120.637 -1.289 . . . . 0.0 111.957 167.808 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.559 ' HB3' HD22 ' A' ' 65' ' ' LEU . 59.9 mmt-85 -66.93 -18.33 65.33 Favored 'General case' 0 N--CA 1.476 0.866 0 N-CA-C 114.138 1.162 . . . . 0.0 114.138 173.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -52.5 -40.2 62.13 Favored 'General case' 0 CA--C 1.547 0.836 0 CA-C-N 119.525 1.057 . . . . 0.0 112.402 168.546 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 64.0 mm-40 -68.31 -29.02 67.68 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.357 1.063 . . . . 0.0 112.768 177.257 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -78.4 -39.98 37.39 Favored 'General case' 0 CA--C 1.541 0.626 0 C-N-CA 123.853 0.861 . . . . 0.0 111.899 173.312 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -54.29 -37.16 64.45 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 124.757 1.223 . . . . 0.0 111.59 169.197 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 65.6 m -57.04 -23.12 44.2 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 172.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.05 -27.49 62.73 Favored 'General case' 0 N--CA 1.476 0.861 0 O-C-N 120.643 -1.286 . . . . 0.0 112.864 172.643 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -67.19 -38.89 86.13 Favored 'General case' 0 CA--C 1.537 0.443 0 O-C-N 120.957 -1.089 . . . . 0.0 111.437 169.337 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.68 -43.91 72.89 Favored 'General case' 0 N--CA 1.47 0.539 0 C-N-CA 124.727 1.211 . . . . 0.0 111.562 173.125 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -59.27 -34.34 72.15 Favored 'General case' 0 CA--C 1.544 0.746 0 N-CA-C 112.824 0.676 . . . . 0.0 112.824 175.878 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.94 -39.4 61.38 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.716 0.807 . . . . 0.0 112.519 175.017 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.8 m -60.34 -39.63 87.8 Favored 'General case' 0 N--CA 1.476 0.853 0 O-C-N 120.89 -1.131 . . . . 0.0 112.522 170.591 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 3.0 tp -57.94 -50.12 74.44 Favored 'General case' 0 CA--C 1.54 0.572 0 C-N-CA 125.588 1.555 . . . . 0.0 111.33 167.478 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -60.05 -31.12 69.68 Favored 'General case' 0 CA--C 1.542 0.657 0 N-CA-C 113.372 0.879 . . . . 0.0 113.372 179.523 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.71 -22.89 67.09 Favored 'General case' 0 CA--C 1.544 0.728 0 N-CA-C 113.954 1.094 . . . . 0.0 113.954 173.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -68.68 -33.56 74.18 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.9 1.227 . . . . 0.0 112.161 171.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 27.4 tp -64.76 -24.17 67.48 Favored 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 124.659 1.184 . . . . 0.0 112.915 177.391 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.3 pt -110.3 14.94 8.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.303 1.841 . . . . 0.0 112.212 176.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 17.2 m 58.29 16.1 3.81 Favored 'General case' 0 N--CA 1.479 0.987 0 C-N-CA 126.652 1.981 . . . . 0.0 115.191 177.838 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 14.0 tt0 -94.03 -0.56 55.39 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 124.747 1.219 . . . . 0.0 112.555 -172.664 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.0 p -86.12 2.05 48.21 Favored 'General case' 0 N--CA 1.474 0.756 0 N-CA-C 114.775 1.398 . . . . 0.0 114.775 175.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.4 t -51.98 -29.73 21.91 Favored 'General case' 0 N--CA 1.481 1.087 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -173.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -161.59 23.3 0.22 Allowed Glycine 0 CA--C 1.535 1.341 0 C-N-CA 124.152 0.882 . . . . 0.0 114.432 171.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 11.0 p -157.29 38.15 0.29 Allowed 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 124.757 1.223 . . . . 0.0 113.133 -164.353 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 18.7 m -29.17 -64.37 0.1 Allowed 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 128.153 2.581 . . . . 0.0 115.995 -168.48 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -170.96 64.81 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.04 1.336 . . . . 0.0 112.422 165.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 26.0 mp0 -52.19 -40.57 61.69 Favored 'General case' 0 N--CA 1.478 0.97 0 O-C-N 120.474 -1.392 . . . . 0.0 113.534 -177.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 5.9 m -63.46 -47.29 82.44 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 119.193 0.906 . . . . 0.0 112.215 179.026 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -67.62 -44.66 77.47 Favored 'General case' 0 N--CA 1.469 0.493 0 C-N-CA 123.826 0.85 . . . . 0.0 111.282 178.236 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 17.4 mm -62.14 -45.6 98.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.562 0 C-N-CA 123.862 0.865 . . . . 0.0 111.417 177.089 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 33.3 t -62.3 -48.13 81.24 Favored 'General case' 0 N--CA 1.468 0.47 0 C-N-CA 123.917 0.887 . . . . 0.0 112.496 174.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.88 -50.68 72.83 Favored 'General case' 0 CA--C 1.534 0.351 0 O-C-N 121.66 -0.65 . . . . 0.0 111.798 177.103 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -64.66 -41.36 96.16 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-O 117.672 -1.156 . . . . 0.0 111.478 179.172 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.9 m -51.8 -41.07 61.42 Favored 'General case' 0 N--CA 1.487 1.407 0 C-N-CA 124.581 1.152 . . . . 0.0 111.311 170.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 17.9 t-20 -74.49 -32.36 62.51 Favored 'General case' 0 CA--C 1.552 1.044 0 C-N-CA 124.361 1.064 . . . . 0.0 113.234 175.542 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.02 -33.54 58.79 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.957 0 O-C-N 120.234 -1.541 . . . . 0.0 111.674 168.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.559 HD22 ' HB3' ' A' ' 29' ' ' ARG . 1.9 mt -63.72 -42.08 97.99 Favored 'General case' 0 CA--C 1.541 0.605 0 CA-C-N 119.438 1.017 . . . . 0.0 110.451 172.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 2.7 t -56.24 -46.57 79.52 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 121.437 -0.789 . . . . 0.0 112.422 170.132 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 60.1 m-20 -66.82 -3.06 5.92 Favored 'General case' 0 CA--C 1.547 0.854 0 N-CA-C 114.951 1.463 . . . . 0.0 114.951 176.059 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 t -67.25 -33.05 74.5 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 120.347 -1.471 . . . . 0.0 112.228 166.703 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -99.55 -34.64 10.16 Favored 'General case' 0 CA--C 1.54 0.577 0 N-CA-C 113.271 0.841 . . . . 0.0 113.271 -168.738 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 43.4 t 41.01 69.56 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.487 1.417 0 C-N-CA 127.041 2.136 . . . . 0.0 112.708 174.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.0 t -152.94 -56.09 0.12 Allowed 'General case' 0 N--CA 1.478 0.971 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 -178.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 6.3 t -151.45 9.9 0.56 Allowed 'General case' 0 N--CA 1.482 1.149 0 C-N-CA 124.852 1.261 . . . . 0.0 112.136 -177.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 2.8 p -77.82 16.73 0.65 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 127.326 2.25 . . . . 0.0 114.978 -172.109 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 65.92 60.64 6.26 Favored Glycine 0 CA--C 1.531 1.066 0 C-N-CA 124.422 1.011 . . . . 0.0 113.367 172.409 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 6.1 m -58.82 10.92 0.01 OUTLIER 'General case' 0 N--CA 1.487 1.379 0 N-CA-C 117.233 2.308 . . . . 0.0 117.233 -174.069 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.4 m-20 -148.43 128.24 13.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 127.719 2.408 . . . . 0.0 108.049 166.085 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 5.5 m-20 34.78 63.51 1.96 Allowed Pre-proline 0 CA--C 1.557 1.242 0 C-N-CA 126.848 2.059 . . . . 0.0 114.627 -175.625 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 37.3 Cg_endo -66.0 168.53 15.32 Favored 'Trans proline' 0 C--N 1.352 0.712 0 C-N-CA 122.783 2.322 . . . . 0.0 113.08 -177.425 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.16 -29.96 15.31 Favored 'General case' 0 CA--C 1.539 0.537 0 CA-C-N 115.715 -0.675 . . . . 0.0 112.805 168.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -71.65 -42.83 67.07 Favored 'General case' 0 N--CA 1.472 0.66 0 CA-C-N 119.714 1.143 . . . . 0.0 112.819 179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 2.7 t -66.1 -40.87 88.32 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 123.743 0.817 . . . . 0.0 110.728 172.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 8.3 t -62.5 -39.74 94.47 Favored 'General case' 0 N--CA 1.47 0.554 0 O-C-N 121.674 -0.641 . . . . 0.0 111.904 172.222 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 4.2 tpt180 -60.76 -49.99 75.25 Favored 'General case' 0 N--CA 1.467 0.411 0 CA-C-O 117.414 -1.279 . . . . 0.0 111.28 175.613 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 32.3 m -60.73 -39.09 80.57 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 CA-C-N 120.171 1.35 . . . . 0.0 111.929 174.261 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.81 -44.67 90.89 Favored 'General case' 0 CA--C 1.542 0.671 0 CA-C-N 119.974 1.261 . . . . 0.0 113.058 177.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 61.5 m -78.12 -46.82 19.67 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 118.392 0.542 . . . . 0.0 112.26 177.681 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -66.72 -31.66 72.46 Favored 'General case' 0 C--O 1.22 -0.463 0 CA-C-O 117.49 -1.243 . . . . 0.0 112.413 -177.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.3 mm -59.24 -35.02 55.58 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 CA-C-N 120.737 1.608 . . . . 0.0 110.825 176.011 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -63.27 -45.67 90.41 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.567 1.076 . . . . 0.0 112.267 172.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 8.2 t -68.17 -43.84 84.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.922 0 C-N-CA 123.712 0.805 . . . . 0.0 111.548 177.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 64.2 tp -61.99 -42.15 98.83 Favored 'General case' 0 C--O 1.222 -0.354 0 C-N-CA 125.68 1.592 . . . . 0.0 111.22 176.687 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 17.1 m -56.6 -39.71 74.04 Favored 'General case' 0 N--CA 1.47 0.575 0 CA-C-N 119.902 1.228 . . . . 0.0 111.996 171.017 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -65.53 -49.06 70.35 Favored 'General case' 0 CA--C 1.539 0.546 0 CA-C-N 119.142 0.883 . . . . 0.0 111.244 174.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 66.0 m -62.37 -37.77 86.98 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.484 1.114 . . . . 0.0 113.724 178.604 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.0 m -71.04 -50.2 36.57 Favored 'General case' 0 N--CA 1.465 0.277 0 C-N-CA 124.437 1.095 . . . . 0.0 111.038 175.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 61.1 m -61.05 -32.24 71.87 Favored 'General case' 0 N--CA 1.476 0.862 0 CA-C-N 120.078 1.308 . . . . 0.0 112.799 174.563 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 21.5 t-20 -62.74 -45.69 91.53 Favored 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 123.977 0.911 . . . . 0.0 111.406 168.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.62 -31.89 72.82 Favored 'General case' 0 CA--C 1.549 0.938 0 N-CA-C 114.142 1.164 . . . . 0.0 114.142 173.053 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 44.4 mm -63.5 -42.8 97.49 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.915 0 CA-C-N 119.325 0.966 . . . . 0.0 111.789 174.457 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 64.6 m -148.53 76.66 1.36 Allowed 'General case' 0 N--CA 1.479 1.005 0 C-N-CA 124.494 1.117 . . . . 0.0 112.39 -178.857 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 146.31 60.27 0.02 OUTLIER Glycine 0 CA--C 1.532 1.154 0 C-N-CA 123.857 0.741 . . . . 0.0 114.157 -177.339 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -47.92 -41.91 25.84 Favored 'General case' 0 CA--C 1.548 0.869 0 N-CA-C 115.465 1.654 . . . . 0.0 115.465 -170.003 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 22.1 m 34.37 54.33 0.61 Allowed 'General case' 0 N--CA 1.487 1.409 0 C-N-CA 128.122 2.569 . . . . 0.0 114.276 169.384 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 126.05 -153.82 18.62 Favored Glycine 0 CA--C 1.534 1.271 0 C-N-CA 124.813 1.197 . . . . 0.0 111.979 -169.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -71.41 -68.96 1.49 Allowed Glycine 0 CA--C 1.536 1.35 0 O-C-N 122.153 -0.616 . . . . 0.0 113.248 176.586 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 13.6 p 169.94 72.3 0.0 OUTLIER 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 126.693 1.997 . . . . 0.0 112.788 -177.136 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 59.36 -63.33 0.04 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.95 2.5 . . . . 0.0 116.271 -179.189 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -110.23 -11.56 14.55 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 125.59 1.556 . . . . 0.0 112.718 169.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 48.58 47.23 20.74 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.839 1.656 . . . . 0.0 114.074 175.188 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.263 21.3 pt20 43.64 54.46 5.47 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.416 1.886 . . . . 0.0 113.569 -169.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 51.0 m 59.93 50.19 7.03 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 126.26 1.824 . . . . 0.0 113.044 -172.14 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.1 mm-40 51.2 50.89 18.08 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 126.62 1.968 . . . . 0.0 113.497 178.723 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -140.16 44.52 1.89 Allowed 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.554 1.542 . . . . 0.0 112.208 -174.61 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 28.5 t80 -135.63 108.07 7.36 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 125.064 1.345 . . . . 0.0 111.266 -178.673 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 33.1 tt0 -81.0 78.43 7.82 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.952 1.301 . . . . 0.0 111.822 -172.737 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -145.57 172.41 13.28 Favored 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.38 1.872 . . . . 0.0 111.29 -175.015 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 45.4 m -128.61 -33.46 2.07 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.843 1.657 . . . . 0.0 113.204 -176.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.255 1.353 0 C-N-CA 125.479 1.512 . . . . 0.0 111.292 175.456 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 1.444 0 CA-C-O 118.779 -1.012 . . . . 0.0 111.107 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.4 p 48.09 -171.01 0.02 OUTLIER 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 126.86 2.064 . . . . 0.0 114.676 -169.436 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 70.8 mm-40 52.3 34.48 14.86 Favored 'General case' 0 CA--C 1.551 1.005 0 C-N-CA 124.826 1.25 . . . . 0.0 113.65 -177.607 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 20.7 pt20 -135.53 -54.36 0.78 Allowed 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 124.823 1.249 . . . . 0.0 112.637 -176.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 1.5 tp60 -78.76 -39.26 36.58 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 123.783 0.833 . . . . 0.0 109.742 168.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -70.47 26.43 0.04 OUTLIER 'General case' 0 CA--C 1.551 1.002 0 C-N-CA 130.113 3.365 . . . . 0.0 113.261 177.476 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -131.98 -52.95 0.98 Allowed 'General case' 0 N--CA 1.466 0.356 0 C-N-CA 126.631 1.972 . . . . 0.0 109.879 -174.67 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -75.25 -45.05 42.55 Favored 'General case' 0 CA--C 1.544 0.722 0 CA-C-N 119.608 1.094 . . . . 0.0 110.966 179.292 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -65.59 -40.15 92.37 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.323 -0.86 . . . . 0.0 111.405 171.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.44 ' HA ' HG12 ' A' ' 13' ' ' VAL . 4.6 tp -69.04 -36.58 77.87 Favored 'General case' 0 CA--C 1.536 0.423 0 O-C-N 121.871 -0.518 . . . . 0.0 112.129 179.484 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.78 -51.47 69.85 Favored 'General case' 0 CA--C 1.533 0.324 0 O-C-N 121.658 -0.651 . . . . 0.0 110.492 171.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.0 -40.23 94.93 Favored 'General case' 0 CA--C 1.542 0.657 0 CA-C-N 119.366 0.985 . . . . 0.0 112.626 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.44 HG12 ' HA ' ' A' ' 10' ' ' LEU . 1.8 p -76.54 -34.1 23.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.869 0 O-C-N 121.362 -0.836 . . . . 0.0 112.588 -177.683 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 47.7 mt -66.78 -40.61 86.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.762 0 O-C-N 121.442 -0.786 . . . . 0.0 110.335 168.235 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.5 mp -55.45 -48.06 75.07 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 119.483 1.038 . . . . 0.0 111.527 171.494 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 58.0 m -56.19 -42.69 77.53 Favored 'General case' 0 N--CA 1.473 0.703 0 CA-C-N 119.182 0.901 . . . . 0.0 112.834 172.027 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -71.86 -37.82 70.18 Favored 'General case' 0 CA--C 1.547 0.834 0 N-CA-C 114.081 1.141 . . . . 0.0 114.081 -179.334 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 32.9 m -71.43 -42.08 73.21 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 O-C-N 120.863 -1.148 . . . . 0.0 111.93 175.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 69.8 p -78.75 -10.04 59.64 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 124.487 1.115 . . . . 0.0 113.98 178.429 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -57.87 -15.07 7.31 Favored 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 124.94 1.296 . . . . 0.0 113.907 169.517 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 54.7 m-80 -110.49 20.74 17.41 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 126.033 1.733 . . . . 0.0 112.025 175.29 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 5.1 t 55.48 45.43 25.13 Favored 'General case' 0 N--CA 1.48 1.051 0 C-N-CA 127.943 2.497 . . . . 0.0 115.16 176.026 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 -121.33 86.05 2.51 Favored 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 125.176 1.39 . . . . 0.0 112.258 -175.306 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 75.0 m -57.96 -41.23 82.42 Favored 'General case' 0 N--CA 1.484 1.265 0 O-C-N 120.869 -1.144 . . . . 0.0 113.062 178.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.9 m -59.67 -24.45 63.92 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.543 1.137 . . . . 0.0 113.715 178.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.6 tttt -67.31 -25.04 65.83 Favored 'General case' 0 CA--C 1.538 0.517 0 C-N-CA 125.626 1.57 . . . . 0.0 112.791 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 19.2 t -68.67 -35.47 77.27 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 123.947 0.899 . . . . 0.0 112.245 168.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.05 -32.43 73.62 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 120.899 -1.126 . . . . 0.0 112.057 169.898 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.5 mmp_? -63.7 -38.89 92.81 Favored 'General case' 0 N--CA 1.479 1.0 0 O-C-N 121.355 -0.84 . . . . 0.0 111.635 168.762 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -61.05 -15.43 32.36 Favored 'General case' 0 CA--C 1.545 0.772 0 N-CA-C 115.005 1.483 . . . . 0.0 115.005 178.136 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -65.0 -25.05 67.69 Favored 'General case' 0 CA--C 1.546 0.813 0 O-C-N 120.93 -1.106 . . . . 0.0 112.901 167.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -74.35 -33.03 63.01 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 120.984 -1.072 . . . . 0.0 112.809 173.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.5 -38.23 66.23 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.795 0.838 . . . . 0.0 110.789 168.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 16.1 m -58.99 -26.51 64.55 Favored 'General case' 0 N--CA 1.476 0.833 0 O-C-N 120.679 -1.263 . . . . 0.0 114.297 173.699 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.09 -33.08 74.98 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 119.431 1.014 . . . . 0.0 112.01 173.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -64.14 -43.53 94.97 Favored 'General case' 0 CA--C 1.534 0.358 0 O-C-N 121.693 -0.629 . . . . 0.0 110.696 172.591 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 11.8 mt -71.01 -32.48 69.28 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.846 -178.005 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.33 -39.78 94.58 Favored 'General case' 0 CA--C 1.545 0.778 0 O-C-N 121.469 -0.769 . . . . 0.0 112.221 167.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.5 t -63.83 -38.38 90.87 Favored 'General case' 0 N--CA 1.473 0.694 0 O-C-N 121.278 -0.889 . . . . 0.0 112.122 170.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 46.9 m -58.98 -30.41 67.92 Favored 'General case' 0 N--CA 1.473 0.679 0 O-C-N 121.047 -1.033 . . . . 0.0 113.548 173.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -59.99 -39.27 85.17 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.115 0.966 . . . . 0.0 111.647 173.552 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.1 -39.66 48.76 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.316 0.646 . . . . 0.0 112.009 173.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 35.9 t70 -58.84 -35.46 72.95 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 123.826 0.85 . . . . 0.0 113.075 177.074 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 65.5 tp -56.58 -23.31 39.65 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 126.448 1.899 . . . . 0.0 114.403 176.063 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 40.6 tp -65.22 -26.91 68.32 Favored 'General case' 0 CA--C 1.545 0.772 0 O-C-N 121.191 -0.943 . . . . 0.0 112.676 172.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.5 mt -105.94 163.6 4.61 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.816 0 C-N-CA 127.171 2.188 . . . . 0.0 108.637 -178.457 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 32.3 p -69.9 -86.06 0.02 OUTLIER 'General case' 0 CA--C 1.541 0.619 0 O-C-N 120.759 -1.213 . . . . 0.0 111.961 174.258 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 42.13 28.0 0.09 Allowed 'General case' 0 CA--C 1.553 1.072 0 C-N-CA 127.293 2.237 . . . . 0.0 115.204 -174.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 8.2 m -58.82 -28.86 66.42 Favored 'General case' 0 N--CA 1.477 0.905 0 C-N-CA 126.227 1.811 . . . . 0.0 114.339 -172.302 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 74.1 p -116.0 8.01 14.48 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 126.695 1.998 . . . . 0.0 112.555 175.513 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -97.46 7.22 63.63 Favored Glycine 0 CA--C 1.535 1.291 0 C-N-CA 126.404 1.955 . . . . 0.0 113.906 178.56 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 37.7 p 47.61 29.78 1.56 Allowed 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 127.435 2.294 . . . . 0.0 116.052 171.095 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.6 t -59.76 -47.36 85.97 Favored 'General case' 0 N--CA 1.476 0.841 0 O-C-N 121.129 -0.982 . . . . 0.0 112.583 -174.609 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 52.5 p90 -75.55 -35.33 60.68 Favored 'General case' 0 CA--C 1.536 0.437 0 N-CA-C 112.72 0.637 . . . . 0.0 112.72 170.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.3 tt0 -66.62 -43.52 84.51 Favored 'General case' 0 CA--C 1.538 0.502 0 CA-C-N 119.602 1.092 . . . . 0.0 111.785 -174.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 99.8 m -59.92 -40.68 89.66 Favored 'General case' 0 N--CA 1.474 0.749 0 O-C-N 121.397 -0.815 . . . . 0.0 111.128 174.465 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -61.13 -60.13 4.25 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-O 118.439 -0.791 . . . . 0.0 110.826 173.267 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 12.2 pt -63.29 -31.6 53.36 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.741 0 CA-C-N 120.812 1.642 . . . . 0.0 113.253 -177.048 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 38.0 m -66.12 -43.12 88.05 Favored 'General case' 0 N--CA 1.474 0.753 0 CA-C-N 121.062 1.755 . . . . 0.0 111.736 173.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.77 -54.17 30.6 Favored 'General case' 0 CA--C 1.539 0.538 0 C-N-CA 123.434 0.694 . . . . 0.0 111.732 174.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -60.86 -38.65 86.31 Favored 'General case' 0 CA--C 1.538 0.495 0 CA-C-O 118.535 -0.745 . . . . 0.0 112.274 178.22 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 48.8 m -57.65 -51.65 68.67 Favored 'General case' 0 N--CA 1.478 0.948 0 CA-C-N 120.15 1.341 . . . . 0.0 111.225 173.514 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 13.5 t-20 -61.58 -35.72 78.64 Favored 'General case' 0 CA--C 1.541 0.624 0 CA-C-N 119.266 0.939 . . . . 0.0 112.445 174.46 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -59.54 -26.53 34.83 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.486 0 N-CA-C 113.379 0.881 . . . . 0.0 113.379 177.059 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.77 -38.32 84.84 Favored 'General case' 0 N--CA 1.472 0.632 0 CA-C-N 120.495 1.498 . . . . 0.0 112.424 174.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 78.8 p -86.22 -36.6 19.34 Favored 'General case' 0 N--CA 1.474 0.729 0 CA-C-N 119.492 1.042 . . . . 0.0 112.839 172.294 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -69.57 -21.19 63.64 Favored 'General case' 0 CA--C 1.547 0.855 0 N-CA-C 114.089 1.144 . . . . 0.0 114.089 179.55 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 20.8 m -75.23 -36.76 61.3 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 121.054 -1.029 . . . . 0.0 112.661 167.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 15.1 t80 -79.23 -38.27 36.06 Favored 'General case' 0 CA--C 1.541 0.614 0 N-CA-C 112.418 0.525 . . . . 0.0 112.418 -177.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 19.6 t 64.62 -49.26 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.198 0 C-N-CA 129.025 2.93 . . . . 0.0 115.164 174.703 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 40.7 p -67.54 143.75 55.97 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.876 -1.14 . . . . 0.0 111.016 176.318 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 46.6 m 61.19 -38.4 0.11 Allowed 'General case' 0 N--CA 1.486 1.326 0 C-N-CA 127.823 2.449 . . . . 0.0 116.673 -175.425 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 63.8 p -120.67 14.06 11.72 Favored 'General case' 0 N--CA 1.482 1.147 0 CA-C-N 120.138 1.335 . . . . 0.0 113.651 -171.413 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -71.28 -1.61 43.62 Favored Glycine 0 CA--C 1.537 1.447 0 C-N-CA 125.315 1.436 . . . . 0.0 115.883 175.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 58.1 m -56.67 110.56 0.81 Allowed 'General case' 0 N--CA 1.474 0.763 0 CA-C-N 119.287 1.543 . . . . 0.0 109.864 166.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.2 m120 -53.72 134.15 41.94 Favored 'General case' 0 CA--C 1.543 0.699 0 C-N-CA 123.895 0.878 . . . . 0.0 111.794 -173.72 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.2 m-20 43.68 67.58 3.69 Favored Pre-proline 0 CA--C 1.552 1.049 0 C-N-CA 125.349 1.46 . . . . 0.0 112.778 -169.382 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -71.19 178.64 5.22 Favored 'Trans proline' 0 CA--C 1.539 0.736 0 C-N-CA 123.44 2.76 . . . . 0.0 111.898 -174.666 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.01 -30.71 16.0 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.826 1.047 . . . . 0.0 113.826 176.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -42.77 99.1 Favored 'General case' 0 CA--C 1.545 0.75 0 C-N-CA 125.865 1.666 . . . . 0.0 113.733 171.131 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.1 t -70.73 -37.29 68.5 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.799 0 O-C-N 120.572 -1.33 . . . . 0.0 111.278 176.728 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 49.0 m -65.17 -35.11 80.07 Favored 'General case' 0 N--CA 1.471 0.6 0 O-C-N 121.264 -0.897 . . . . 0.0 112.2 169.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 14.8 tpp180 -58.52 -49.29 77.93 Favored 'General case' 0 N--CA 1.469 0.52 0 CA-C-O 116.847 -1.549 . . . . 0.0 110.214 172.293 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.259 31.1 m -62.49 -39.22 83.62 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 121.147 1.794 . . . . 0.0 112.335 174.31 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.39 -41.91 90.49 Favored 'General case' 0 CA--C 1.544 0.721 0 CA-C-N 120.373 1.442 . . . . 0.0 112.956 178.654 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 98.0 m -79.1 -43.96 23.05 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 123.93 0.892 . . . . 0.0 112.393 176.571 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.45 -36.83 81.96 Favored 'General case' 0 C--O 1.221 -0.423 0 CA-C-O 117.807 -1.092 . . . . 0.0 111.708 -178.769 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 8.7 mm -59.59 -36.88 67.69 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.771 0 CA-C-N 120.296 1.407 . . . . 0.0 110.633 176.501 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.29 -48.47 81.22 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.369 0.986 . . . . 0.0 111.65 172.409 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 57.5 t -68.44 -31.09 49.84 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.999 0 C-N-CA 124.387 1.075 . . . . 0.0 112.671 178.635 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -79.76 -46.52 16.86 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 127.64 2.376 . . . . 0.0 111.582 -178.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 62.3 m -61.04 -39.77 91.09 Favored 'General case' 0 N--CA 1.469 0.484 0 O-C-N 121.118 -0.989 . . . . 0.0 110.76 169.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 42.3 mt-30 -66.5 -40.05 89.05 Favored 'General case' 0 C--N 1.343 0.318 0 CA-C-O 117.237 -1.363 . . . . 0.0 113.37 170.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.0 p -63.67 -36.59 84.33 Favored 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 121.883 2.128 . . . . 0.0 112.038 179.794 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 58.5 m -60.78 -53.53 56.3 Favored 'General case' 0 N--CA 1.469 0.501 0 C-N-CA 123.631 0.772 . . . . 0.0 111.896 169.272 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 69.9 m -64.98 -30.23 71.2 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 113.938 1.088 . . . . 0.0 113.938 178.677 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -71.43 -38.79 71.35 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 125.333 1.453 . . . . 0.0 111.262 173.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -68.25 -26.88 65.9 Favored 'General case' 0 CA--C 1.547 0.842 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 173.174 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 30.4 mm -60.45 -44.37 96.12 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 CA-C-N 119.234 0.925 . . . . 0.0 111.39 170.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 14.3 t -162.12 -48.53 0.04 OUTLIER 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 113.776 1.028 . . . . 0.0 113.776 172.185 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 121.38 60.84 0.23 Allowed Glycine 0 N--CA 1.474 1.196 0 C-N-CA 123.818 0.723 . . . . 0.0 114.107 177.251 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -138.1 31.45 2.42 Favored 'General case' 0 CA--C 1.551 1.01 0 N-CA-C 113.975 1.102 . . . . 0.0 113.975 -168.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 57.4 m -121.06 -70.68 0.77 Allowed 'General case' 0 N--CA 1.481 1.114 0 C-N-CA 124.027 0.931 . . . . 0.0 111.847 -176.209 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 55.84 -159.94 7.15 Favored Glycine 0 CA--C 1.542 1.746 0 C-N-CA 124.061 0.838 . . . . 0.0 115.101 -179.561 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 114.34 49.13 0.54 Allowed Glycine 0 CA--C 1.535 1.31 0 C-N-CA 123.898 0.761 . . . . 0.0 114.464 173.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 49.9 m 54.5 56.44 6.83 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.426 1.491 . . . . 0.0 114.22 175.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -111.85 56.97 0.64 Allowed 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.405 1.482 . . . . 0.0 113.069 -169.412 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -136.63 -17.15 1.49 Allowed 'General case' 0 N--CA 1.48 1.03 0 N-CA-C 116.105 1.891 . . . . 0.0 116.105 177.125 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 42.74 45.17 4.06 Favored 'General case' 0 CA--C 1.553 1.083 0 C-N-CA 125.486 1.514 . . . . 0.0 114.674 -177.255 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 34.8 tt0 44.09 73.64 0.14 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 126.467 1.907 . . . . 0.0 112.584 -169.572 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 72.7 p 45.31 42.1 6.93 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 126.677 1.991 . . . . 0.0 114.279 -173.454 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 5.7 mt-30 49.87 36.94 12.38 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.72 2.008 . . . . 0.0 114.265 -173.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -142.88 29.21 1.52 Allowed 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.593 1.557 . . . . 0.0 112.734 -174.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -49.1 115.0 1.13 Allowed 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 125.351 1.46 . . . . 0.0 112.063 176.224 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 54.37 129.77 0.0 OUTLIER 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 127.735 2.414 . . . . 0.0 115.857 -168.366 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.1 tp-100 -156.33 140.22 16.23 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 124.356 1.062 . . . . 0.0 111.057 175.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 8.0 t -160.15 170.0 22.12 Favored 'General case' 0 N--CA 1.473 0.72 0 C-N-CA 125.206 1.403 . . . . 0.0 110.937 169.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.326 0 C-N-CA 127.616 2.366 . . . . 0.0 114.314 -176.46 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.677 0 N-CA-C 112.413 -0.275 . . . . 0.0 112.413 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.5 m -89.05 168.67 12.15 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 124.946 1.298 . . . . 0.0 112.441 176.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.328 0.7 OUTLIER 50.55 10.3 0.06 Allowed 'General case' 0 N--CA 1.479 0.988 0 C-N-CA 128.676 2.79 . . . . 0.0 116.906 -174.443 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 61.6 tt0 -139.04 -47.88 0.49 Allowed 'General case' 0 N--CA 1.47 0.529 0 C-N-CA 124.387 1.075 . . . . 0.0 113.063 -174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 94.0 mm-40 -61.63 -29.9 70.36 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.148 1.34 . . . . 0.0 111.356 166.219 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -57.06 -34.25 68.06 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 124.005 0.922 . . . . 0.0 112.343 170.181 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -61.87 -35.32 77.95 Favored 'General case' 0 N--CA 1.471 0.59 0 CA-C-N 120.198 1.363 . . . . 0.0 112.956 -177.325 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -71.37 -40.63 70.49 Favored 'General case' 0 N--CA 1.468 0.432 0 C-N-CA 123.249 0.619 . . . . 0.0 111.15 176.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 72.1 m-20 -65.46 -44.6 86.72 Favored 'General case' 0 N--CA 1.467 0.422 0 O-C-N 121.864 -0.523 . . . . 0.0 111.344 173.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.3 mm? -57.11 -46.0 82.98 Favored 'General case' 0 C--O 1.22 -0.453 0 CA-C-O 117.934 -1.031 . . . . 0.0 110.74 170.314 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -54.82 -42.57 72.03 Favored 'General case' 0 CA--C 1.54 0.591 0 CA-C-N 120.807 1.639 . . . . 0.0 112.301 177.771 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -63.51 -46.84 84.2 Favored 'General case' 0 N--CA 1.473 0.711 0 CA-C-N 120.083 1.31 . . . . 0.0 113.107 178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.464 HG21 HD11 ' A' ' 87' ' ' LEU . 30.9 m -77.02 -31.82 18.98 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.958 0 N-CA-C 112.968 0.729 . . . . 0.0 112.968 -179.285 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 63.0 mt -62.85 -49.1 84.98 Favored 'Isoleucine or valine' 0 C--O 1.219 -0.512 0 CA-C-O 116.85 -1.548 . . . . 0.0 108.526 170.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 mp -49.55 -49.08 47.74 Favored 'General case' 0 N--CA 1.477 0.878 0 CA-C-N 120.805 1.639 . . . . 0.0 112.139 171.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 73.8 m -66.58 -4.06 7.78 Favored 'General case' 0 N--CA 1.475 0.787 0 N-CA-C 115.462 1.653 . . . . 0.0 115.462 174.35 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -115.77 -45.11 2.9 Favored 'General case' 0 CA--C 1.548 0.868 0 C-N-CA 125.96 1.704 . . . . 0.0 112.388 -179.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.41 HG12 ' CE2' ' A' ' 80' ' ' PHE . 28.8 m -62.48 -37.1 77.96 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 125.118 1.367 . . . . 0.0 112.151 171.711 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.9 m -95.97 -0.93 50.06 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 124.83 1.252 . . . . 0.0 111.962 178.321 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 8.1 t -57.76 -33.23 68.28 Favored 'General case' 0 N--CA 1.479 1.005 0 O-C-N 120.78 -1.2 . . . . 0.0 113.265 174.451 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 23.9 m-80 -78.02 -76.63 0.18 Allowed 'General case' 0 CA--C 1.542 0.649 0 C-N-CA 124.047 0.939 . . . . 0.0 110.338 176.197 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 4.7 t 169.19 115.17 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.1 0 C-N-CA 128.187 2.595 . . . . 0.0 109.429 174.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -163.15 -53.78 0.04 OUTLIER 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 123.653 0.781 . . . . 0.0 112.767 177.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER 67.0 -39.47 0.36 Allowed 'General case' 0 N--CA 1.481 1.105 0 C-N-CA 127.285 2.234 . . . . 0.0 115.457 -176.052 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.8 m -68.06 -23.05 64.91 Favored 'General case' 0 N--CA 1.478 0.946 0 O-C-N 120.368 -1.457 . . . . 0.0 112.947 172.652 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 63.9 mttt -53.68 -23.5 11.6 Favored 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 126.501 1.921 . . . . 0.0 114.176 169.044 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 49.7 m -61.91 -35.78 79.37 Favored 'General case' 0 N--CA 1.472 0.647 0 CA-C-N 119.119 0.872 . . . . 0.0 113.241 167.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -74.27 -35.81 63.78 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.572 0.749 . . . . 0.0 112.155 172.308 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mpt_? -56.97 -36.08 69.91 Favored 'General case' 0 N--CA 1.481 1.077 0 CA-C-N 119.328 0.967 . . . . 0.0 112.374 173.262 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.45 -22.49 43.87 Favored 'General case' 0 CA--C 1.546 0.826 0 N-CA-C 114.843 1.423 . . . . 0.0 114.843 175.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 81.1 mt-30 -69.6 -26.47 64.46 Favored 'General case' 0 CA--C 1.546 0.812 0 O-C-N 121.161 -0.962 . . . . 0.0 112.399 172.56 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.58 -31.11 63.42 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.336 -0.852 . . . . 0.0 112.255 170.497 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -55.22 -42.5 73.42 Favored 'General case' 0 N--CA 1.474 0.736 0 O-C-N 121.443 -0.786 . . . . 0.0 110.636 168.735 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 13.2 m -57.14 -22.01 36.93 Favored 'General case' 0 N--CA 1.473 0.694 0 N-CA-C 114.079 1.141 . . . . 0.0 114.079 175.055 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.87 -32.2 73.31 Favored 'General case' 0 N--CA 1.476 0.852 0 CA-C-N 119.611 1.096 . . . . 0.0 112.71 173.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.59 -32.08 73.46 Favored 'General case' 0 CA--C 1.538 0.491 0 O-C-N 121.263 -0.898 . . . . 0.0 112.29 172.513 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -82.92 -37.0 24.8 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.924 1.289 . . . . 0.0 111.195 -179.147 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -60.41 -41.41 93.87 Favored 'General case' 0 CA--C 1.543 0.703 0 O-C-N 121.589 -0.694 . . . . 0.0 111.372 165.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 20.4 t -63.05 -41.58 99.52 Favored 'General case' 0 CA--C 1.537 0.467 0 C-N-CA 124.026 0.93 . . . . 0.0 112.195 171.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 42.2 t -54.23 -47.1 72.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 119.705 1.139 . . . . 0.0 112.429 171.495 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -40.5 63.43 Favored 'General case' 0 CA--C 1.547 0.856 0 C-N-CA 124.391 1.076 . . . . 0.0 112.118 176.618 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.4 -38.57 55.47 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 113.117 0.784 . . . . 0.0 113.117 172.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -60.74 -35.86 77.43 Favored 'General case' 0 CA--C 1.539 0.55 0 O-C-N 120.656 -1.277 . . . . 0.0 113.034 178.621 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -60.49 -28.07 68.07 Favored 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.193 0.997 . . . . 0.0 113.269 172.365 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.0 tp -82.8 -39.1 22.21 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 124.405 1.082 . . . . 0.0 111.879 172.231 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 70.7 mt -68.86 -28.64 40.52 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.902 0 C-N-CA 125.176 1.39 . . . . 0.0 112.293 179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 19.7 m 79.75 3.79 2.08 Favored 'General case' 0 N--CA 1.481 1.084 0 C-N-CA 128.718 2.807 . . . . 0.0 114.899 178.509 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -81.31 4.37 20.83 Favored 'General case' 0 CA--C 1.549 0.937 0 N-CA-C 114.121 1.156 . . . . 0.0 114.121 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 24.9 m -51.73 -11.28 0.14 Allowed 'General case' 0 N--CA 1.476 0.836 0 N-CA-C 116.873 2.175 . . . . 0.0 116.873 174.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.9 t -59.31 -27.15 65.61 Favored 'General case' 0 N--CA 1.477 0.911 0 CA-C-N 120.288 1.404 . . . . 0.0 114.459 -177.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -118.31 -21.66 4.0 Favored Glycine 0 N--CA 1.476 1.366 0 N-CA-C 115.66 1.024 . . . . 0.0 115.66 -177.687 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 54.3 p -147.89 38.62 0.92 Allowed 'General case' 0 N--CA 1.473 0.707 0 CA-C-N 118.678 1.239 . . . . 0.0 113.831 -176.425 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 t -38.54 -61.56 0.69 Allowed 'General case' 0 N--CA 1.479 0.993 0 C-N-CA 126.714 2.006 . . . . 0.0 113.667 -178.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 28.3 p90 -155.51 -53.48 0.09 Allowed 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 126.236 1.815 . . . . 0.0 109.611 175.347 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -63.72 -32.87 74.5 Favored 'General case' 0 CA--C 1.536 0.435 0 N-CA-C 113.988 1.107 . . . . 0.0 113.988 -168.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 30.2 m -60.65 -44.09 96.82 Favored 'General case' 0 N--CA 1.479 0.994 0 CA-C-N 119.031 0.832 . . . . 0.0 111.552 173.41 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -73.04 -35.76 66.81 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-O 118.558 -0.734 . . . . 0.0 111.109 175.558 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 99.5 mt -58.39 -42.08 83.15 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.769 0 CA-C-N 119.887 1.221 . . . . 0.0 110.624 170.611 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 72.9 m -58.7 -33.08 69.78 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 121.321 1.873 . . . . 0.0 113.254 175.086 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -75.52 -55.42 5.69 Favored 'General case' 0 CA--C 1.54 0.579 0 C-N-CA 123.27 0.628 . . . . 0.0 111.993 171.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -59.33 -47.69 84.47 Favored 'General case' 0 C--O 1.22 -0.461 0 C-N-CA 124.262 1.025 . . . . 0.0 111.816 -179.101 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . 0.489 ' HA ' HD22 ' A' ' 65' ' ' LEU . 1.0 OUTLIER -60.41 -34.67 74.27 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 124.53 1.132 . . . . 0.0 112.334 178.896 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 32.0 t-20 -66.07 -52.01 52.8 Favored 'General case' 0 CA--C 1.548 0.882 0 O-C-N 120.397 -1.44 . . . . 0.0 111.267 167.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.4 mp -58.64 -33.42 48.69 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 126.12 1.768 . . . . 0.0 113.729 -179.319 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . 0.489 HD22 ' HA ' ' A' ' 62' ' ' THR . 0.7 OUTLIER -53.71 -49.99 66.89 Favored 'General case' 0 N--CA 1.465 0.289 0 C-N-CA 125.913 1.685 . . . . 0.0 111.236 174.57 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.78 -43.06 48.3 Favored 'General case' 0 C--O 1.233 0.231 0 N-CA-C 112.363 0.505 . . . . 0.0 112.363 174.312 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -64.28 -17.08 63.3 Favored 'General case' 0 CA--C 1.539 0.549 0 N-CA-C 113.918 1.081 . . . . 0.0 113.918 -178.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.9 t -56.1 -25.75 46.98 Favored 'General case' 0 CA--C 1.547 0.845 0 C-N-CA 124.865 1.266 . . . . 0.0 113.096 173.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 24.4 t80 -79.68 -29.72 40.88 Favored 'General case' 0 CA--C 1.545 0.757 0 N-CA-C 113.57 0.952 . . . . 0.0 113.57 172.469 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.4 t 55.08 170.36 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.485 1.313 0 C-N-CA 127.415 2.286 . . . . 0.0 112.5 -167.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 12.5 m 68.98 5.37 5.01 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 119.866 -1.771 . . . . 0.0 114.439 172.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 7.1 t -149.19 -154.33 0.55 Allowed 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.768 1.627 . . . . 0.0 110.371 -177.498 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 80.9 p -41.33 135.1 2.06 Favored 'General case' 0 CA--C 1.54 0.575 0 C-N-CA 125.572 1.549 . . . . 0.0 112.589 165.481 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 150.5 -119.46 1.02 Allowed Glycine 0 CA--C 1.53 0.97 0 C-N-CA 124.834 1.207 . . . . 0.0 111.109 -171.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 68.2 m -65.99 34.94 0.02 OUTLIER 'General case' 0 N--CA 1.481 1.091 0 C-N-CA 126.985 2.114 . . . . 0.0 115.123 172.747 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.2 t30 -135.98 17.44 3.25 Favored 'General case' 0 CA--C 1.551 0.99 0 C-N-CA 126.268 1.827 . . . . 0.0 112.674 -177.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.9 m120 40.88 66.79 3.29 Favored Pre-proline 0 CA--C 1.55 0.979 0 C-N-CA 127.15 2.18 . . . . 0.0 113.994 -172.695 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 77.9 Cg_endo -69.08 166.64 26.07 Favored 'Trans proline' 0 C--N 1.35 0.607 0 C-N-CA 123.186 2.591 . . . . 0.0 113.299 -173.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -52.12 -34.48 44.6 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 124.093 0.957 . . . . 0.0 112.534 172.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.41 ' CE2' HG12 ' A' ' 18' ' ' VAL . 0.4 OUTLIER -60.2 -57.19 13.87 Favored 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 124.757 1.223 . . . . 0.0 113.146 170.858 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -66.16 -34.46 70.34 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.913 0 CA-C-N 119.44 1.018 . . . . 0.0 111.304 -174.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 16.7 t -68.21 -44.05 76.66 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 124.228 1.011 . . . . 0.0 111.998 171.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 47.3 ttt85 -55.87 -40.73 73.37 Favored 'General case' 0 N--CA 1.471 0.617 0 CA-C-O 117.388 -1.292 . . . . 0.0 111.21 170.54 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 1.1 t -56.12 -38.81 55.42 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 CA-C-N 120.789 1.631 . . . . 0.0 112.423 176.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 70.9 mm-40 -67.4 -47.63 69.71 Favored 'General case' 0 N--CA 1.473 0.69 0 CA-C-N 119.95 1.25 . . . . 0.0 112.293 174.807 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 93.8 m -64.84 -42.93 94.52 Favored 'General case' 0 N--CA 1.479 0.992 0 C-N-CA 124.08 0.952 . . . . 0.0 112.187 178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.464 HD11 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -74.05 -31.37 62.85 Favored 'General case' 0 C--O 1.219 -0.55 0 CA-C-O 117.426 -1.273 . . . . 0.0 111.425 179.106 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.0 mm -54.79 -38.89 45.54 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.049 0 CA-C-N 121.655 2.025 . . . . 0.0 111.367 172.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.36 -49.11 76.85 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.42 0.554 . . . . 0.0 111.878 171.036 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 38.5 t -60.45 -35.63 64.22 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.104 0 C-N-CA 124.439 1.096 . . . . 0.0 113.031 175.445 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -66.8 -52.08 48.21 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.982 2.113 . . . . 0.0 110.535 176.236 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 66.9 m -62.13 -43.09 99.59 Favored 'General case' 0 N--CA 1.471 0.61 0 CA-C-N 118.238 0.472 . . . . 0.0 111.727 176.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 9.2 mt-30 -65.47 -37.4 86.74 Favored 'General case' 0 CA--C 1.534 0.337 0 CA-C-O 118.349 -0.834 . . . . 0.0 112.675 173.528 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 35.9 t -64.11 -41.86 97.1 Favored 'General case' 0 N--CA 1.472 0.659 0 CA-C-N 120.391 1.45 . . . . 0.0 111.52 176.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 72.2 m -60.76 -51.4 69.49 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.798 -0.564 . . . . 0.0 111.853 171.384 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 74.5 m -64.35 -31.04 72.09 Favored 'General case' 0 N--CA 1.476 0.834 0 N-CA-C 113.801 1.037 . . . . 0.0 113.801 177.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 28.8 t-20 -70.05 -44.34 69.39 Favored 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 125.061 1.345 . . . . 0.0 110.951 173.153 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.08 -30.35 70.94 Favored 'General case' 0 CA--C 1.547 0.84 0 CA-C-N 119.181 0.901 . . . . 0.0 113.41 175.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 15.7 mm -61.91 -33.25 57.12 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 124.524 1.13 . . . . 0.0 112.643 173.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 30.9 p -159.79 58.89 0.37 Allowed 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 114.136 1.162 . . . . 0.0 114.136 -174.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 179.26 86.98 0.07 OUTLIER Glycine 0 CA--C 1.531 1.093 0 O-C-N 120.988 -1.07 . . . . 0.0 113.589 -171.395 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -64.18 -21.48 66.58 Favored 'General case' 0 CA--C 1.551 0.983 0 N-CA-C 114.227 1.195 . . . . 0.0 114.227 176.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.7 p -70.4 107.82 3.98 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.955 1.702 . . . . 0.0 111.943 175.665 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -144.02 -62.35 0.02 OUTLIER Glycine 0 CA--C 1.534 1.228 0 C-N-CA 123.995 0.807 . . . . 0.0 113.909 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 159.27 -116.92 0.74 Allowed Glycine 0 CA--C 1.533 1.218 0 C-N-CA 124.254 0.93 . . . . 0.0 112.12 -178.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 17.3 m -143.89 73.36 1.38 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 126.031 1.733 . . . . 0.0 110.823 179.489 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.8 39.76 0.07 Allowed 'General case' 0 CA--C 1.557 1.219 0 C-N-CA 125.651 1.581 . . . . 0.0 114.288 177.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 4.5 t80 -96.03 -16.28 21.73 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.615 1.566 . . . . 0.0 114.093 -169.196 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -150.96 75.92 1.22 Allowed 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 126.13 1.772 . . . . 0.0 111.118 -179.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 12.4 mt-30 44.98 58.21 4.17 Favored 'General case' 0 N--CA 1.476 0.846 0 C-N-CA 126.295 1.838 . . . . 0.0 113.356 -172.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.3 t 57.7 53.51 7.1 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 124.974 1.31 . . . . 0.0 112.698 -173.114 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 25.7 pt20 42.04 42.6 2.43 Favored 'General case' 0 CA--C 1.549 0.904 0 C-N-CA 127.432 2.293 . . . . 0.0 114.883 -177.167 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -96.04 -16.8 21.4 Favored 'General case' 0 CA--C 1.545 0.766 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 -177.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 48.32 40.11 13.76 Favored 'General case' 0 CA--C 1.549 0.917 0 C-N-CA 126.032 1.733 . . . . 0.0 114.824 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -141.82 123.58 15.18 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 125.607 1.563 . . . . 0.0 110.393 -179.223 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 1.9 tp60 61.79 149.37 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.945 0 C-N-CA 127.785 2.434 . . . . 0.0 114.417 -170.088 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -160.73 55.22 0.31 Allowed 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 124.615 1.166 . . . . 0.0 111.614 179.878 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.303 0 C-N-CA 125.615 1.566 . . . . 0.0 112.055 -179.544 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.612 0 N-CA-C 111.604 -0.598 . . . . 0.0 111.604 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.1 m 54.07 -174.94 0.04 OUTLIER 'General case' 0 N--CA 1.481 1.107 0 C-N-CA 125.662 1.585 . . . . 0.0 113.719 -168.573 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 48.9 mt-10 54.86 29.33 11.82 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.395 1.478 . . . . 0.0 113.696 -172.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 30.5 tt0 -144.09 -57.77 0.38 Allowed 'General case' 0 N--CA 1.467 0.414 0 C-N-CA 124.775 1.23 . . . . 0.0 111.921 174.619 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -58.65 -27.7 64.99 Favored 'General case' 0 N--CA 1.48 1.049 0 CA-C-N 119.822 1.192 . . . . 0.0 112.053 176.147 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 55.7 m-20 -53.81 -44.41 70.18 Favored 'General case' 0 CA--C 1.536 0.442 0 C-N-CA 126.353 1.861 . . . . 0.0 112.875 170.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -62.77 -30.42 71.44 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.276 0.944 . . . . 0.0 113.05 -175.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -75.82 -34.36 60.12 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 123.517 0.727 . . . . 0.0 111.158 179.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -64.37 -45.53 87.34 Favored 'General case' 0 CA--C 1.535 0.379 0 CA-C-O 117.853 -1.07 . . . . 0.0 111.149 164.043 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -52.73 -48.28 66.8 Favored 'General case' 0 N--CA 1.471 0.604 0 CA-C-N 119.599 1.091 . . . . 0.0 110.877 174.867 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.8 -45.91 78.16 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 119.068 0.849 . . . . 0.0 112.338 173.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -65.98 -43.56 87.48 Favored 'General case' 0 CA--C 1.548 0.889 0 CA-C-N 119.759 1.163 . . . . 0.0 113.542 179.85 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 35.4 m -80.64 -35.71 15.2 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.14 -0.975 . . . . 0.0 112.527 -176.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 73.1 mt -62.7 -44.04 99.13 Favored 'Isoleucine or valine' 0 C--O 1.221 -0.438 0 CA-C-O 117.289 -1.339 . . . . 0.0 107.836 170.256 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.502 HD21 ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -53.77 -47.23 70.94 Favored 'General case' 0 N--CA 1.471 0.615 0 CA-C-N 120.227 1.376 . . . . 0.0 112.029 173.552 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 68.9 m -60.3 -38.26 83.08 Favored 'General case' 0 N--CA 1.473 0.687 0 N-CA-C 113.075 0.769 . . . . 0.0 113.075 173.19 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.38 -50.92 23.04 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.217 1.007 . . . . 0.0 113.039 179.496 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.421 HG12 ' CD2' ' A' ' 80' ' ' PHE . 31.8 m -65.07 -33.3 62.81 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.217 1.407 . . . . 0.0 112.322 178.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -86.63 -12.71 47.75 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 124.185 0.994 . . . . 0.0 112.944 176.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.12 -14.7 18.32 Favored 'General case' 0 N--CA 1.479 1.023 0 C-N-CA 124.406 1.083 . . . . 0.0 113.416 170.515 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -101.19 19.64 17.21 Favored 'General case' 0 CA--C 1.551 1.016 0 C-N-CA 126.418 1.887 . . . . 0.0 112.294 173.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.34 7.5 t 53.21 51.5 15.47 Favored 'General case' 0 N--CA 1.479 1.011 0 C-N-CA 127.995 2.518 . . . . 0.0 114.364 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 67.1 m-20 -120.14 76.71 1.19 Allowed 'General case' 0 CA--C 1.544 0.736 0 C-N-CA 125.219 1.407 . . . . 0.0 111.779 -174.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 63.3 m -58.1 -24.18 57.7 Favored 'General case' 0 N--CA 1.483 1.19 0 O-C-N 120.551 -1.343 . . . . 0.0 113.39 175.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 19.8 m -53.58 -26.4 21.48 Favored 'General case' 0 N--CA 1.478 0.953 0 O-C-N 120.804 -1.185 . . . . 0.0 113.758 171.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 mmtp -72.2 -24.47 61.41 Favored 'General case' 0 CA--C 1.541 0.598 0 C-N-CA 124.517 1.127 . . . . 0.0 112.846 178.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 14.3 m -66.75 -28.79 68.69 Favored 'General case' 0 N--CA 1.473 0.697 0 CA-C-N 118.915 0.78 . . . . 0.0 113.094 172.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -68.56 -39.52 81.02 Favored 'General case' 0 CA--C 1.545 0.781 0 CA-C-N 118.821 0.737 . . . . 0.0 111.503 168.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 4.2 mmp_? -64.95 -22.98 67.09 Favored 'General case' 0 N--CA 1.475 0.782 0 N-CA-C 114.498 1.296 . . . . 0.0 114.498 173.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -50.78 -38.6 49.05 Favored 'General case' 0 CA--C 1.543 0.699 0 CA-C-N 120.147 1.34 . . . . 0.0 112.975 171.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.4 mt-30 -69.54 -23.32 63.56 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.214 1.406 . . . . 0.0 112.765 177.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -84.51 -31.58 24.39 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 124.686 1.194 . . . . 0.0 112.657 170.47 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 27.8 tp -57.87 -33.71 68.98 Favored 'General case' 0 N--CA 1.476 0.872 0 CA-C-N 120.135 1.334 . . . . 0.0 111.284 168.248 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 43.3 m -59.62 -22.14 61.42 Favored 'General case' 0 N--CA 1.472 0.634 0 N-CA-C 114.238 1.199 . . . . 0.0 114.238 170.506 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -70.18 -31.47 68.95 Favored 'General case' 0 N--CA 1.476 0.849 0 O-C-N 120.727 -1.233 . . . . 0.0 112.153 172.621 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -65.05 -39.2 92.95 Favored 'General case' 0 CA--C 1.537 0.473 0 O-C-N 121.475 -0.765 . . . . 0.0 111.32 167.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -53.2 -46.09 68.87 Favored 'General case' 0 N--CA 1.473 0.676 0 C-N-CA 123.506 0.723 . . . . 0.0 112.095 173.008 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -57.85 -39.51 77.88 Favored 'General case' 0 CA--C 1.543 0.711 0 CA-C-N 118.524 0.602 . . . . 0.0 111.958 -179.702 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 11.6 m -69.68 -40.71 76.23 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 124.118 0.967 . . . . 0.0 112.766 172.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 37.7 m -63.96 -37.64 88.16 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 124.369 1.068 . . . . 0.0 113.485 176.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -58.27 -40.2 81.24 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 125.744 1.617 . . . . 0.0 111.299 171.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.71 -32.99 64.18 Favored 'General case' 0 CA--C 1.546 0.802 0 O-C-N 121.635 -0.666 . . . . 0.0 112.559 171.827 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -56.23 -39.18 72.13 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 124.189 0.996 . . . . 0.0 111.936 172.536 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 57.7 tp -61.65 -21.89 64.8 Favored 'General case' 0 CA--C 1.55 0.97 0 N-CA-C 113.997 1.11 . . . . 0.0 113.997 176.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.3 tp -70.74 -32.4 69.56 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.181 -0.95 . . . . 0.0 112.718 175.72 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 5.2 pt -103.71 -176.28 0.49 Allowed 'Isoleucine or valine' 0 N--CA 1.475 0.785 0 C-N-CA 126.844 2.057 . . . . 0.0 110.566 178.624 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 29.1 t -60.14 -70.26 0.18 Allowed 'General case' 0 N--CA 1.473 0.699 0 O-C-N 121.131 -0.981 . . . . 0.0 111.895 -177.42 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 29.2 mm-40 43.99 25.95 0.12 Allowed 'General case' 0 CA--C 1.552 1.038 0 C-N-CA 126.459 1.903 . . . . 0.0 115.564 178.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.7 m -62.57 -37.51 86.45 Favored 'General case' 0 N--CA 1.476 0.87 0 O-C-N 120.393 -1.442 . . . . 0.0 113.755 -173.455 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.5 t -83.62 -9.96 58.54 Favored 'General case' 0 N--CA 1.477 0.925 0 C-N-CA 123.954 0.902 . . . . 0.0 112.571 171.296 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -61.59 -29.62 72.4 Favored Glycine 0 CA--C 1.53 0.972 0 C-N-CA 125.53 1.538 . . . . 0.0 113.013 171.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.8 t 47.62 65.76 1.2 Allowed 'General case' 0 N--CA 1.474 0.771 0 CA-C-N 119.365 1.583 . . . . 0.0 113.995 168.704 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.7 t 54.5 57.0 6.17 Favored 'General case' 0 N--CA 1.477 0.879 0 C-N-CA 124.626 1.171 . . . . 0.0 111.985 -168.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER 37.1 55.36 1.27 Allowed 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 127.548 2.339 . . . . 0.0 114.921 -177.461 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -45.04 -38.13 4.64 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.589 1.956 . . . . 0.0 115.025 -175.235 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 2.4 m -65.9 -49.28 68.59 Favored 'General case' 0 N--CA 1.474 0.741 0 CA-C-N 119.25 0.932 . . . . 0.0 111.681 175.448 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -40.43 73.14 Favored 'General case' 0 N--CA 1.469 0.48 0 C-N-CA 124.385 1.074 . . . . 0.0 111.929 178.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 21.1 mm -65.86 -46.99 87.13 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-O 117.543 -1.218 . . . . 0.0 110.414 175.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.4 t -61.26 -42.22 98.25 Favored 'General case' 0 N--CA 1.474 0.757 0 CA-C-N 120.771 1.623 . . . . 0.0 111.694 175.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.02 -52.95 61.88 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.664 -0.648 . . . . 0.0 112.603 174.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -64.58 -38.59 91.53 Favored 'General case' 0 N--CA 1.467 0.418 0 CA-C-N 120.065 1.302 . . . . 0.0 111.796 177.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 86.6 m -53.77 -45.11 70.53 Favored 'General case' 0 N--CA 1.483 1.216 0 CA-C-N 119.608 1.094 . . . . 0.0 111.432 170.717 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 38.8 m-20 -64.45 -38.26 90.42 Favored 'General case' 0 CA--C 1.539 0.558 0 N-CA-C 113.29 0.848 . . . . 0.0 113.29 170.443 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.5 mp -62.5 -34.09 62.93 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 CA-C-N 120.802 1.637 . . . . 0.0 111.506 173.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 2.2 mt -62.83 -48.14 80.37 Favored 'General case' 0 N--CA 1.471 0.587 0 CA-C-N 119.47 1.032 . . . . 0.0 110.247 175.609 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 41.0 p -65.26 -49.1 70.9 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 123.096 0.559 . . . . 0.0 112.161 178.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -55.47 -27.4 48.09 Favored 'General case' 0 CA--C 1.542 0.653 0 C-N-CA 127.358 2.263 . . . . 0.0 114.255 177.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 26.8 t -61.12 -40.11 92.53 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.178 0.991 . . . . 0.0 113.169 174.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 9.1 t80 -72.81 -52.74 13.72 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 123.419 0.688 . . . . 0.0 111.661 178.072 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 22.9 m -145.07 145.63 20.64 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 125.685 1.594 . . . . 0.0 109.477 176.444 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 10.3 t -50.59 122.59 7.39 Favored 'General case' 0 N--CA 1.473 0.678 0 CA-C-O 121.165 0.507 . . . . 0.0 112.135 178.862 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 68.7 p 41.28 56.7 3.07 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 128.054 2.542 . . . . 0.0 116.735 177.656 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 25.7 m -34.11 123.39 0.49 Allowed 'General case' 0 N--CA 1.486 1.356 0 C-N-CA 126.268 1.827 . . . . 0.0 114.15 -178.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 71.73 -78.49 0.61 Allowed Glycine 0 CA--C 1.535 1.295 0 C-N-CA 124.768 1.175 . . . . 0.0 112.051 -167.5 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 30.0 p -168.93 46.1 0.04 OUTLIER 'General case' 0 N--CA 1.478 0.943 0 C-N-CA 125.137 1.375 . . . . 0.0 113.34 -174.328 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 60.63 21.82 11.68 Favored 'General case' 0 N--CA 1.485 1.324 0 C-N-CA 125.269 1.428 . . . . 0.0 112.725 -171.212 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.4 t-20 -163.54 78.25 1.66 Allowed Pre-proline 0 CA--C 1.548 0.875 0 C-N-CA 127.464 2.306 . . . . 0.0 107.878 176.743 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 87.7 Cg_endo -69.01 177.58 4.92 Favored 'Trans proline' 0 C--N 1.349 0.583 0 C-N-CA 122.44 2.093 . . . . 0.0 110.697 175.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.5 -27.42 4.29 Favored 'General case' 0 CA--C 1.541 0.616 0 N-CA-C 112.91 0.707 . . . . 0.0 112.91 167.127 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.421 ' CD2' HG12 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -72.73 -42.9 63.61 Favored 'General case' 0 N--CA 1.469 0.524 0 C-N-CA 124.693 1.197 . . . . 0.0 112.255 -177.225 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 16.3 t -72.13 -40.77 67.0 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.097 0 CA-C-N 119.668 1.122 . . . . 0.0 111.171 174.502 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 11.2 t -61.42 -41.33 96.98 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-N 119.01 0.823 . . . . 0.0 111.116 173.141 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 31.7 ttt85 -61.77 -33.89 74.9 Favored 'General case' 0 C--O 1.217 -0.654 0 CA-C-O 116.059 -1.924 . . . . 0.0 112.555 168.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 38.2 t -54.06 -45.16 65.04 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.077 0 CA-C-N 122.922 2.601 . . . . 0.0 111.276 172.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 7.2 mp0 -67.9 -48.03 67.16 Favored 'General case' 0 N--CA 1.477 0.923 0 CA-C-N 121.606 2.003 . . . . 0.0 112.894 176.507 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 75.0 m -62.06 -44.64 96.25 Favored 'General case' 0 N--CA 1.481 1.085 0 O-C-N 121.606 -0.684 . . . . 0.0 112.081 179.641 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -71.0 -38.27 72.66 Favored 'General case' 0 C--O 1.214 -0.773 0 CA-C-O 116.237 -1.839 . . . . 0.0 111.326 177.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.9 mm -55.47 -39.15 52.02 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.032 0 CA-C-N 122.37 2.35 . . . . 0.0 110.13 177.267 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.23 -47.04 87.65 Favored 'General case' 0 CA--C 1.549 0.907 0 CA-C-N 118.784 0.72 . . . . 0.0 112.708 172.205 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 49.1 t -67.61 -46.08 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 123.893 0.877 . . . . 0.0 112.094 177.416 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -56.63 -45.2 81.66 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 127.302 2.241 . . . . 0.0 111.244 173.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 15.0 m -59.67 -48.98 79.52 Favored 'General case' 0 N--CA 1.469 0.498 0 CA-C-N 119.03 0.832 . . . . 0.0 111.985 175.179 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.2 pt20 -67.33 -32.27 73.12 Favored 'General case' 0 N--CA 1.47 0.559 0 CA-C-O 117.925 -1.036 . . . . 0.0 112.706 173.64 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 22.6 m -67.76 -43.79 79.0 Favored 'General case' 0 N--CA 1.473 0.71 0 CA-C-N 121.048 1.749 . . . . 0.0 112.224 179.17 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 61.6 m -62.83 -48.67 78.06 Favored 'General case' 0 N--CA 1.467 0.424 0 CA-C-N 118.909 0.777 . . . . 0.0 111.086 172.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 66.9 m -64.21 -34.22 77.59 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 113.75 1.019 . . . . 0.0 113.75 176.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 22.1 t-20 -75.67 -19.58 59.04 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 125.142 1.377 . . . . 0.0 112.582 173.377 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -83.57 -31.48 26.31 Favored 'General case' 0 CA--C 1.546 0.79 0 CA-C-N 119.928 1.24 . . . . 0.0 112.473 169.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 9.4 mm -58.02 -43.33 84.79 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 C-N-CA 124.91 1.284 . . . . 0.0 111.708 173.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 65.3 m -145.44 54.18 1.19 Allowed 'General case' 0 N--CA 1.481 1.123 0 C-N-CA 124.804 1.242 . . . . 0.0 113.091 -179.051 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -77.42 -24.35 65.8 Favored Glycine 0 N--CA 1.475 1.281 0 O-C-N 120.811 -1.181 . . . . 0.0 115.215 -178.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -63.49 -38.41 91.02 Favored 'General case' 0 CA--C 1.544 0.745 0 C-N-CA 124.067 0.947 . . . . 0.0 113.269 -178.387 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 11.0 t -75.35 -33.7 61.11 Favored 'General case' 0 N--CA 1.479 0.99 0 C-N-CA 123.653 0.781 . . . . 0.0 112.335 173.006 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 57.59 -98.84 0.09 OUTLIER Glycine 0 CA--C 1.533 1.219 0 C-N-CA 126.153 1.835 . . . . 0.0 114.257 175.424 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 83.4 30.17 31.14 Favored Glycine 0 CA--C 1.536 1.374 0 C-N-CA 124.115 0.864 . . . . 0.0 114.648 176.501 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.1 t 57.25 62.77 2.08 Favored 'General case' 0 N--CA 1.477 0.884 0 C-N-CA 125.822 1.649 . . . . 0.0 113.627 178.751 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -47.5 -50.32 23.62 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.518 1.927 . . . . 0.0 115.607 -168.601 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -128.36 -3.35 5.54 Favored 'General case' 0 N--CA 1.478 0.95 0 C-N-CA 125.483 1.513 . . . . 0.0 112.896 176.019 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.06 33.79 1.82 Allowed 'General case' 0 CA--C 1.553 1.088 0 C-N-CA 126.464 1.906 . . . . 0.0 114.68 -175.62 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 44.2 tt0 -155.39 -61.33 0.11 Allowed 'General case' 0 CA--C 1.541 0.596 0 C-N-CA 125.397 1.479 . . . . 0.0 110.382 -177.366 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 18.8 m -87.91 34.33 0.72 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 126.354 1.862 . . . . 0.0 113.162 -172.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -148.19 50.43 1.03 Allowed 'General case' 0 CA--C 1.547 0.86 0 C-N-CA 125.634 1.574 . . . . 0.0 110.305 -171.497 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 54.51 45.45 26.96 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 126.575 1.95 . . . . 0.0 113.915 -172.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 6.5 t80 -137.92 60.07 1.64 Allowed 'General case' 0 CA--C 1.544 0.741 0 C-N-CA 124.686 1.195 . . . . 0.0 112.248 -172.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.6 pt20 -146.33 172.51 13.38 Favored 'General case' 0 N--CA 1.474 0.726 0 C-N-CA 124.796 1.238 . . . . 0.0 112.492 -176.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 14.9 pt20 -139.58 132.14 28.74 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.951 1.3 . . . . 0.0 110.869 175.04 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 5.8 t -158.34 177.27 11.44 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.643 1.577 . . . . 0.0 111.117 -178.499 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.334 0 C-N-CA 126.749 2.02 . . . . 0.0 113.497 -170.875 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.571 0 N-CA-C 110.645 -0.982 . . . . 0.0 110.645 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.8 p -55.8 158.96 3.35 Favored 'General case' 0 N--CA 1.474 0.755 0 C-N-CA 123.711 0.804 . . . . 0.0 112.345 168.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.3 0.3 OUTLIER 46.28 21.03 0.1 Allowed 'General case' 0 N--CA 1.481 1.09 0 N-CA-C 116.371 1.989 . . . . 0.0 116.371 -173.213 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 58.4 tp60 -147.08 -45.05 0.18 Allowed 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 125.055 1.342 . . . . 0.0 113.246 -176.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 40.6 tp60 -94.7 -38.36 10.85 Favored 'General case' 0 N--CA 1.473 0.696 0 CA-C-N 118.93 0.786 . . . . 0.0 110.743 170.548 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -65.11 29.31 0.02 OUTLIER 'General case' 0 CA--C 1.555 1.158 0 C-N-CA 128.717 2.807 . . . . 0.0 113.955 172.084 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.572 HD13 HD22 ' A' ' 37' ' ' LEU . 3.5 pp -138.05 -37.72 0.58 Allowed 'General case' 0 N--CA 1.467 0.407 0 C-N-CA 125.541 1.536 . . . . 0.0 112.672 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 2.3 t70 -89.15 -45.54 9.5 Favored 'General case' 0 N--CA 1.472 0.628 0 CA-C-N 119.016 0.825 . . . . 0.0 110.007 -176.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -60.44 -43.62 96.63 Favored 'General case' 0 CA--C 1.533 0.319 0 C-N-CA 124.048 0.939 . . . . 0.0 110.176 161.632 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.66 ' HA ' HG12 ' A' ' 13' ' ' VAL . 0.6 OUTLIER -70.12 -30.68 67.93 Favored 'General case' 0 CA--C 1.542 0.651 0 N-CA-C 113.216 0.821 . . . . 0.0 113.216 -175.093 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.89 -54.27 49.04 Favored 'General case' 0 CA--C 1.538 0.497 0 O-C-N 121.09 -1.006 . . . . 0.0 110.344 166.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.36 -34.19 74.9 Favored 'General case' 0 CA--C 1.544 0.712 0 O-C-N 121.352 -0.842 . . . . 0.0 113.088 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.66 HG12 ' HA ' ' A' ' 10' ' ' LEU . 0.7 OUTLIER -80.96 -35.79 14.75 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 O-C-N 121.4 -0.813 . . . . 0.0 112.552 -175.922 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 46.6 mt -68.46 -39.27 80.46 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.642 0 CA-C-N 118.666 0.666 . . . . 0.0 109.65 168.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.12 -41.48 96.78 Favored 'General case' 0 CA--C 1.536 0.404 0 CA-C-N 119.337 0.971 . . . . 0.0 111.641 172.52 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 8.1 t -59.6 -22.95 62.52 Favored 'General case' 0 CA--C 1.54 0.561 0 O-C-N 121.319 -0.863 . . . . 0.0 113.184 170.519 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -88.3 -57.71 2.83 Favored 'General case' 0 CA--C 1.546 0.826 0 C-N-CA 124.744 1.217 . . . . 0.0 112.079 173.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 30.0 m -63.45 -35.03 70.87 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.863 0 O-C-N 120.653 -1.279 . . . . 0.0 113.51 -178.168 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 3.8 m -95.01 3.46 54.89 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 125.765 1.626 . . . . 0.0 111.332 177.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 6.5 t -55.61 -30.49 61.0 Favored 'General case' 0 N--CA 1.483 1.191 0 O-C-N 120.875 -1.141 . . . . 0.0 112.222 168.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 43.0 m-80 -81.01 -94.11 0.05 OUTLIER 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 125.502 1.521 . . . . 0.0 109.564 174.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 13.3 t -165.73 39.37 0.06 Allowed 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.222 1.487 . . . . 0.0 111.965 177.463 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -106.94 56.93 0.64 Allowed 'General case' 0 CA--C 1.547 0.837 0 O-C-N 119.904 -1.748 . . . . 0.0 112.213 -155.04 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 41.2 m -52.91 -34.34 54.68 Favored 'General case' 0 N--CA 1.483 1.183 0 O-C-N 120.4 -1.437 . . . . 0.0 114.654 -176.425 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 22.8 t -63.96 -29.46 70.62 Favored 'General case' 0 N--CA 1.48 1.054 0 O-C-N 120.769 -1.207 . . . . 0.0 112.98 174.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.99 -28.47 69.59 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 124.951 1.301 . . . . 0.0 112.219 175.382 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 13.8 m -62.93 -22.51 66.82 Favored 'General case' 0 N--CA 1.469 0.523 0 N-CA-C 114.16 1.17 . . . . 0.0 114.16 172.161 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -63.42 -29.7 70.95 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.732 1.151 . . . . 0.0 112.535 172.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -75.55 -14.35 60.4 Favored 'General case' 0 N--CA 1.472 0.639 0 N-CA-C 113.343 0.868 . . . . 0.0 113.343 174.492 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.06 -34.94 68.76 Favored 'General case' 0 CA--C 1.546 0.809 0 CA-C-N 120.326 1.421 . . . . 0.0 111.875 170.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 40.8 mm-40 -72.7 -22.45 60.89 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.506 1.122 . . . . 0.0 113.129 172.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -80.05 -34.53 38.14 Favored 'General case' 0 CA--C 1.544 0.713 0 O-C-N 120.955 -1.091 . . . . 0.0 112.126 169.572 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -57.63 -34.66 69.55 Favored 'General case' 0 CA--C 1.545 0.767 0 O-C-N 121.052 -1.03 . . . . 0.0 111.13 165.081 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 20.2 m -61.98 -25.42 67.61 Favored 'General case' 0 N--CA 1.475 0.785 0 N-CA-C 114.252 1.205 . . . . 0.0 114.252 169.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -73.51 -34.54 65.31 Favored 'General case' 0 N--CA 1.476 0.849 0 CA-C-N 119.69 1.132 . . . . 0.0 112.145 173.372 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.22 -54.14 42.05 Favored 'General case' 0 CA--C 1.537 0.461 0 O-C-N 121.63 -0.669 . . . . 0.0 111.873 177.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.572 HD22 HD13 ' A' ' 7' ' ' LEU . 3.6 pp -65.57 -30.34 71.07 Favored 'General case' 0 CA--C 1.544 0.713 0 N-CA-C 113.528 0.936 . . . . 0.0 113.528 177.067 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -72.16 -40.43 68.0 Favored 'General case' 0 CA--C 1.54 0.586 0 CA-C-N 118.922 0.783 . . . . 0.0 112.282 174.245 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.5 t -59.59 -40.19 86.62 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.464 -0.772 . . . . 0.0 110.766 169.509 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 48.9 m -63.72 -21.49 66.43 Favored 'General case' 0 N--CA 1.467 0.399 0 N-CA-C 115.019 1.489 . . . . 0.0 115.019 174.613 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.39 -34.41 75.29 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 120.269 1.395 . . . . 0.0 111.186 170.025 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.54 -34.4 27.84 Favored 'General case' 0 CA--C 1.547 0.838 0 C-N-CA 124.115 0.966 . . . . 0.0 112.622 171.427 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.5 m-20 -69.99 -16.61 63.21 Favored 'General case' 0 N--CA 1.478 0.935 0 O-C-N 120.778 -1.201 . . . . 0.0 113.645 175.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -68.2 -32.25 72.33 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 125.296 1.438 . . . . 0.0 111.94 171.368 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -68.11 -35.15 77.67 Favored 'General case' 0 N--CA 1.473 0.714 0 C-N-CA 123.951 0.901 . . . . 0.0 113.158 177.112 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 29.2 pt -85.23 167.85 1.77 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.894 0 C-N-CA 123.658 0.783 . . . . 0.0 111.615 173.821 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 48.2 m -114.38 -11.78 12.47 Favored 'General case' 0 N--CA 1.481 1.106 0 N-CA-C 113.711 1.004 . . . . 0.0 113.711 179.579 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 12.8 mt-10 -83.65 19.84 1.55 Allowed 'General case' 0 N--CA 1.479 1.022 0 C-N-CA 126.241 1.816 . . . . 0.0 113.768 -179.211 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 4.0 m -134.36 22.0 3.71 Favored 'General case' 0 N--CA 1.477 0.901 0 C-N-CA 127.273 2.229 . . . . 0.0 112.213 178.46 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t 57.78 6.52 0.46 Allowed 'General case' 0 N--CA 1.481 1.089 0 C-N-CA 126.208 1.803 . . . . 0.0 114.821 -172.393 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 66.44 10.48 53.66 Favored Glycine 0 CA--C 1.54 1.614 0 C-N-CA 125.106 1.336 . . . . 0.0 114.586 -165.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 86.1 p -161.08 31.11 0.14 Allowed 'General case' 0 N--CA 1.478 0.953 0 CA-C-N 119.374 1.587 . . . . 0.0 114.358 -168.703 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 75.8 p -58.31 -8.37 1.13 Allowed 'General case' 0 N--CA 1.48 1.032 0 N-CA-C 115.511 1.671 . . . . 0.0 115.511 175.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.407 ' CE2' HD13 ' A' ' 58' ' ' ILE . 0.1 OUTLIER -46.69 -34.97 5.56 Favored 'General case' 0 N--CA 1.471 0.578 0 C-N-CA 125.346 1.458 . . . . 0.0 113.927 174.123 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 23.2 tt0 -65.62 -36.82 84.83 Favored 'General case' 0 CA--C 1.539 0.522 0 CA-C-N 119.155 0.889 . . . . 0.0 112.827 -173.319 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 97.8 m -60.94 -42.84 98.99 Favored 'General case' 0 N--CA 1.475 0.796 0 O-C-N 121.604 -0.685 . . . . 0.0 110.774 172.377 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -64.19 -56.72 12.77 Favored 'General case' 0 C--O 1.221 -0.397 0 CA-C-O 117.676 -1.155 . . . . 0.0 111.983 173.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.407 HD13 ' CE2' ' A' ' 54' ' ' TYR . 1.2 pt -62.51 -30.36 48.96 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 121.297 1.862 . . . . 0.0 112.747 -175.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 25.7 t -70.66 -44.12 67.74 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 124.086 0.954 . . . . 0.0 112.003 173.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.85 -50.46 70.84 Favored 'General case' 0 CA--C 1.539 0.548 0 O-C-N 121.205 -0.934 . . . . 0.0 111.267 171.621 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -56.16 -48.55 76.09 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 125.349 1.459 . . . . 0.0 112.055 176.692 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.3 t -61.76 -31.76 71.98 Favored 'General case' 0 N--CA 1.48 1.047 0 CA-C-N 120.507 1.503 . . . . 0.0 113.11 178.543 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -75.46 -35.87 60.79 Favored 'General case' 0 CA--C 1.547 0.858 0 O-C-N 121.06 -1.025 . . . . 0.0 112.714 169.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.99 -30.91 46.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 124.837 1.255 . . . . 0.0 111.512 170.45 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 28.7 mt -56.57 -41.85 77.6 Favored 'General case' 0 N--CA 1.475 0.806 0 CA-C-N 120.362 1.437 . . . . 0.0 111.166 174.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -58.26 -46.53 85.85 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.937 1.295 . . . . 0.0 111.763 172.84 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -79.4 -10.86 59.9 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 125.064 1.346 . . . . 0.0 114.089 -178.48 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 23.0 m -81.16 -23.39 38.28 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.549 1.54 . . . . 0.0 112.638 168.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -97.31 -35.42 10.73 Favored 'General case' 0 N--CA 1.472 0.631 0 C-N-CA 123.484 0.714 . . . . 0.0 112.425 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 3.2 t 55.38 61.46 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.199 0 C-N-CA 125.991 1.716 . . . . 0.0 112.594 176.408 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 67.9 p -140.28 -168.52 2.56 Favored 'General case' 0 N--CA 1.481 1.083 0 C-N-CA 126.4 1.88 . . . . 0.0 110.964 -176.219 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 51.0 m -44.86 -37.02 3.58 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.02 1.728 . . . . 0.0 113.204 168.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 7.4 p -85.73 50.1 1.9 Allowed 'General case' 0 N--CA 1.47 0.544 0 C-N-CA 126.29 1.836 . . . . 0.0 112.653 178.337 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -174.14 83.91 0.08 OUTLIER Glycine 0 CA--C 1.529 0.956 0 C-N-CA 123.891 0.758 . . . . 0.0 114.22 178.331 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.4 t -145.36 47.87 1.28 Allowed 'General case' 0 CA--C 1.547 0.839 0 C-N-CA 124.642 1.177 . . . . 0.0 112.529 -175.422 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 18.0 t30 62.28 107.75 0.02 OUTLIER 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 128.286 2.634 . . . . 0.0 114.059 -177.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 13.9 m-20 54.6 73.43 0.89 Allowed Pre-proline 0 CA--C 1.551 0.982 0 C-N-CA 125.265 1.426 . . . . 0.0 111.83 -166.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -65.16 -178.97 0.92 Allowed 'Trans proline' 0 C--N 1.353 0.807 0 C-N-CA 123.602 2.868 . . . . 0.0 111.78 177.434 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -46.82 -33.46 4.48 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.818 0.847 . . . . 0.0 113.122 169.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -68.41 -39.6 81.58 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 119.162 0.892 . . . . 0.0 113.322 179.657 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 74.3 t -75.12 -41.99 44.88 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.079 0 C-N-CA 123.86 0.864 . . . . 0.0 110.659 175.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -64.51 -43.19 94.83 Favored 'General case' 0 N--CA 1.471 0.575 0 O-C-N 121.93 -0.481 . . . . 0.0 111.277 177.508 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 53.4 ttt85 -63.21 -34.97 78.8 Favored 'General case' 0 C--O 1.221 -0.438 0 CA-C-O 116.868 -1.539 . . . . 0.0 111.593 168.1 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -55.07 -41.8 61.36 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.926 0 CA-C-N 121.222 1.828 . . . . 0.0 111.687 173.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 98.9 mm-40 -67.07 -44.06 81.06 Favored 'General case' 0 CA--C 1.544 0.72 0 CA-C-N 120.203 1.365 . . . . 0.0 112.45 175.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 63.9 m -62.13 -50.08 73.3 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 124.152 0.981 . . . . 0.0 112.384 176.357 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.591 HD13 HG11 ' A' ' 13' ' ' VAL . 1.4 pp -70.54 -32.89 70.5 Favored 'General case' 0 C--O 1.219 -0.512 0 CA-C-O 117.291 -1.338 . . . . 0.0 111.583 -179.542 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 5.0 mm -61.48 -37.24 77.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 CA-C-N 120.782 1.628 . . . . 0.0 110.501 173.204 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -60.21 -49.7 76.58 Favored 'General case' 0 CA--C 1.545 0.776 0 CA-C-N 119.699 1.136 . . . . 0.0 111.712 172.727 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 24.7 t -67.89 -39.74 82.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.023 0 O-C-N 121.531 -0.731 . . . . 0.0 112.236 178.698 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 27.5 tp -65.33 -40.28 93.48 Favored 'General case' 0 CA--C 1.536 0.429 0 C-N-CA 126.198 1.799 . . . . 0.0 111.947 175.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 27.2 m -62.68 -39.16 93.09 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 119.821 1.191 . . . . 0.0 112.056 170.307 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 5.8 mm-40 -64.13 -48.97 74.02 Favored 'General case' 0 CA--C 1.541 0.599 0 O-C-N 121.419 -0.8 . . . . 0.0 110.761 172.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 71.6 m -61.18 -42.52 98.72 Favored 'General case' 0 N--CA 1.47 0.573 0 C-N-CA 124.987 1.315 . . . . 0.0 113.322 177.853 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 59.6 p -70.08 -49.13 54.1 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-N 119.108 0.867 . . . . 0.0 110.955 179.145 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 49.0 m -58.71 -33.96 70.77 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.642 1.11 . . . . 0.0 112.979 174.252 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 11.9 t-20 -67.03 -50.27 62.54 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 123.614 0.766 . . . . 0.0 110.9 170.553 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -62.54 -25.23 67.93 Favored 'General case' 0 CA--C 1.547 0.83 0 N-CA-C 115.334 1.605 . . . . 0.0 115.334 178.594 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 19.1 mm -52.56 -32.8 17.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.159 0 C-N-CA 124.558 1.143 . . . . 0.0 112.33 173.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 51.7 p -152.61 31.85 0.51 Allowed 'General case' 0 N--CA 1.478 0.971 0 C-N-CA 124.284 1.034 . . . . 0.0 113.729 -177.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -179.96 61.61 0.08 OUTLIER Glycine 0 CA--C 1.532 1.125 0 O-C-N 121.275 -0.89 . . . . 0.0 113.566 -168.343 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -55.14 -24.93 28.78 Favored 'General case' 0 CA--C 1.552 1.057 0 N-CA-C 115.236 1.569 . . . . 0.0 115.236 -178.066 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 91.4 m -67.83 94.79 0.48 Allowed 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.643 1.577 . . . . 0.0 111.601 173.076 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -108.29 -23.4 6.68 Favored Glycine 0 CA--C 1.539 1.582 0 C-N-CA 124.576 1.084 . . . . 0.0 115.269 -178.329 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 64.61 32.99 86.02 Favored Glycine 0 CA--C 1.54 1.603 0 CA-C-N 118.543 1.171 . . . . 0.0 115.532 174.017 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 7.3 t 76.4 110.26 0.07 Allowed 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 127.966 2.507 . . . . 0.0 112.439 -175.016 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.94 -55.85 8.57 Favored 'General case' 0 CA--C 1.544 0.712 0 N-CA-C 114.353 1.242 . . . . 0.0 114.353 -167.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -75.26 -15.67 60.5 Favored 'General case' 0 N--CA 1.473 0.686 0 C-N-CA 123.194 0.598 . . . . 0.0 112.389 168.333 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 46.85 38.34 5.93 Favored 'General case' 0 CA--C 1.547 0.852 0 C-N-CA 125.822 1.649 . . . . 0.0 113.594 -174.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 42.01 73.9 0.12 Allowed 'General case' 0 CA--C 1.541 0.606 0 C-N-CA 126.484 1.914 . . . . 0.0 112.177 -165.327 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 21.3 m 51.42 41.77 28.63 Favored 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 126.084 1.753 . . . . 0.0 113.743 -174.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 45.83 60.24 3.26 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 126.344 1.857 . . . . 0.0 112.389 -172.634 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 62.8 86.28 0.12 Allowed 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 127.472 2.309 . . . . 0.0 113.073 -169.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 79.7 t80 -57.86 78.59 0.01 OUTLIER 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 128.377 2.671 . . . . 0.0 113.53 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 26.8 pt20 -161.78 171.72 17.35 Favored 'General case' 0 CA--C 1.541 0.627 0 C-N-CA 127.075 2.15 . . . . 0.0 110.108 174.132 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 7.1 tt0 -146.79 163.44 36.02 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 124.319 1.048 . . . . 0.0 109.716 166.018 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 63.99 176.17 0.18 Allowed 'General case' 0 N--CA 1.476 0.829 0 C-N-CA 125.52 1.528 . . . . 0.0 114.101 -172.47 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.262 0 C-N-CA 125.876 1.671 . . . . 0.0 111.843 -176.081 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.647 0 N-CA-C 111.72 -0.552 . . . . 0.0 111.72 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.4 m -148.98 156.85 42.86 Favored 'General case' 0 N--CA 1.479 0.977 0 C-N-CA 126.848 2.059 . . . . 0.0 110.308 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 6.0 mp0 56.06 31.86 18.92 Favored 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 125.402 1.481 . . . . 0.0 113.867 -169.752 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 6.5 pt20 -140.71 -43.59 0.4 Allowed 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 124.713 1.205 . . . . 0.0 113.822 178.565 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 2.9 mt-30 -77.65 -31.29 52.6 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.35 -0.843 . . . . 0.0 110.509 167.328 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 -55.18 -40.1 70.32 Favored 'General case' 0 C--O 1.222 -0.37 0 C-N-CA 124.662 1.185 . . . . 0.0 112.23 177.214 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.4 pp -60.34 -29.09 68.66 Favored 'General case' 0 N--CA 1.472 0.637 0 N-CA-C 113.87 1.063 . . . . 0.0 113.87 -177.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 3.3 t0 -70.91 -38.23 72.96 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.836 0.855 . . . . 0.0 111.261 177.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -77.44 -35.41 53.99 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.972 0.909 . . . . 0.0 111.934 171.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -63.62 -37.44 87.35 Favored 'General case' 0 N--CA 1.464 0.235 0 C-N-CA 125.367 1.467 . . . . 0.0 110.955 176.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -55.39 -49.01 73.44 Favored 'General case' 0 C--O 1.218 -0.558 0 CA-C-O 117.939 -1.029 . . . . 0.0 110.488 167.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 8.2 mt-30 -58.83 -39.12 80.28 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 121.198 1.817 . . . . 0.0 113.798 -178.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.541 HG21 HD13 ' A' ' 87' ' ' LEU . 15.7 m -79.07 -32.99 15.56 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.042 0 N-CA-C 113.791 1.034 . . . . 0.0 113.791 177.651 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 77.2 mt -65.58 -42.84 93.85 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.817 0 CA-C-N 119.708 1.14 . . . . 0.0 110.101 168.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.4 mp -56.92 -46.48 81.98 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 125.826 1.65 . . . . 0.0 110.936 171.702 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 38.0 m -58.5 -43.64 89.16 Favored 'General case' 0 N--CA 1.471 0.597 0 CA-C-N 119.1 0.864 . . . . 0.0 112.591 172.161 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -61.15 -51.89 67.14 Favored 'General case' 0 CA--C 1.541 0.619 0 CA-C-N 118.87 0.759 . . . . 0.0 111.733 177.069 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 25.6 m -70.99 -39.38 75.01 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.747 0 O-C-N 121.324 -0.86 . . . . 0.0 113.26 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -77.18 -10.91 59.71 Favored 'General case' 0 N--CA 1.474 0.767 0 O-C-N 121.513 -0.742 . . . . 0.0 112.833 178.569 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -60.58 -18.06 50.37 Favored 'General case' 0 N--CA 1.477 0.892 0 O-C-N 120.738 -1.226 . . . . 0.0 113.5 166.666 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 9.4 m-80 -94.63 14.85 19.7 Favored 'General case' 0 CA--C 1.555 1.162 0 C-N-CA 125.033 1.333 . . . . 0.0 112.896 169.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.351 7.9 p 74.15 24.71 1.9 Allowed 'General case' 0 N--CA 1.487 1.421 0 C-N-CA 130.051 3.34 . . . . 0.0 115.719 175.538 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -97.63 64.3 1.79 Allowed 'General case' 0 CA--C 1.55 0.948 0 N-CA-C 114.782 1.401 . . . . 0.0 114.782 -166.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.9 t -55.8 -37.69 68.96 Favored 'General case' 0 N--CA 1.484 1.255 0 N-CA-C 114.545 1.313 . . . . 0.0 114.545 -179.488 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 23.3 t -61.31 -29.97 70.21 Favored 'General case' 0 N--CA 1.476 0.874 0 O-C-N 121.032 -1.042 . . . . 0.0 112.615 176.523 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 9.2 ttmt -67.98 -21.88 65.04 Favored 'General case' 0 N--CA 1.469 0.511 0 N-CA-C 114.003 1.112 . . . . 0.0 114.003 -177.713 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 53.6 m -59.35 -27.19 65.7 Favored 'General case' 0 N--CA 1.472 0.628 0 N-CA-C 112.989 0.737 . . . . 0.0 112.989 169.498 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -65.45 -42.51 92.3 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 119.143 0.883 . . . . 0.0 111.846 171.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.7 ttm-85 -62.19 -37.93 87.18 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 123.779 0.832 . . . . 0.0 112.121 169.444 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -64.08 -17.81 63.77 Favored 'General case' 0 CA--C 1.55 0.957 0 CA-C-N 119.566 1.075 . . . . 0.0 113.771 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -69.24 -25.81 64.47 Favored 'General case' 0 CA--C 1.546 0.806 0 O-C-N 120.763 -1.211 . . . . 0.0 112.819 166.448 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -76.7 -29.31 56.22 Favored 'General case' 0 CA--C 1.544 0.714 0 O-C-N 121.098 -1.001 . . . . 0.0 112.468 169.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.65 -34.73 62.61 Favored 'General case' 0 N--CA 1.479 0.996 0 CA-C-N 119.768 1.167 . . . . 0.0 111.789 166.28 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -61.63 -22.75 65.53 Favored 'General case' 0 CA--C 1.538 0.511 0 N-CA-C 113.752 1.019 . . . . 0.0 113.752 173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -69.44 -31.6 70.03 Favored 'General case' 0 N--CA 1.48 1.043 0 CA-C-N 119.822 1.192 . . . . 0.0 112.644 175.601 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.36 -34.92 25.5 Favored 'General case' 0 CA--C 1.539 0.531 0 C-N-CA 123.52 0.728 . . . . 0.0 111.593 175.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.9 -22.87 67.07 Favored 'General case' 0 CA--C 1.543 0.675 0 N-CA-C 113.405 0.891 . . . . 0.0 113.405 167.19 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -65.25 -32.26 73.83 Favored 'General case' 0 CA--C 1.543 0.685 0 O-C-N 120.609 -1.307 . . . . 0.0 112.074 168.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 15.0 m -62.49 -34.17 76.32 Favored 'General case' 0 N--CA 1.47 0.571 0 O-C-N 121.211 -0.931 . . . . 0.0 111.785 169.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 40.5 m -61.7 -33.57 74.25 Favored 'General case' 0 N--CA 1.474 0.742 0 CA-C-N 119.155 0.889 . . . . 0.0 113.027 172.683 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -63.14 -38.85 92.82 Favored 'General case' 0 N--CA 1.474 0.735 0 CA-C-N 119.078 0.854 . . . . 0.0 111.608 174.846 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -78.0 -38.27 45.28 Favored 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 123.878 0.871 . . . . 0.0 112.394 176.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -65.26 -36.32 83.74 Favored 'General case' 0 CA--C 1.539 0.541 0 C-N-CA 124.378 1.071 . . . . 0.0 112.784 175.313 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.6 tt -54.24 -26.82 30.88 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.772 1.629 . . . . 0.0 114.111 176.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.12 -20.0 63.6 Favored 'General case' 0 CA--C 1.552 1.024 0 C-N-CA 124.517 1.127 . . . . 0.0 113.477 171.147 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 3.9 mp -119.7 96.2 4.16 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.609 0 C-N-CA 127.31 2.244 . . . . 0.0 109.416 -176.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 8.8 t -59.97 -20.93 60.28 Favored 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 113.894 1.072 . . . . 0.0 113.894 177.433 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 20.7 mm-40 -70.28 17.1 0.06 Allowed 'General case' 0 CA--C 1.554 1.109 0 C-N-CA 126.643 1.977 . . . . 0.0 114.772 174.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 93.0 p -71.79 14.97 0.16 Allowed 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 127.25 2.22 . . . . 0.0 115.425 174.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t 63.21 27.07 15.46 Favored 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 125.596 1.558 . . . . 0.0 113.493 -171.329 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 72.87 20.04 79.69 Favored Glycine 0 CA--C 1.537 1.436 0 C-N-CA 124.527 1.061 . . . . 0.0 115.087 176.032 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 16.4 m -144.27 112.99 6.66 Favored 'General case' 0 N--CA 1.47 0.535 0 C-N-CA 125.957 1.703 . . . . 0.0 109.895 -175.137 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.0 m -50.12 -55.78 13.59 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.078 0.951 . . . . 0.0 113.486 -176.235 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 8.0 m-85 -169.38 67.89 0.06 Allowed 'General case' 0 N--CA 1.471 0.582 0 C-N-CA 125.965 1.706 . . . . 0.0 109.459 170.379 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 mm-40 -55.96 -33.81 65.12 Favored 'General case' 0 N--CA 1.477 0.88 0 O-C-N 120.541 -1.35 . . . . 0.0 112.326 171.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 9.5 m -59.02 -48.86 80.05 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 123.424 0.69 . . . . 0.0 111.592 173.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 22.5 mt-30 -78.04 -36.3 48.68 Favored 'General case' 0 N--CA 1.469 0.481 0 CA-C-N 119.08 0.855 . . . . 0.0 112.903 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 3.7 mm -56.75 -50.43 74.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.774 0 CA-C-N 120.254 1.388 . . . . 0.0 110.604 170.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 23.2 t -65.39 -48.83 71.52 Favored 'General case' 0 N--CA 1.465 0.302 0 C-N-CA 123.0 0.52 . . . . 0.0 111.681 178.353 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.18 -51.62 68.8 Favored 'General case' 0 CA--C 1.533 0.321 0 C-N-CA 123.365 0.666 . . . . 0.0 112.4 179.373 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -61.86 -43.92 97.87 Favored 'General case' 0 N--CA 1.463 0.223 0 CA-C-O 117.454 -1.26 . . . . 0.0 110.838 178.238 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 98.8 m -53.46 -42.75 67.5 Favored 'General case' 0 N--CA 1.482 1.127 0 CA-C-N 119.552 1.069 . . . . 0.0 111.746 172.491 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -70.34 -32.28 69.93 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.755 1.02 . . . . 0.0 113.755 175.149 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -65.56 -32.09 56.66 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.578 0 C-N-CA 124.498 1.119 . . . . 0.0 111.106 171.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.4 mt -62.43 -42.98 99.85 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.249 -0.907 . . . . 0.0 110.299 169.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -54.84 -52.34 63.06 Favored 'General case' 0 N--CA 1.471 0.621 0 O-C-N 120.275 -1.515 . . . . 0.0 111.398 173.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.23 -13.92 22.02 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 115.095 1.517 . . . . 0.0 115.095 176.565 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 10.9 t -76.96 -39.63 49.89 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 123.989 0.916 . . . . 0.0 112.787 173.226 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -73.13 -34.09 65.91 Favored 'General case' 0 N--CA 1.47 0.563 0 O-C-N 121.91 -0.494 . . . . 0.0 111.785 173.577 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 21.1 t 65.95 165.55 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.482 1.14 0 C-N-CA 126.018 1.727 . . . . 0.0 111.175 -173.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.529 HG22 ' H ' ' A' ' 72' ' ' THR . 10.1 m 64.74 -176.68 0.17 Allowed 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 125.012 1.325 . . . . 0.0 111.1 -175.027 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.529 ' H ' HG22 ' A' ' 71' ' ' THR . 3.7 t 25.99 -91.2 0.0 OUTLIER 'General case' 0 N--CA 1.485 1.313 0 C-N-CA 128.492 2.717 . . . . 0.0 115.356 169.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.529 ' H ' HG23 ' A' ' 72' ' ' THR . 27.0 p -75.96 95.34 3.54 Favored 'General case' 0 CA--C 1.536 0.404 0 C-N-CA 125.964 1.705 . . . . 0.0 111.147 169.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -141.95 -147.58 4.87 Favored Glycine 0 CA--C 1.532 1.115 0 C-N-CA 126.038 1.78 . . . . 0.0 111.16 -179.066 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.0 t -71.38 45.32 0.1 Allowed 'General case' 0 CA--C 1.553 1.059 0 C-N-CA 125.615 1.566 . . . . 0.0 114.089 177.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -140.17 35.19 1.91 Allowed 'General case' 0 CA--C 1.552 1.02 0 C-N-CA 126.136 1.774 . . . . 0.0 112.212 -170.585 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 48.04 68.12 3.82 Favored Pre-proline 0 CA--C 1.554 1.123 0 C-N-CA 125.861 1.664 . . . . 0.0 112.991 -177.463 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -68.14 175.52 6.55 Favored 'Trans proline' 0 N--CA 1.46 -0.499 0 C-N-CA 123.373 2.715 . . . . 0.0 112.929 -177.426 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -51.96 -22.12 3.65 Favored 'General case' 0 C--O 1.217 -0.605 0 CA-C-O 117.74 -1.124 . . . . 0.0 113.69 169.169 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.8 OUTLIER -77.29 -49.13 15.68 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 121.417 1.917 . . . . 0.0 112.079 179.101 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 6.0 t -65.1 -35.75 76.17 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 123.645 0.778 . . . . 0.0 111.02 172.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.9 t -69.88 -39.79 76.09 Favored 'General case' 0 N--CA 1.469 0.517 0 O-C-N 121.432 -0.793 . . . . 0.0 112.466 172.05 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -58.82 -47.62 84.15 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-O 116.821 -1.562 . . . . 0.0 110.72 174.519 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . 0.25 27.0 m -58.86 -26.57 32.69 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.971 0 CA-C-N 121.228 1.831 . . . . 0.0 113.745 178.683 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 54.4 mm-40 -65.1 -44.27 89.39 Favored 'General case' 0 N--CA 1.475 0.818 0 CA-C-N 121.177 1.808 . . . . 0.0 112.753 173.395 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 9.0 t -81.66 -38.53 25.75 Favored 'General case' 0 N--CA 1.478 0.974 0 O-C-N 121.656 -0.652 . . . . 0.0 112.378 177.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.541 HD13 HG21 ' A' ' 13' ' ' VAL . 0.1 OUTLIER -64.47 -45.51 87.05 Favored 'General case' 0 C--O 1.219 -0.533 0 CA-C-O 117.239 -1.362 . . . . 0.0 111.193 177.129 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 6.5 mm -60.76 -37.9 77.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 CA-C-N 121.044 1.747 . . . . 0.0 110.294 178.1 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -61.96 -53.52 54.57 Favored 'General case' 0 CA--C 1.545 0.75 0 CA-C-N 118.843 0.747 . . . . 0.0 112.056 172.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 99.9 t -65.2 -30.86 51.56 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.014 0 O-C-N 121.417 -0.802 . . . . 0.0 112.569 178.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -70.88 -47.86 56.92 Favored 'General case' 0 N--CA 1.471 0.586 0 C-N-CA 127.091 2.156 . . . . 0.0 111.351 175.397 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 40.7 m -59.62 -40.87 89.0 Favored 'General case' 0 N--CA 1.469 0.494 0 O-C-N 121.253 -0.905 . . . . 0.0 111.426 172.119 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 29.3 mt-30 -68.96 -40.44 78.89 Favored 'General case' 0 CA--C 1.536 0.442 0 CA-C-O 118.081 -0.961 . . . . 0.0 113.336 173.3 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 60.3 p -66.1 -33.64 76.25 Favored 'General case' 0 N--CA 1.474 0.762 0 CA-C-N 120.849 1.659 . . . . 0.0 112.146 178.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.8 m -59.65 -55.85 29.24 Favored 'General case' 0 N--CA 1.467 0.411 0 C-N-CA 123.519 0.728 . . . . 0.0 111.66 167.061 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 73.3 m -61.48 -32.2 72.2 Favored 'General case' 0 N--CA 1.479 1.005 0 CA-C-N 119.833 1.197 . . . . 0.0 113.915 178.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 26.0 t-20 -68.1 -43.73 77.81 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 125.5 1.52 . . . . 0.0 111.563 174.211 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -73.42 -25.67 60.63 Favored 'General case' 0 CA--C 1.548 0.876 0 N-CA-C 114.217 1.191 . . . . 0.0 114.217 175.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 7.8 mm -64.29 -14.62 15.92 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.076 0 C-N-CA 126.188 1.795 . . . . 0.0 112.193 167.446 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 15.1 m 82.28 32.97 0.09 Allowed 'General case' 0 N--CA 1.48 1.045 0 C-N-CA 127.476 2.31 . . . . 0.0 113.167 176.365 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -147.57 29.48 1.45 Allowed Glycine 0 CA--C 1.536 1.356 0 N-CA-C 116.0 1.16 . . . . 0.0 116.0 -173.38 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -149.97 95.84 2.36 Favored 'General case' 0 CA--C 1.543 0.693 0 CA-C-N 118.543 1.172 . . . . 0.0 112.274 174.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.2 m -57.8 116.2 3.3 Favored 'General case' 0 N--CA 1.476 0.849 0 C-N-CA 124.356 1.062 . . . . 0.0 110.162 170.366 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -62.86 150.18 48.68 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 123.408 0.528 . . . . 0.0 113.083 -179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -123.34 163.07 16.99 Favored Glycine 0 CA--C 1.532 1.148 0 C-N-CA 124.984 1.278 . . . . 0.0 112.911 -179.266 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER 58.54 15.74 3.8 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.507 1.523 . . . . 0.0 115.016 -173.69 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . 52.22 178.14 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.111 0 C-N-CA 126.558 1.943 . . . . 0.0 114.156 -162.657 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 52.2 m-85 60.56 -18.02 0.03 OUTLIER 'General case' 0 N--CA 1.484 1.267 0 C-N-CA 127.417 2.287 . . . . 0.0 116.62 -174.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -70.02 35.94 0.04 OUTLIER 'General case' 0 CA--C 1.554 1.119 0 C-N-CA 128.17 2.588 . . . . 0.0 115.17 179.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 45.0 tt0 -143.12 -60.03 0.42 Allowed 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 126.232 1.813 . . . . 0.0 109.383 175.07 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 32.1 p -68.59 -6.02 23.28 Favored 'General case' 0 N--CA 1.472 0.674 0 N-CA-C 115.414 1.635 . . . . 0.0 115.414 -179.183 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 -58.01 -47.98 81.41 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 124.296 1.039 . . . . 0.0 113.429 173.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -161.34 27.6 0.13 Allowed 'General case' 0 CA--C 1.553 1.076 0 N-CA-C 114.703 1.371 . . . . 0.0 114.703 -176.533 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 65.1 t80 -60.36 91.47 0.02 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 O-C-N 120.714 -1.241 . . . . 0.0 113.099 175.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -162.92 133.99 4.86 Favored 'General case' 0 CA--C 1.546 0.791 0 C-N-CA 127.013 2.125 . . . . 0.0 108.664 168.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 5.4 tm0? -149.01 92.66 2.0 Allowed 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 123.795 0.838 . . . . 0.0 110.891 175.177 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 39.1 m -151.49 99.55 2.63 Favored 'General case' 0 N--CA 1.474 0.768 0 C-N-CA 125.903 1.681 . . . . 0.0 110.629 178.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.273 0 C-N-CA 125.387 1.475 . . . . 0.0 111.487 174.895 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.48 1.582 0 N-CA-C 111.576 -0.61 . . . . 0.0 111.576 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.6 m -123.99 178.14 5.44 Favored 'General case' 0 N--CA 1.478 0.973 0 C-N-CA 125.678 1.591 . . . . 0.0 111.53 -175.563 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 54.85 33.49 19.97 Favored 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 124.69 1.196 . . . . 0.0 113.427 -169.019 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -145.41 -54.33 0.29 Allowed 'General case' 0 N--CA 1.471 0.592 0 C-N-CA 124.071 0.949 . . . . 0.0 112.801 177.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 6.3 tp60 -66.62 -35.02 79.18 Favored 'General case' 0 N--CA 1.472 0.653 0 CA-C-N 119.509 1.05 . . . . 0.0 110.447 172.659 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 26.4 m-20 -65.27 -23.6 67.08 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-O 117.508 -1.235 . . . . 0.0 113.108 173.438 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.26 -37.2 74.48 Favored 'General case' 0 N--CA 1.478 0.93 0 CA-C-N 121.285 1.857 . . . . 0.0 111.525 -179.557 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -75.36 -42.47 54.04 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.87 0.868 . . . . 0.0 112.084 -176.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 80.6 m-20 -64.59 -47.42 78.72 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 123.278 0.631 . . . . 0.0 110.791 171.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.4 tp -65.71 -34.89 79.25 Favored 'General case' 0 C--O 1.225 -0.225 0 C-N-CA 124.165 0.986 . . . . 0.0 112.1 -178.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -57.86 -54.81 42.71 Favored 'General case' 0 CA--C 1.534 0.353 0 CA-C-N 119.367 0.985 . . . . 0.0 110.377 169.225 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.4 -39.97 85.09 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.074 -1.016 . . . . 0.0 112.411 177.482 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -70.19 -39.95 77.55 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.797 0 C-N-CA 124.597 1.159 . . . . 0.0 112.92 -179.035 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 43.8 mt -71.66 -38.33 66.36 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.289 0 CA-C-O 118.391 -0.814 . . . . 0.0 109.8 174.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.544 HD21 ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -59.79 -32.23 70.43 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.668 1.122 . . . . 0.0 111.705 175.169 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 47.0 m -59.45 -15.65 18.67 Favored 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 114.605 1.335 . . . . 0.0 114.605 169.614 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -112.28 -58.14 2.18 Favored 'General case' 0 CA--C 1.547 0.846 0 C-N-CA 126.429 1.892 . . . . 0.0 110.575 178.712 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.43 HG13 ' HD2' ' A' ' 26' ' ' LYS . 3.5 t -46.71 -41.03 4.9 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.004 0 C-N-CA 128.424 2.689 . . . . 0.0 112.91 171.632 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 2.5 m -104.58 4.9 33.36 Favored 'General case' 0 N--CA 1.479 0.981 0 C-N-CA 125.332 1.453 . . . . 0.0 112.438 178.572 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 1.5 t -60.78 -27.49 68.03 Favored 'General case' 0 N--CA 1.483 1.204 0 O-C-N 120.039 -1.663 . . . . 0.0 112.816 173.059 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 10.0 m-80 -83.2 7.55 15.84 Favored 'General case' 0 CA--C 1.554 1.118 0 C-N-CA 125.606 1.562 . . . . 0.0 113.465 173.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.348 5.9 p 77.3 23.62 0.88 Allowed 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 129.755 3.222 . . . . 0.0 115.791 174.377 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 80.2 m-20 -89.95 87.18 6.82 Favored 'General case' 0 CA--C 1.543 0.704 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -169.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 47.5 m -52.51 -32.74 41.79 Favored 'General case' 0 N--CA 1.482 1.148 0 O-C-N 121.102 -0.999 . . . . 0.0 113.475 173.124 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 20.8 m -70.77 -22.99 62.32 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.767 -1.208 . . . . 0.0 114.032 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.43 ' HD2' HG13 ' A' ' 18' ' ' VAL . 18.7 mttp -71.06 -21.13 62.28 Favored 'General case' 0 N--CA 1.477 0.914 0 O-C-N 120.615 -1.303 . . . . 0.0 113.466 171.65 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.99 -28.32 62.31 Favored 'General case' 0 N--CA 1.476 0.827 0 CA-C-N 119.183 0.901 . . . . 0.0 112.828 171.048 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.85 -37.51 81.97 Favored 'General case' 0 CA--C 1.543 0.698 0 O-C-N 121.272 -0.893 . . . . 0.0 113.014 172.422 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -68.61 -19.91 64.47 Favored 'General case' 0 N--CA 1.474 0.771 0 C-N-CA 123.811 0.844 . . . . 0.0 113.003 178.121 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' HD21 ' A' ' 15' ' ' LEU . . . -53.36 -34.66 58.47 Favored 'General case' 0 CA--C 1.545 0.78 0 CA-C-N 119.36 0.982 . . . . 0.0 113.113 170.043 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 28.6 mt-30 -72.64 -23.08 60.86 Favored 'General case' 0 CA--C 1.541 0.613 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 174.201 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -70.5 -31.11 68.09 Favored 'General case' 0 CA--C 1.541 0.596 0 O-C-N 120.995 -1.065 . . . . 0.0 111.572 168.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.22 -38.01 78.89 Favored 'General case' 0 N--CA 1.472 0.648 0 O-C-N 121.1 -1.0 . . . . 0.0 111.345 169.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 12.8 m -59.68 -22.52 62.06 Favored 'General case' 0 N--CA 1.47 0.55 0 N-CA-C 113.566 0.951 . . . . 0.0 113.566 172.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -67.11 -38.5 85.74 Favored 'General case' 0 N--CA 1.479 0.985 0 CA-C-N 119.96 1.255 . . . . 0.0 111.818 172.345 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -69.16 -49.6 55.34 Favored 'General case' 0 C--O 1.224 -0.278 0 CA-C-O 118.603 -0.713 . . . . 0.0 110.691 171.59 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -62.06 -33.45 74.42 Favored 'General case' 0 N--CA 1.472 0.669 0 CA-C-N 119.121 0.873 . . . . 0.0 112.915 -178.265 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -62.0 -43.71 98.27 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 119.15 0.886 . . . . 0.0 112.226 169.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 1.9 t -65.79 -41.06 92.44 Favored 'General case' 0 N--CA 1.468 0.462 0 C-N-CA 123.39 0.676 . . . . 0.0 111.753 172.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 29.6 m -61.21 -36.79 80.85 Favored 'General case' 0 N--CA 1.471 0.595 0 C-N-CA 125.448 1.499 . . . . 0.0 112.883 175.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -56.3 -44.34 79.79 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 124.79 1.236 . . . . 0.0 111.314 170.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -77.42 -31.67 54.17 Favored 'General case' 0 CA--C 1.545 0.785 0 N-CA-C 113.046 0.758 . . . . 0.0 113.046 176.398 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 90.6 m-20 -78.69 -19.52 52.28 Favored 'General case' 0 CA--C 1.544 0.74 0 C-N-CA 124.695 1.198 . . . . 0.0 113.243 177.651 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 4.5 tp -65.6 -35.16 80.01 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 125.227 1.411 . . . . 0.0 111.296 168.041 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 41.3 tp -63.41 -24.54 67.88 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.156 1.382 . . . . 0.0 113.999 -175.68 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 1.7 mp -131.14 120.14 46.09 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.755 0 C-N-CA 125.675 1.59 . . . . 0.0 108.013 179.753 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 52.1 m -54.59 -54.98 34.16 Favored 'General case' 0 N--CA 1.474 0.767 0 N-CA-C 114.015 1.117 . . . . 0.0 114.015 -167.552 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 28.7 mt-10 50.34 -38.56 0.01 OUTLIER 'General case' 0 N--CA 1.489 1.494 0 C-N-CA 130.579 3.552 . . . . 0.0 118.439 -177.279 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.2 t -152.24 68.59 0.87 Allowed 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 129.515 3.126 . . . . 0.0 108.343 178.087 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 65.8 m 51.02 22.6 1.25 Allowed 'General case' 0 N--CA 1.482 1.136 0 C-N-CA 126.832 2.053 . . . . 0.0 115.924 -174.085 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.35 19.68 72.71 Favored Glycine 0 CA--C 1.535 1.296 0 C-N-CA 124.911 1.243 . . . . 0.0 114.405 -178.203 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 6.4 t -149.47 63.16 1.02 Allowed 'General case' 0 N--CA 1.472 0.641 0 CA-C-N 118.631 1.215 . . . . 0.0 112.814 -168.047 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 32.2 p -118.97 8.49 11.65 Favored 'General case' 0 N--CA 1.48 1.038 0 C-N-CA 125.862 1.665 . . . . 0.0 113.961 -178.532 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 46.7 p90 -79.7 -11.41 59.85 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 125.591 1.556 . . . . 0.0 113.965 176.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 39.3 tt0 -62.44 -34.31 76.52 Favored 'General case' 0 CA--C 1.543 0.707 0 O-C-N 120.305 -1.497 . . . . 0.0 112.592 -176.071 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 6.0 m -64.78 -35.46 81.17 Favored 'General case' 0 N--CA 1.476 0.848 0 C-N-CA 123.672 0.789 . . . . 0.0 111.889 168.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -65.39 -38.93 91.47 Favored 'General case' 0 N--CA 1.471 0.578 0 CA-C-N 119.145 0.884 . . . . 0.0 111.448 172.563 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 20.4 mm -64.81 -43.54 96.41 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 CA-C-N 120.552 1.524 . . . . 0.0 111.131 175.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 22.7 t -62.26 -45.78 91.76 Favored 'General case' 0 N--CA 1.472 0.675 0 CA-C-N 118.534 0.606 . . . . 0.0 111.952 175.314 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.45 -54.0 51.64 Favored 'General case' 0 CA--C 1.534 0.359 0 C-N-CA 123.669 0.788 . . . . 0.0 111.424 174.568 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -64.25 -47.43 79.64 Favored 'General case' 0 C--O 1.219 -0.552 0 CA-C-O 117.417 -1.278 . . . . 0.0 111.92 -179.174 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.8 t -60.42 -30.57 69.7 Favored 'General case' 0 N--CA 1.481 1.095 0 CA-C-N 122.134 2.243 . . . . 0.0 112.573 177.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -69.02 -50.88 44.82 Favored 'General case' 0 CA--C 1.544 0.717 0 O-C-N 121.09 -1.006 . . . . 0.0 112.353 167.532 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 3.6 mm -65.43 -33.37 63.23 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.908 0 CA-C-N 120.11 1.323 . . . . 0.0 112.45 -178.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 1.3 mp -52.8 -39.42 62.35 Favored 'General case' 0 CA--C 1.538 0.489 0 C-N-CA 125.627 1.571 . . . . 0.0 111.539 172.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 9.5 m -83.41 -44.96 14.22 Favored 'General case' 0 N--CA 1.465 0.317 0 C-N-CA 124.211 1.004 . . . . 0.0 112.834 174.05 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.9 t70 -65.21 -14.61 61.06 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 124.407 1.083 . . . . 0.0 113.541 -179.359 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 8.0 t -66.57 -27.03 67.41 Favored 'General case' 0 CA--C 1.549 0.926 0 C-N-CA 124.72 1.208 . . . . 0.0 112.678 168.103 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -80.82 -34.82 33.65 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.486 1.114 . . . . 0.0 112.205 175.514 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 4.0 t 57.07 37.22 0.23 Allowed 'Isoleucine or valine' 0 N--CA 1.488 1.433 0 C-N-CA 125.918 1.687 . . . . 0.0 112.645 -177.178 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 87.3 m -140.35 94.31 2.73 Favored 'General case' 0 N--CA 1.483 1.182 0 O-C-N 120.79 -1.194 . . . . 0.0 111.181 -177.674 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 31.4 m 65.28 -54.86 0.33 Allowed 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.777 2.831 . . . . 0.0 114.354 176.185 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 68.5 p -70.35 98.72 1.45 Allowed 'General case' 0 CA--C 1.534 0.338 0 C-N-CA 127.068 2.147 . . . . 0.0 110.339 173.373 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 154.46 -83.9 0.15 Allowed Glycine 0 CA--C 1.524 0.645 0 C-N-CA 125.353 1.454 . . . . 0.0 110.082 176.583 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.3 t 45.16 29.56 0.53 Allowed 'General case' 0 N--CA 1.48 1.043 0 C-N-CA 126.536 1.935 . . . . 0.0 114.909 176.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 29.4 t30 49.65 114.59 0.0 OUTLIER 'General case' 0 CA--C 1.55 0.97 0 C-N-CA 127.631 2.372 . . . . 0.0 114.302 -155.65 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 61.06 78.6 0.31 Allowed Pre-proline 0 CA--C 1.557 1.225 0 C-N-CA 125.672 1.589 . . . . 0.0 112.363 -179.392 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_endo -68.92 178.27 4.21 Favored 'Trans proline' 0 C--N 1.353 0.786 0 C-N-CA 123.627 2.884 . . . . 0.0 112.805 -178.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -47.49 -37.01 11.07 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.611 -0.68 . . . . 0.0 112.16 168.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.402 ' CE2' ' HA ' ' A' ' 18' ' ' VAL . 0.2 OUTLIER -68.09 -26.8 66.01 Favored 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 124.289 1.035 . . . . 0.0 113.082 -178.61 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 1.4 t -66.24 -45.99 88.5 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.988 0 CA-C-N 119.434 1.015 . . . . 0.0 110.386 167.077 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -63.81 -40.73 97.34 Favored 'General case' 0 N--CA 1.471 0.58 0 C-N-CA 122.847 0.459 . . . . 0.0 111.501 179.652 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -57.74 -57.21 13.76 Favored 'General case' 0 N--CA 1.469 0.511 0 C-N-CA 125.436 1.495 . . . . 0.0 109.975 168.71 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 2.6 t -53.4 -39.27 35.29 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.156 0 C-N-CA 125.123 1.369 . . . . 0.0 113.91 178.231 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.04 -39.22 85.19 Favored 'General case' 0 CA--C 1.542 0.642 0 CA-C-N 120.015 1.28 . . . . 0.0 111.955 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 67.3 m -82.69 -40.38 20.71 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 124.285 1.034 . . . . 0.0 112.026 174.234 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.58 -29.57 68.96 Favored 'General case' 0 N--CA 1.466 0.374 0 O-C-N 120.847 -1.158 . . . . 0.0 113.538 179.755 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 7.0 mm -66.88 -41.84 88.2 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.795 0 CA-C-N 120.482 1.492 . . . . 0.0 110.997 168.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -64.24 -45.96 85.86 Favored 'General case' 0 CA--C 1.54 0.578 0 CA-C-N 118.378 0.535 . . . . 0.0 111.566 173.726 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 94.7 t -65.71 -33.84 66.33 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.701 0 O-C-N 121.11 -0.994 . . . . 0.0 111.7 175.546 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -63.89 -53.12 55.42 Favored 'General case' 0 N--CA 1.473 0.68 0 CA-C-N 120.281 1.4 . . . . 0.0 111.457 172.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 95.9 p -65.5 -39.14 91.52 Favored 'General case' 0 N--CA 1.47 0.533 0 CA-C-N 118.695 0.68 . . . . 0.0 112.055 179.055 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 6.6 mt-30 -66.14 -37.91 86.84 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-O 117.565 -1.207 . . . . 0.0 112.873 171.496 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.9 m -60.6 -41.99 95.88 Favored 'General case' 0 N--CA 1.474 0.773 0 CA-C-N 121.346 1.884 . . . . 0.0 111.9 174.183 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 67.2 m -61.55 -48.29 81.66 Favored 'General case' 0 N--CA 1.47 0.545 0 CA-C-N 118.608 0.64 . . . . 0.0 111.88 172.244 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 58.3 m -63.76 -33.04 74.78 Favored 'General case' 0 N--CA 1.476 0.833 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 175.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 12.8 t-20 -74.83 -26.13 59.49 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.65 1.18 . . . . 0.0 111.24 175.158 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -74.76 -27.16 60.23 Favored 'General case' 0 CA--C 1.547 0.864 0 O-C-N 120.415 -1.428 . . . . 0.0 113.503 169.294 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 96.0 mt -60.17 -45.2 96.24 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.105 0 CA-C-N 119.414 1.006 . . . . 0.0 110.627 172.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 37.0 m -150.02 87.77 1.49 Allowed 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.389 1.476 . . . . 0.0 111.604 176.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 164.27 -41.1 0.31 Allowed Glycine 0 CA--C 1.538 1.526 0 N-CA-C 115.565 0.986 . . . . 0.0 115.565 176.01 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 53.77 97.93 0.01 OUTLIER 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 128.081 2.552 . . . . 0.0 115.689 178.655 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 56.5 p -119.15 -34.15 3.95 Favored 'General case' 0 N--CA 1.483 1.198 0 N-CA-C 115.286 1.587 . . . . 0.0 115.286 -173.256 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 88.57 90.36 1.13 Allowed Glycine 0 CA--C 1.536 1.346 0 C-N-CA 124.478 1.037 . . . . 0.0 112.986 -179.249 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -60.55 -57.91 16.58 Favored Glycine 0 CA--C 1.538 1.485 0 C-N-CA 124.445 1.021 . . . . 0.0 115.148 -173.43 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 167.74 62.4 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.505 0 C-N-CA 128.783 2.833 . . . . 0.0 111.624 176.553 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -71.31 27.89 0.04 OUTLIER 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 125.44 1.496 . . . . 0.0 114.852 179.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 26.0 m-85 -72.23 -15.46 61.93 Favored 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 125.532 1.533 . . . . 0.0 115.067 -179.487 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 44.02 50.1 7.3 Favored 'General case' 0 CA--C 1.551 0.998 0 C-N-CA 125.597 1.559 . . . . 0.0 114.122 -178.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . 0.261 25.2 pt20 46.22 46.78 13.39 Favored 'General case' 0 CA--C 1.549 0.915 0 C-N-CA 126.581 1.952 . . . . 0.0 114.575 -173.703 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t 70.32 47.49 0.53 Allowed 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 126.194 1.798 . . . . 0.0 112.175 -173.771 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 10.7 mp0 46.03 51.79 10.58 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 127.135 2.174 . . . . 0.0 113.984 -175.751 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -138.47 41.36 2.21 Favored 'General case' 0 CA--C 1.549 0.925 0 C-N-CA 125.584 1.554 . . . . 0.0 112.843 -174.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 35.3 t80 -98.23 102.13 13.78 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 124.759 1.224 . . . . 0.0 111.734 174.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 18.0 tt0 -164.75 128.16 2.4 Favored 'General case' 0 CA--C 1.547 0.831 0 C-N-CA 125.325 1.45 . . . . 0.0 110.167 162.848 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 9.6 tm0? -160.29 -52.17 0.05 Allowed 'General case' 0 N--CA 1.481 1.085 0 CA-C-N 118.738 0.699 . . . . 0.0 112.123 170.316 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.9 m -152.48 136.03 16.05 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.909 2.084 . . . . 0.0 109.907 173.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.287 0 C-N-CA 125.755 1.622 . . . . 0.0 112.36 -178.249 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.484 1.888 0 N-CA-C 110.858 -0.897 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.6 m -56.38 -25.64 50.36 Favored 'General case' 0 N--CA 1.481 1.115 0 CA-C-N 118.784 1.292 . . . . 0.0 114.043 -178.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 83.1 mt-10 -55.07 -21.3 12.08 Favored 'General case' 0 CA--C 1.543 0.683 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 171.365 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -59.5 -26.32 65.19 Favored 'General case' 0 N--CA 1.472 0.667 0 N-CA-C 114.367 1.247 . . . . 0.0 114.367 174.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 33.2 mt-30 -99.12 -33.75 10.66 Favored 'General case' 0 N--CA 1.469 0.488 0 C-N-CA 123.596 0.758 . . . . 0.0 111.014 171.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.432 ' HB3' HD11 ' A' ' 91' ' ' LEU . 59.3 m-20 -57.63 -41.23 80.92 Favored 'General case' 0 C--O 1.221 -0.429 0 CA-C-O 118.52 -0.753 . . . . 0.0 111.817 177.793 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 4.4 pp -55.01 -30.12 58.82 Favored 'General case' 0 N--CA 1.474 0.746 0 CA-C-N 119.919 1.236 . . . . 0.0 114.145 176.608 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -84.1 -33.89 24.25 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.738 0.815 . . . . 0.0 111.146 -177.66 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 76.2 m-20 -68.5 -38.34 80.86 Favored 'General case' 0 N--CA 1.469 0.495 0 C-N-CA 124.438 1.095 . . . . 0.0 111.23 166.439 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.596 ' HA ' HG22 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -60.99 -41.15 95.91 Favored 'General case' 0 C--O 1.221 -0.403 0 C-N-CA 123.666 0.787 . . . . 0.0 110.667 172.106 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.03 1.76 0.4 Allowed 'General case' 0 CA--C 1.555 1.152 0 N-CA-C 115.094 1.516 . . . . 0.0 115.094 169.207 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -108.44 -46.86 3.61 Favored 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 120.464 1.484 . . . . 0.0 111.963 168.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.596 HG22 ' HA ' ' A' ' 10' ' ' LEU . 11.7 m -68.54 -37.95 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.171 0 O-C-N 121.309 -0.869 . . . . 0.0 111.953 176.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 92.4 mt -64.42 -47.86 87.65 Favored 'Isoleucine or valine' 0 C--O 1.216 -0.694 0 CA-C-O 117.17 -1.395 . . . . 0.0 108.03 172.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -53.14 -47.44 68.72 Favored 'General case' 0 N--CA 1.473 0.713 0 CA-C-N 120.619 1.554 . . . . 0.0 111.451 174.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 24.9 t -57.05 -40.99 77.85 Favored 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.655 0.782 . . . . 0.0 112.652 172.186 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -72.24 -53.29 12.97 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.946 1.298 . . . . 0.0 113.885 178.086 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 19.6 m -69.75 -24.69 27.16 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.674 0 C-N-CA 125.658 1.583 . . . . 0.0 112.761 -178.144 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.0 m -99.94 -5.8 27.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 124.786 1.234 . . . . 0.0 111.951 174.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.16 -26.02 59.88 Favored 'General case' 0 N--CA 1.484 1.252 0 O-C-N 120.5 -1.375 . . . . 0.0 113.233 171.725 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 1.8 p30 -94.87 19.83 9.66 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 127.394 2.278 . . . . 0.0 112.757 176.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . 0.277 4.0 p 66.5 8.88 6.1 Favored 'General case' 0 N--CA 1.483 1.204 0 C-N-CA 128.781 2.832 . . . . 0.0 116.02 173.52 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 60.0 m-20 -79.36 95.82 5.83 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 124.968 1.307 . . . . 0.0 112.292 -177.511 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 12.1 t -57.35 -32.29 66.6 Favored 'General case' 0 N--CA 1.481 1.118 0 O-C-N 120.873 -1.142 . . . . 0.0 112.745 170.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 8.2 t -69.41 -20.08 63.8 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 120.937 -1.102 . . . . 0.0 113.384 176.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -65.91 -23.76 66.69 Favored 'General case' 0 N--CA 1.479 1.021 0 O-C-N 119.76 -1.837 . . . . 0.0 112.999 172.425 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.47 -31.69 71.66 Favored 'General case' 0 N--CA 1.478 0.971 0 CA-C-N 118.902 0.773 . . . . 0.0 112.831 167.238 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -67.0 -31.16 71.53 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.398 -0.814 . . . . 0.0 112.036 174.138 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -70.66 -30.18 66.72 Favored 'General case' 0 N--CA 1.471 0.614 0 CA-C-O 117.942 -1.028 . . . . 0.0 113.041 174.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.52 -26.76 22.32 Favored 'General case' 0 CA--C 1.549 0.916 0 CA-C-N 120.049 1.295 . . . . 0.0 113.864 176.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -63.79 -28.97 70.23 Favored 'General case' 0 CA--C 1.546 0.792 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 171.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -68.73 -28.99 67.32 Favored 'General case' 0 CA--C 1.538 0.493 0 C-N-CA 124.279 1.032 . . . . 0.0 111.859 174.48 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -60.16 -35.15 74.68 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 120.953 -1.092 . . . . 0.0 110.484 168.562 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 4.8 m -66.24 -13.5 60.46 Favored 'General case' 0 N--CA 1.478 0.954 0 O-C-N 120.364 -1.46 . . . . 0.0 114.394 169.802 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -72.39 -29.45 63.76 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 120.538 -1.351 . . . . 0.0 111.935 168.746 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -62.54 -43.74 98.08 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.637 -0.664 . . . . 0.0 110.3 170.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -56.9 -31.74 65.19 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 125.136 1.375 . . . . 0.0 112.845 178.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -64.57 -35.96 82.67 Favored 'General case' 0 CA--C 1.545 0.786 0 CA-C-N 118.68 0.673 . . . . 0.0 112.723 172.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 7.7 t -72.08 -41.53 67.23 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 123.378 0.671 . . . . 0.0 111.35 169.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 28.1 t -57.68 -36.31 71.77 Favored 'General case' 0 N--CA 1.475 0.824 0 C-N-CA 123.738 0.815 . . . . 0.0 113.164 175.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -49.96 -44.05 50.43 Favored 'General case' 0 CA--C 1.548 0.881 0 C-N-CA 125.034 1.334 . . . . 0.0 112.179 171.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.21 -34.04 29.1 Favored 'General case' 0 CA--C 1.543 0.694 0 C-N-CA 123.657 0.783 . . . . 0.0 112.484 175.556 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -63.39 -27.65 69.45 Favored 'General case' 0 CA--C 1.546 0.807 0 O-C-N 121.2 -0.938 . . . . 0.0 112.991 175.692 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 5.1 tt -67.87 -31.64 71.6 Favored 'General case' 0 CA--C 1.545 0.787 0 C-N-CA 126.395 1.878 . . . . 0.0 112.92 176.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 29.0 tp -65.41 -42.47 92.49 Favored 'General case' 0 N--CA 1.475 0.809 0 C-N-CA 123.954 0.902 . . . . 0.0 111.271 170.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 32.6 mt -75.98 168.81 1.88 Allowed 'Isoleucine or valine' 0 CA--C 1.552 1.022 0 C-N-CA 126.403 1.881 . . . . 0.0 109.133 176.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 50.0 m -64.24 117.32 7.02 Favored 'General case' 0 N--CA 1.472 0.668 0 O-C-N 119.989 -1.695 . . . . 0.0 111.055 167.405 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -70.15 9.25 0.6 Allowed 'General case' 0 N--CA 1.479 1.01 0 N-CA-C 114.126 1.158 . . . . 0.0 114.126 174.378 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 2.8 t 57.93 54.57 5.97 Favored 'General case' 0 CA--C 1.544 0.738 0 O-C-N 120.518 -1.363 . . . . 0.0 112.901 177.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 t 66.73 28.4 9.02 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.861 1.664 . . . . 0.0 114.168 -177.088 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.26 28.54 17.11 Favored Glycine 0 CA--C 1.533 1.2 0 O-C-N 121.223 -0.923 . . . . 0.0 114.582 176.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 39.0 m -104.76 77.82 1.38 Allowed 'General case' 0 N--CA 1.464 0.258 0 C-N-CA 127.147 2.179 . . . . 0.0 108.883 177.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 7.9 t -47.17 -49.71 21.99 Favored 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.372 1.069 . . . . 0.0 111.666 -176.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . 0.439 ' CG ' ' HB3' ' A' ' 57' ' ' GLN . 0.0 OUTLIER 165.34 69.0 0.0 OUTLIER 'General case' 0 CA--C 1.551 0.985 0 C-N-CA 126.68 1.992 . . . . 0.0 113.586 -174.317 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 51.8 mt-30 -49.1 -36.97 20.15 Favored 'General case' 0 N--CA 1.482 1.167 0 O-C-N 119.698 -1.876 . . . . 0.0 113.601 176.522 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 3.5 m -64.22 -42.9 96.38 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 123.664 0.785 . . . . 0.0 112.474 174.32 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.439 ' HB3' ' CG ' ' A' ' 54' ' ' TYR . 0.0 OUTLIER -68.58 -42.64 77.97 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.926 1.239 . . . . 0.0 111.412 175.094 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 7.0 mm -58.84 -49.97 81.06 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.72 0 CA-C-N 120.242 1.383 . . . . 0.0 110.477 175.694 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 11.5 t -66.84 -41.39 87.49 Favored 'General case' 0 CA--C 1.537 0.455 0 CA-C-N 118.428 0.558 . . . . 0.0 112.479 178.313 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.17 -52.88 56.86 Favored 'General case' 0 C--O 1.222 -0.356 0 C-N-CA 123.75 0.82 . . . . 0.0 111.947 176.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -61.96 -42.96 99.72 Favored 'General case' 0 CA--C 1.533 0.311 0 CA-C-O 117.431 -1.271 . . . . 0.0 110.52 177.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 40.0 m -54.0 -46.7 71.84 Favored 'General case' 0 N--CA 1.482 1.133 0 CA-C-N 119.885 1.221 . . . . 0.0 112.538 171.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -65.49 -38.53 90.03 Favored 'General case' 0 CA--C 1.541 0.626 0 CA-C-N 118.733 0.697 . . . . 0.0 112.165 173.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.2 mp -61.97 -29.42 46.38 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.456 0 C-N-CA 125.155 1.382 . . . . 0.0 112.105 175.573 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 11.0 mt -60.46 -39.94 89.39 Favored 'General case' 0 N--CA 1.474 0.766 0 CA-C-N 120.364 1.438 . . . . 0.0 111.151 174.462 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -72.94 -46.66 51.26 Favored 'General case' 0 CA--C 1.539 0.529 0 C-N-CA 126.68 1.992 . . . . 0.0 111.38 173.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -65.96 -14.75 62.16 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 126.165 1.786 . . . . 0.0 114.391 178.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 7.0 t -74.39 -29.05 61.38 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 124.204 1.002 . . . . 0.0 112.65 175.758 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -113.83 -36.53 4.8 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 112.886 0.699 . . . . 0.0 112.886 -177.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 14.7 t 53.89 55.93 0.34 Allowed 'Isoleucine or valine' 0 N--CA 1.483 1.189 0 C-N-CA 125.06 1.344 . . . . 0.0 112.07 175.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 14.1 p -112.05 -82.89 0.59 Allowed 'General case' 0 N--CA 1.48 1.035 0 C-N-CA 125.176 1.39 . . . . 0.0 112.216 -170.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 57.5 m -107.25 24.09 13.4 Favored 'General case' 0 N--CA 1.483 1.19 0 C-N-CA 127.042 2.137 . . . . 0.0 109.834 -178.195 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -122.77 154.4 38.23 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 127.59 2.356 . . . . 0.0 110.388 -174.028 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -79.46 -2.19 87.4 Favored Glycine 0 CA--C 1.539 1.558 0 C-N-CA 125.27 1.414 . . . . 0.0 115.369 177.582 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 94.0 p 46.64 32.29 1.64 Allowed 'General case' 0 N--CA 1.485 1.312 0 C-N-CA 127.272 2.229 . . . . 0.0 116.346 174.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.5 t-20 -162.58 -46.02 0.04 OUTLIER 'General case' 0 CA--C 1.539 0.555 0 C-N-CA 125.373 1.469 . . . . 0.0 110.934 176.492 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 46.2 t-20 -154.09 73.67 6.29 Favored Pre-proline 0 CA--C 1.549 0.94 0 C-N-CA 126.332 1.853 . . . . 0.0 108.631 176.256 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 56.9 Cg_endo -67.95 177.51 4.24 Favored 'Trans proline' 0 C--N 1.351 0.682 0 C-N-CA 122.331 2.02 . . . . 0.0 110.827 173.47 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.75 -26.64 4.03 Favored 'General case' 0 CA--C 1.54 0.576 0 N-CA-C 112.836 0.68 . . . . 0.0 112.836 169.271 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' A' ' 80' ' ' PHE . 0.1 OUTLIER -75.15 -38.86 60.82 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.146 0.978 . . . . 0.0 111.762 -177.21 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.8 t -69.76 -47.23 71.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.012 0 CA-C-N 119.703 1.138 . . . . 0.0 110.84 172.445 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -61.4 -40.33 93.99 Favored 'General case' 0 N--CA 1.472 0.648 0 CA-C-N 118.558 0.617 . . . . 0.0 112.331 176.329 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 74.5 ttt180 -61.07 -44.55 97.21 Favored 'General case' 0 C--O 1.215 -0.714 0 CA-C-O 116.59 -1.672 . . . . 0.0 110.81 168.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 4.0 t -51.49 -35.68 16.96 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 CA-C-N 121.323 1.874 . . . . 0.0 113.312 178.672 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 2.4 mp0 -63.46 -46.02 88.14 Favored 'General case' 0 CA--C 1.546 0.821 0 CA-C-N 121.94 2.155 . . . . 0.0 112.998 173.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.7 m -73.84 -44.7 54.81 Favored 'General case' 0 N--CA 1.479 0.992 0 O-C-N 121.355 -0.841 . . . . 0.0 111.98 177.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.452 HD13 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -60.39 -46.45 89.94 Favored 'General case' 0 C--O 1.214 -0.765 0 CA-C-O 116.412 -1.756 . . . . 0.0 110.016 176.606 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 11.4 mm -59.55 -39.0 78.24 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 CA-C-N 121.141 1.791 . . . . 0.0 110.339 175.748 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -62.06 -38.31 88.28 Favored 'General case' 0 CA--C 1.545 0.785 0 CA-C-N 119.965 1.257 . . . . 0.0 113.073 173.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 65.6 t -77.41 -37.85 25.7 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.065 0 C-N-CA 124.351 1.06 . . . . 0.0 112.425 176.038 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.432 HD11 ' HB3' ' A' ' 6' ' ' ASP . 0.6 OUTLIER -69.28 -45.26 70.07 Favored 'General case' 0 N--CA 1.466 0.346 0 C-N-CA 128.072 2.549 . . . . 0.0 111.3 178.371 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 60.5 p -63.95 -46.91 82.57 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 118.848 0.749 . . . . 0.0 110.567 176.839 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 1.5 pp0? -68.81 -27.82 66.19 Favored 'General case' 0 C--O 1.221 -0.427 0 CA-C-O 117.522 -1.227 . . . . 0.0 112.813 173.328 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.8 m -68.86 -47.77 65.11 Favored 'General case' 0 N--CA 1.477 0.885 0 CA-C-N 121.421 1.919 . . . . 0.0 111.193 174.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 69.9 m -65.01 -41.29 95.46 Favored 'General case' 0 N--CA 1.467 0.391 0 CA-C-O 118.973 -0.537 . . . . 0.0 111.871 174.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 57.1 m -70.07 -32.54 70.67 Favored 'General case' 0 N--CA 1.478 0.969 0 CA-C-N 119.979 1.263 . . . . 0.0 114.242 174.603 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 50.5 t30 -70.34 -19.99 63.02 Favored 'General case' 0 N--CA 1.474 0.758 0 C-N-CA 124.667 1.187 . . . . 0.0 112.387 168.436 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -91.69 -24.74 19.4 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 124.757 1.223 . . . . 0.0 113.067 174.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 24.3 mt -53.95 -42.3 53.27 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.131 0 C-N-CA 124.645 1.178 . . . . 0.0 111.371 171.58 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 3.5 t -157.98 59.91 0.47 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-O 121.932 0.872 . . . . 0.0 112.653 179.044 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . -154.07 -75.11 0.01 OUTLIER Glycine 0 CA--C 1.534 1.232 0 C-N-CA 124.193 0.901 . . . . 0.0 112.307 174.517 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -158.33 121.81 3.93 Favored 'General case' 0 CA--C 1.547 0.849 0 C-N-CA 124.248 1.019 . . . . 0.0 112.517 172.629 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 2.8 p -76.77 79.92 3.38 Favored 'General case' 0 N--CA 1.48 1.034 0 C-N-CA 126.626 1.97 . . . . 0.0 112.066 172.618 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -111.08 90.06 0.56 Allowed Glycine 0 N--CA 1.476 1.31 0 C-N-CA 125.042 1.306 . . . . 0.0 113.381 -175.277 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -70.08 -37.31 72.97 Favored Glycine 0 CA--C 1.539 1.537 0 C-N-CA 124.09 0.852 . . . . 0.0 115.058 -177.297 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 54.5 m -134.56 69.36 1.46 Allowed 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.095 1.358 . . . . 0.0 111.281 -174.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -131.19 18.82 4.92 Favored 'General case' 0 CA--C 1.551 0.989 0 C-N-CA 125.209 1.404 . . . . 0.0 113.88 -172.187 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 45.1 m-85 -78.8 -13.57 59.73 Favored 'General case' 0 N--CA 1.475 0.786 0 N-CA-C 114.456 1.28 . . . . 0.0 114.456 179.282 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 49.77 33.35 6.18 Favored 'General case' 0 CA--C 1.552 1.043 0 C-N-CA 125.649 1.579 . . . . 0.0 114.374 -174.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -147.09 -65.71 0.27 Allowed 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.777 0.831 . . . . 0.0 112.154 -176.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -169.18 43.22 0.03 OUTLIER 'General case' 0 N--CA 1.486 1.339 0 C-N-CA 124.463 1.105 . . . . 0.0 113.26 174.466 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 16.9 mp0 48.62 60.56 3.59 Favored 'General case' 0 N--CA 1.482 1.132 0 C-N-CA 125.038 1.335 . . . . 0.0 113.1 -174.641 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . 73.28 60.99 0.1 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 127.151 2.18 . . . . 0.0 112.54 -172.073 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 76.7 t80 -55.62 125.36 20.78 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 123.425 0.69 . . . . 0.0 111.535 174.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -151.43 100.22 2.71 Favored 'General case' 0 CA--C 1.543 0.68 0 C-N-CA 123.814 0.846 . . . . 0.0 110.812 -177.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 2.6 mt-30 -155.45 120.02 4.71 Favored 'General case' 0 CA--C 1.54 0.562 0 C-N-CA 124.857 1.263 . . . . 0.0 110.01 179.289 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.3 m 52.55 -66.77 0.01 OUTLIER 'General case' 0 N--CA 1.482 1.16 0 C-N-CA 128.612 2.765 . . . . 0.0 116.788 -176.563 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.221 0 C-N-CA 126.871 2.068 . . . . 0.0 111.539 -178.837 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.806 0 CA-C-O 119.354 -0.692 . . . . 0.0 113.723 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.9 m -150.8 172.23 15.95 Favored 'General case' 0 N--CA 1.478 0.963 0 C-N-CA 127.508 2.323 . . . . 0.0 108.112 177.685 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . 0.261 10.5 pt-20 49.76 10.71 0.05 OUTLIER 'General case' 0 N--CA 1.486 1.335 0 N-CA-C 117.247 2.314 . . . . 0.0 117.247 -176.743 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -150.95 -39.42 0.13 Allowed 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 126.728 2.011 . . . . 0.0 112.555 174.486 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 26.1 tp60 -67.55 -33.45 75.08 Favored 'General case' 0 N--CA 1.471 0.596 0 O-C-N 121.197 -0.94 . . . . 0.0 110.659 174.205 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . 0.569 ' HB2' HD11 ' A' ' 91' ' ' LEU . 6.1 p30 -55.47 -47.97 75.26 Favored 'General case' 0 C--O 1.224 -0.282 0 CA-C-O 117.055 -1.45 . . . . 0.0 112.892 172.059 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.23 -29.1 13.24 Favored 'General case' 0 N--CA 1.472 0.661 0 CA-C-N 120.521 1.51 . . . . 0.0 113.285 -179.082 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 41.1 t0 -67.47 -56.12 10.86 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 124.613 1.165 . . . . 0.0 112.376 176.751 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 60.9 m-20 -72.63 -39.76 66.97 Favored 'General case' 0 N--CA 1.474 0.768 0 O-C-N 121.175 -0.953 . . . . 0.0 112.009 178.149 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.563 HD12 HD11 ' A' ' 87' ' ' LEU . 2.4 tp -55.27 -47.84 74.92 Favored 'General case' 0 C--O 1.224 -0.258 0 C-N-CA 126.617 1.967 . . . . 0.0 110.37 172.703 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -58.73 -40.16 82.98 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-O 118.078 -0.963 . . . . 0.0 111.773 174.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 94.8 mt-30 -60.85 -46.24 91.36 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 121.122 1.783 . . . . 0.0 112.431 177.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.595 HG21 HD13 ' A' ' 87' ' ' LEU . 20.0 m -75.1 -30.84 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.018 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 177.478 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 23.2 mt -59.34 -52.77 56.9 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.495 0 C-N-CA 124.441 1.096 . . . . 0.0 109.886 167.818 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.559 HD11 ' HB2' ' A' ' 30' ' ' ALA . 3.7 mp -55.62 -47.16 77.01 Favored 'General case' 0 N--CA 1.468 0.461 0 C-N-CA 125.601 1.561 . . . . 0.0 110.831 176.665 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 46.9 m -57.63 -33.57 68.41 Favored 'General case' 0 N--CA 1.47 0.531 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 173.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -84.01 -40.68 18.12 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-N 119.479 1.036 . . . . 0.0 113.698 -179.019 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.7 m -68.87 -31.92 52.58 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.987 0 O-C-N 121.233 -0.917 . . . . 0.0 112.117 173.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -93.4 -4.24 51.79 Favored 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.65 1.18 . . . . 0.0 113.221 175.715 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -60.13 -24.82 65.0 Favored 'General case' 0 N--CA 1.482 1.162 0 O-C-N 120.786 -1.196 . . . . 0.0 112.593 171.786 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 63.0 m-80 -89.5 24.89 2.12 Favored 'General case' 0 CA--C 1.552 1.047 0 C-N-CA 126.304 1.842 . . . . 0.0 112.287 171.614 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 15.5 p 59.16 19.11 7.09 Favored 'General case' 0 N--CA 1.484 1.264 0 C-N-CA 128.825 2.85 . . . . 0.0 116.081 175.013 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 17.1 t70 -68.19 -43.36 78.26 Favored 'General case' 0 CA--C 1.542 0.655 0 N-CA-C 115.824 1.787 . . . . 0.0 115.824 -166.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.8 -44.83 0.06 Allowed 'General case' 0 N--CA 1.481 1.115 0 C-N-CA 128.437 2.695 . . . . 0.0 116.812 -170.24 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 68.2 m -63.9 -25.81 68.32 Favored 'General case' 0 N--CA 1.476 0.847 0 O-C-N 120.64 -1.288 . . . . 0.0 113.648 -177.653 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mttp -57.72 -17.26 14.22 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 172.428 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 25.6 m -63.74 -18.66 64.27 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.823 1.192 . . . . 0.0 113.712 165.112 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -72.64 -38.65 67.63 Favored 'General case' 0 CA--C 1.542 0.656 0 O-C-N 120.717 -1.239 . . . . 0.0 112.334 168.683 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.0 mmp_? -62.51 -22.32 66.19 Favored 'General case' 0 N--CA 1.478 0.959 0 O-C-N 121.12 -0.987 . . . . 0.0 113.112 172.586 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.559 ' HB2' HD11 ' A' ' 15' ' ' LEU . . . -57.92 -30.27 65.78 Favored 'General case' 0 CA--C 1.548 0.888 0 N-CA-C 113.639 0.977 . . . . 0.0 113.639 170.166 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 76.2 mt-30 -74.77 -28.82 60.9 Favored 'General case' 0 CA--C 1.543 0.7 0 O-C-N 121.334 -0.854 . . . . 0.0 112.037 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -73.78 -32.92 64.02 Favored 'General case' 0 CA--C 1.549 0.912 0 O-C-N 121.232 -0.917 . . . . 0.0 112.342 168.297 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . 0.519 ' HB2' HD11 ' A' ' 61' ' ' LEU . 0.7 OUTLIER -55.23 -44.35 75.36 Favored 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 125.355 1.462 . . . . 0.0 111.86 166.24 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 28.8 t -56.36 -29.8 61.87 Favored 'General case' 0 CA--C 1.544 0.726 0 N-CA-C 113.381 0.882 . . . . 0.0 113.381 170.723 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -64.01 -34.26 77.59 Favored 'General case' 0 N--CA 1.482 1.144 0 O-C-N 120.483 -1.386 . . . . 0.0 113.268 173.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -63.24 -53.77 47.76 Favored 'General case' 0 CA--C 1.539 0.544 0 CA-C-N 119.22 0.918 . . . . 0.0 109.799 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . . . . . . . . . 3.2 mm? -62.39 -32.44 73.26 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.747 1.219 . . . . 0.0 113.178 -179.86 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -71.49 -38.42 71.2 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.24 1.016 . . . . 0.0 112.444 170.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 8.1 t -60.3 -39.65 87.72 Favored 'General case' 0 N--CA 1.467 0.379 0 O-C-N 121.505 -0.747 . . . . 0.0 111.172 169.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.5 m -55.03 -34.46 63.52 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 124.496 1.118 . . . . 0.0 113.651 173.054 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -61.12 -39.08 88.66 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 124.095 0.958 . . . . 0.0 111.584 176.328 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -82.03 -34.72 29.39 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.01 0.924 . . . . 0.0 112.339 174.328 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -64.53 -29.02 70.05 Favored 'General case' 0 CA--C 1.542 0.666 0 C-N-CA 124.293 1.037 . . . . 0.0 112.604 174.587 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -64.85 -28.16 69.36 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.398 1.479 . . . . 0.0 112.719 173.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 30.3 tp -68.54 -43.96 75.59 Favored 'General case' 0 CA--C 1.543 0.687 0 O-C-N 121.355 -0.841 . . . . 0.0 112.25 176.455 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 50.1 pt -75.25 166.6 2.67 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.897 0 C-N-CA 123.828 0.851 . . . . 0.0 111.561 174.084 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 6.2 t -68.86 -14.37 62.99 Favored 'General case' 0 N--CA 1.479 0.99 0 N-CA-C 114.47 1.285 . . . . 0.0 114.47 -177.652 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -77.81 30.56 0.16 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 126.62 1.968 . . . . 0.0 114.81 -170.261 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.2 p -135.32 39.55 2.88 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 126.154 1.782 . . . . 0.0 113.752 -162.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.9 t -130.82 -34.95 1.47 Allowed 'General case' 0 N--CA 1.478 0.97 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 -174.367 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -65.81 -39.77 95.29 Favored Glycine 0 CA--C 1.538 1.482 0 O-C-N 121.256 -0.902 . . . . 0.0 113.398 176.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 74.7 m -141.45 -90.21 0.15 Allowed 'General case' 0 N--CA 1.473 0.683 0 C-N-CA 125.525 1.53 . . . . 0.0 109.265 169.657 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 17.4 p 168.21 -59.78 0.01 OUTLIER 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 127.719 2.408 . . . . 0.0 110.047 -177.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 39.0 p90 -155.58 7.6 0.24 Allowed 'General case' 0 CA--C 1.542 0.658 0 C-N-CA 126.574 1.949 . . . . 0.0 113.631 -179.74 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.4 tt0 -56.95 -32.24 65.81 Favored 'General case' 0 CA--C 1.546 0.821 0 O-C-N 120.488 -1.382 . . . . 0.0 113.516 -175.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 55.1 m -56.15 -49.91 72.64 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 123.914 0.886 . . . . 0.0 111.737 173.381 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 4.2 pt20 -77.34 -27.15 52.66 Favored 'General case' 0 C--O 1.222 -0.35 0 CA-C-O 117.01 -1.472 . . . . 0.0 112.691 175.275 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -59.17 -37.91 71.25 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 121.411 1.914 . . . . 0.0 112.278 175.843 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 69.1 m -67.09 -46.15 75.12 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.921 0.888 . . . . 0.0 111.983 177.456 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -64.53 -51.04 64.92 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 123.253 0.621 . . . . 0.0 111.327 175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 33' ' ' LEU . 1.7 tm? -52.8 -49.34 65.81 Favored 'General case' 0 N--CA 1.466 0.337 0 C-N-CA 126.597 1.959 . . . . 0.0 111.564 175.259 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 2.6 m -51.05 -51.07 56.84 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 124.45 1.1 . . . . 0.0 110.983 174.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 34.3 t30 -65.17 -37.42 87.31 Favored 'General case' 0 CA--C 1.546 0.8 0 O-C-N 121.988 -0.445 . . . . 0.0 111.533 178.125 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 1.3 mp -59.12 -33.98 52.05 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.835 0 C-N-CA 126.089 1.756 . . . . 0.0 113.31 172.589 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 27.5 mt -59.37 -48.56 81.16 Favored 'General case' 0 N--CA 1.472 0.642 0 CA-C-N 120.2 1.363 . . . . 0.0 110.152 177.668 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 47.3 m -64.12 -56.36 15.4 Favored 'General case' 0 N--CA 1.468 0.475 0 C-N-CA 124.586 1.155 . . . . 0.0 111.699 170.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 -63.79 -7.96 9.31 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 125.541 1.537 . . . . 0.0 114.953 -174.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 42.4 t -47.25 -36.4 8.96 Favored 'General case' 0 CA--C 1.545 0.785 0 C-N-CA 124.64 1.176 . . . . 0.0 112.536 160.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -87.77 -49.21 7.27 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 124.412 1.085 . . . . 0.0 113.221 177.312 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.295 2.4 t 47.7 60.95 0.26 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.393 0 CA-C-O 123.164 1.459 . . . . 0.0 111.862 -175.111 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . . . . . . . . . 3.7 t -157.08 -44.99 0.07 Allowed 'General case' 0 N--CA 1.486 1.332 0 O-C-N 120.457 -1.402 . . . . 0.0 114.474 -179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . . . . . . . . . 14.5 t -143.57 -39.23 0.31 Allowed 'General case' 0 N--CA 1.483 1.2 0 C-N-CA 124.404 1.082 . . . . 0.0 111.628 179.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . . . . . . . . . 14.3 p -83.3 76.76 9.87 Favored 'General case' 0 N--CA 1.465 0.321 0 C-N-CA 126.429 1.892 . . . . 0.0 110.545 169.727 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . 170.01 -66.09 0.16 Allowed Glycine 0 CA--C 1.528 0.864 0 O-C-N 120.864 -1.148 . . . . 0.0 112.638 174.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.5 t 48.2 27.28 1.25 Allowed 'General case' 0 CA--C 1.553 1.071 0 N-CA-C 115.086 1.513 . . . . 0.0 115.086 177.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.3 m120 50.86 110.85 0.0 OUTLIER 'General case' 0 CA--C 1.548 0.889 0 C-N-CA 127.126 2.17 . . . . 0.0 113.695 -157.34 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 8.6 m-20 55.85 75.46 0.59 Allowed Pre-proline 0 CA--C 1.55 0.965 0 C-N-CA 125.41 1.484 . . . . 0.0 112.438 179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_endo -69.36 175.17 8.11 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 123.226 2.617 . . . . 0.0 111.825 -176.669 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -49.79 -34.96 20.97 Favored 'General case' 0 CA--C 1.542 0.645 0 C-N-CA 123.704 0.802 . . . . 0.0 112.963 174.393 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 9.6 t80 -59.75 -41.44 91.0 Favored 'General case' 0 CA--C 1.544 0.73 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 173.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -64.26 -35.58 74.47 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.137 0 CA-C-N 120.223 1.374 . . . . 0.0 111.351 177.636 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 4.4 t -73.23 -37.75 66.27 Favored 'General case' 0 N--CA 1.468 0.443 0 O-C-N 121.807 -0.558 . . . . 0.0 111.205 173.035 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 35.9 ttt85 -58.6 -45.17 89.71 Favored 'General case' 0 N--CA 1.467 0.384 0 CA-C-O 116.818 -1.563 . . . . 0.0 111.063 174.534 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 30.5 m -62.08 -33.76 60.03 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.037 0 CA-C-N 121.194 1.815 . . . . 0.0 113.168 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.9 -35.54 76.92 Favored 'General case' 0 CA--C 1.542 0.659 0 CA-C-N 119.967 1.258 . . . . 0.0 112.168 178.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 97.8 m -80.06 -51.94 8.41 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.151 0.98 . . . . 0.0 111.492 170.411 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.595 HD13 HG21 ' A' ' 13' ' ' VAL . 0.2 OUTLIER -61.48 -39.04 89.48 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-O 117.591 -1.195 . . . . 0.0 112.225 -173.343 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.4 mm -58.59 -39.61 76.35 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.99 0 CA-C-N 120.142 1.337 . . . . 0.0 109.863 175.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.73 -48.8 70.7 Favored 'General case' 0 CA--C 1.541 0.61 0 CA-C-O 118.957 -0.544 . . . . 0.0 111.619 173.506 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 3.5 t -60.44 -39.69 81.9 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.187 0 CA-C-N 119.321 0.964 . . . . 0.0 111.511 176.259 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.569 HD11 ' HB2' ' A' ' 6' ' ' ASP . 1.2 tm? -64.77 -48.94 72.67 Favored 'General case' 0 CA--C 1.537 0.454 0 C-N-CA 128.033 2.533 . . . . 0.0 112.26 178.593 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 35.5 m -61.26 -41.67 97.31 Favored 'General case' 0 N--CA 1.468 0.472 0 CA-C-N 118.412 0.551 . . . . 0.0 110.744 172.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 20.1 mt-30 -65.98 -29.97 70.45 Favored 'General case' 0 CA--C 1.538 0.485 0 CA-C-O 117.457 -1.259 . . . . 0.0 113.642 171.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 24.7 m -67.85 -43.25 79.93 Favored 'General case' 0 N--CA 1.475 0.799 0 CA-C-N 121.754 2.07 . . . . 0.0 111.609 174.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 66.4 m -61.31 -49.8 75.53 Favored 'General case' 0 N--CA 1.468 0.452 0 C-N-CA 122.761 0.424 . . . . 0.0 111.113 172.443 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 75.4 m -63.62 -37.53 87.69 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 113.441 0.904 . . . . 0.0 113.441 176.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -59.95 -28.98 68.1 Favored 'General case' 0 CA--C 1.542 0.65 0 C-N-CA 125.059 1.344 . . . . 0.0 112.17 172.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -86.45 -16.62 36.58 Favored 'General case' 0 CA--C 1.551 0.989 0 N-CA-C 114.27 1.211 . . . . 0.0 114.27 174.104 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 25.5 mm -62.99 -47.85 90.78 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.068 0 CA-C-N 119.783 1.174 . . . . 0.0 111.193 174.634 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 77.3 p -162.72 21.01 0.09 Allowed 'General case' 0 N--CA 1.482 1.131 0 N-CA-C 114.562 1.319 . . . . 0.0 114.562 -178.558 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 96.72 -41.37 2.37 Favored Glycine 0 CA--C 1.533 1.187 0 C-N-CA 125.192 1.377 . . . . 0.0 112.53 -174.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . 37.73 37.81 0.14 Allowed 'General case' 0 CA--C 1.554 1.117 0 C-N-CA 127.583 2.353 . . . . 0.0 116.106 177.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 4.2 m -133.64 118.06 17.75 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 126.654 1.982 . . . . 0.0 108.266 -174.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . -63.61 -31.44 80.77 Favored Glycine 0 CA--C 1.538 1.469 0 C-N-CA 123.824 0.726 . . . . 0.0 113.858 -177.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 75.88 9.62 85.11 Favored Glycine 0 CA--C 1.539 1.559 0 C-N-CA 124.786 1.184 . . . . 0.0 115.221 174.632 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 72.2 p -147.19 12.27 1.06 Allowed 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.343 1.457 . . . . 0.0 114.208 -171.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -74.75 6.01 4.38 Favored 'General case' 0 CA--C 1.554 1.128 0 N-CA-C 115.129 1.529 . . . . 0.0 115.129 -176.473 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 86.1 m-85 -73.95 -13.5 60.89 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 125.601 1.56 . . . . 0.0 114.605 -177.576 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 45.84 40.93 7.12 Favored 'General case' 0 CA--C 1.55 0.979 0 C-N-CA 126.182 1.793 . . . . 0.0 114.723 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER 46.47 73.01 0.19 Allowed 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.503 1.921 . . . . 0.0 111.943 -168.32 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 93.3 p 43.52 37.21 1.38 Allowed 'General case' 0 N--CA 1.479 1.003 0 C-N-CA 126.691 1.996 . . . . 0.0 114.676 -171.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 81.0 mt-30 48.62 50.91 16.42 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 126.321 1.849 . . . . 0.0 113.446 -175.691 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -121.34 -61.38 1.54 Allowed 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.641 1.176 . . . . 0.0 112.969 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER 40.41 52.67 2.95 Favored 'General case' 0 CA--C 1.554 1.13 0 C-N-CA 127.07 2.148 . . . . 0.0 115.787 173.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -146.2 178.72 8.02 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 124.688 1.195 . . . . 0.0 111.97 -177.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -137.33 113.32 9.77 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.221 1.008 . . . . 0.0 110.751 -179.579 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 62.5 p -154.6 -35.63 0.1 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.251 1.42 . . . . 0.0 113.947 -171.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.172 0 C-N-CA 128.023 2.529 . . . . 0.0 114.499 -179.48 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.482 1.725 0 CA-C-O 119.238 -0.757 . . . . 0.0 112.026 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 m 66.51 2.37 2.46 Favored 'General case' 0 N--CA 1.486 1.361 0 C-N-CA 126.699 1.999 . . . . 0.0 115.989 176.113 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 pp20? -164.38 -43.32 0.03 OUTLIER 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 128.144 2.578 . . . . 0.0 109.445 161.651 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLN . . . . . 0.453 ' HA ' HD23 ' A' ' 7' ' ' LEU . 19.3 pt20 -81.5 -11.6 59.14 Favored 'General case' 0 N--CA 1.474 0.734 0 N-CA-C 115.579 1.696 . . . . 0.0 115.579 -171.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLN . . . . . . . . . . . . . 12.9 tt0 -108.59 8.21 27.02 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 125.528 1.531 . . . . 0.0 111.257 174.473 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ASP . . . . . . . . . . . . . 1.7 p-10 -144.31 43.57 1.41 Allowed 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 129.869 3.268 . . . . 0.0 107.78 -171.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.58 HD22 HD22 ' A' ' 37' ' ' LEU . 0.4 OUTLIER -128.94 -36.24 1.8 Allowed 'General case' 0 C--O 1.219 -0.529 0 C-N-CA 127.047 2.139 . . . . 0.0 109.894 167.963 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -83.94 -55.14 4.39 Favored 'General case' 0 CA--C 1.537 0.457 0 CA-C-N 118.9 0.773 . . . . 0.0 110.483 -174.714 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ASP . . . . . . . . . . . . . 21.3 m-20 -66.31 -38.82 88.62 Favored 'General case' 0 N--CA 1.47 0.549 0 C-N-CA 123.838 0.855 . . . . 0.0 111.756 170.383 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -64.59 -40.31 95.31 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 123.212 0.605 . . . . 0.0 111.525 175.814 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.42 -37.66 88.14 Favored 'General case' 0 C--O 1.22 -0.464 0 CA-C-O 117.171 -1.395 . . . . 0.0 111.888 168.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLN . . . . . . . . . . . . . 9.7 mt-30 -60.69 -42.57 97.42 Favored 'General case' 0 N--CA 1.473 0.686 0 CA-C-N 121.89 2.132 . . . . 0.0 112.501 175.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.649 HG21 HD13 ' A' ' 87' ' ' LEU . 3.0 m -77.81 -32.46 17.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.904 0 CA-C-N 119.648 1.113 . . . . 0.0 113.409 177.126 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ILE . . . . . . . . . . . . . 50.9 mt -69.64 -40.77 79.8 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.691 0 CA-C-N 120.334 1.425 . . . . 0.0 110.102 173.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -57.38 -46.61 83.24 Favored 'General case' 0 N--CA 1.468 0.459 0 CA-C-N 120.009 1.277 . . . . 0.0 110.259 170.233 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' SER . . . . . . . . . . . . . 21.0 t -57.22 -47.83 80.36 Favored 'General case' 0 N--CA 1.468 0.458 0 C-N-CA 123.381 0.672 . . . . 0.0 112.27 173.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ALA . . . . . . . . . . . . . . . -64.78 -49.89 68.93 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 124.711 1.204 . . . . 0.0 112.721 179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 13.8 m -72.18 -23.35 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.624 0 CA-C-O 118.038 -0.982 . . . . 0.0 112.731 -178.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -96.18 -7.32 36.06 Favored 'General case' 0 N--CA 1.476 0.843 0 CA-C-N 119.496 1.043 . . . . 0.0 112.9 174.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -61.84 -14.15 30.69 Favored 'General case' 0 N--CA 1.478 0.974 0 C-N-CA 125.138 1.375 . . . . 0.0 113.5 169.778 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.569 ' HB3' HG22 ' A' ' 73' ' ' THR . 8.6 m-80 -110.37 22.44 15.49 Favored 'General case' 0 CA--C 1.552 1.022 0 C-N-CA 125.722 1.609 . . . . 0.0 111.896 171.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' THR . . . . . . . . . . . . . 27.9 p 56.48 19.4 4.1 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 128.96 2.904 . . . . 0.0 116.491 171.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 8.1 m-20 -57.67 -38.75 75.64 Favored 'General case' 0 CA--C 1.543 0.711 0 N-CA-C 115.045 1.498 . . . . 0.0 115.045 -174.312 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER 58.88 -50.25 0.06 Allowed 'General case' 0 N--CA 1.482 1.174 0 C-N-CA 127.856 2.462 . . . . 0.0 115.109 -166.657 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' SER . . . . . . . . . . . . . 38.0 m -63.53 -28.34 69.88 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 125.194 1.397 . . . . 0.0 113.24 178.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -66.73 -16.45 64.25 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.261 1.024 . . . . 0.0 113.344 177.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' SER . . . . . . . . . . . . . 36.0 t -61.7 -41.25 97.35 Favored 'General case' 0 N--CA 1.475 0.819 0 C-N-CA 125.039 1.335 . . . . 0.0 112.628 165.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ALA . . . . . . . . . . . . . . . -69.11 -43.42 74.5 Favored 'General case' 0 CA--C 1.535 0.381 0 O-C-N 121.297 -0.877 . . . . 0.0 111.079 173.171 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.76 -40.19 75.37 Favored 'General case' 0 N--CA 1.476 0.837 0 CA-C-N 118.524 0.602 . . . . 0.0 111.896 175.274 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.52 -16.87 11.1 Favored 'General case' 0 CA--C 1.547 0.845 0 N-CA-C 114.933 1.457 . . . . 0.0 114.933 175.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.38 -25.73 66.1 Favored 'General case' 0 N--CA 1.474 0.738 0 CA-C-N 120.758 1.617 . . . . 0.0 112.669 167.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ALA . . . . . . . . . . . . . . . -65.72 -29.31 69.81 Favored 'General case' 0 CA--C 1.539 0.521 0 O-C-N 121.447 -0.783 . . . . 0.0 112.416 173.093 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -57.37 -37.32 72.44 Favored 'General case' 0 N--CA 1.472 0.667 0 CA-C-N 119.46 1.027 . . . . 0.0 110.743 170.052 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' SER . . . . . . . . . . . . . 14.0 m -66.84 -19.92 65.83 Favored 'General case' 0 CA--C 1.538 0.482 0 N-CA-C 113.552 0.945 . . . . 0.0 113.552 175.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -65.08 -29.51 70.39 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.631 -1.293 . . . . 0.0 111.74 169.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -66.63 -36.28 82.21 Favored 'General case' 0 C--O 1.224 -0.28 0 CA-C-O 118.345 -0.836 . . . . 0.0 112.304 172.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' LEU . . . . . 0.58 HD22 HD22 ' A' ' 7' ' ' LEU . 0.3 OUTLIER -56.99 -45.64 82.83 Favored 'General case' 0 N--CA 1.473 0.712 0 CA-C-N 119.922 1.237 . . . . 0.0 110.383 174.434 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ALA . . . . . . . . . . . . . . . -67.91 -40.04 83.47 Favored 'General case' 0 CA--C 1.542 0.64 0 C-N-CA 123.973 0.909 . . . . 0.0 111.994 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 9.1 t -65.46 -45.91 81.89 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 123.424 0.69 . . . . 0.0 112.078 173.584 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -61.55 -32.5 72.58 Favored 'General case' 0 N--CA 1.469 0.49 0 C-N-CA 125.289 1.436 . . . . 0.0 113.433 177.097 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -54.82 -44.27 73.7 Favored 'General case' 0 CA--C 1.545 0.784 0 C-N-CA 124.045 0.938 . . . . 0.0 111.307 169.117 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.62 -26.61 41.12 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 123.913 0.885 . . . . 0.0 113.02 175.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -72.59 -28.83 63.04 Favored 'General case' 0 CA--C 1.544 0.729 0 C-N-CA 124.094 0.958 . . . . 0.0 112.566 176.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 7.0 tt -62.19 -27.12 68.75 Favored 'General case' 0 CA--C 1.547 0.841 0 C-N-CA 126.171 1.789 . . . . 0.0 113.158 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 59.4 tp -57.5 -34.02 68.64 Favored 'General case' 0 N--CA 1.476 0.839 0 C-N-CA 125.265 1.426 . . . . 0.0 112.637 169.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 13.6 mt -99.98 168.63 1.78 Allowed 'Isoleucine or valine' 0 CA--C 1.549 0.921 0 C-N-CA 127.735 2.414 . . . . 0.0 107.96 -178.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' SER . . . . . . . . . . . . . 71.8 m -63.76 -72.55 0.14 Allowed 'General case' 0 N--CA 1.474 0.732 0 O-C-N 120.111 -1.618 . . . . 0.0 111.918 176.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 47.63 11.28 0.02 OUTLIER 'General case' 0 CA--C 1.554 1.114 0 C-N-CA 127.188 2.195 . . . . 0.0 116.624 -174.854 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 39.8 m -64.95 -52.08 58.29 Favored 'General case' 0 N--CA 1.473 0.716 0 O-C-N 120.536 -1.353 . . . . 0.0 113.151 -169.65 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.0 t -79.09 -16.73 56.33 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 123.625 0.77 . . . . 0.0 112.4 172.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . -71.32 -23.32 78.2 Favored Glycine 0 CA--C 1.536 1.371 0 C-N-CA 124.699 1.143 . . . . 0.0 113.89 172.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' SER . . . . . . . . . . . . . 79.6 p 43.24 32.77 0.5 Allowed 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 127.821 2.448 . . . . 0.0 115.285 178.004 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 23.0 t -55.11 -35.61 64.83 Favored 'General case' 0 N--CA 1.471 0.604 0 C-N-CA 124.615 1.166 . . . . 0.0 113.538 -171.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TYR . . . . . . . . . . . . . 13.8 t80 -53.99 -48.84 69.97 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.479 0.712 . . . . 0.0 112.661 171.673 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 10.2 tt0 -66.26 -45.85 79.1 Favored 'General case' 0 N--CA 1.467 0.414 0 O-C-N 121.614 -0.678 . . . . 0.0 110.924 179.131 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' THR . . . . . . . . . . . . . 36.3 m -59.06 -38.34 79.15 Favored 'General case' 0 N--CA 1.476 0.855 0 C-N-CA 123.84 0.856 . . . . 0.0 112.244 175.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -77.35 -38.32 50.52 Favored 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 124.32 1.048 . . . . 0.0 112.155 -179.059 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.3 mp -62.14 -39.99 85.9 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 120.212 1.369 . . . . 0.0 111.198 168.082 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 39.7 m -61.1 -52.79 63.41 Favored 'General case' 0 N--CA 1.472 0.634 0 CA-C-N 119.443 1.019 . . . . 0.0 112.089 171.501 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -56.27 -49.06 75.31 Favored 'General case' 0 CA--C 1.532 0.257 0 C-N-CA 123.59 0.756 . . . . 0.0 111.247 178.388 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 1.2 mp -67.62 -49.8 61.24 Favored 'General case' 0 C--O 1.226 -0.179 0 CA-C-O 117.037 -1.458 . . . . 0.0 111.813 -179.329 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' THR . . . . . . . . . . . . . 1.5 t -59.75 -32.83 70.93 Favored 'General case' 0 N--CA 1.481 1.123 0 CA-C-N 121.0 1.727 . . . . 0.0 112.571 178.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -78.7 -31.37 46.53 Favored 'General case' 0 CA--C 1.549 0.937 0 O-C-N 121.029 -1.044 . . . . 0.0 113.22 172.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 12.7 mt -62.98 -30.48 49.72 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.853 0 O-C-N 120.453 -1.404 . . . . 0.0 111.652 168.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' LEU . . . . . . . . . . . . . 5.2 mt -61.7 -44.11 97.56 Favored 'General case' 0 N--CA 1.475 0.775 0 CA-C-N 119.826 1.194 . . . . 0.0 109.787 171.442 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -57.22 -49.4 76.14 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 125.829 1.652 . . . . 0.0 112.576 170.833 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 57.1 m-20 -74.41 -5.88 45.01 Favored 'General case' 0 CA--C 1.546 0.82 0 N-CA-C 114.349 1.24 . . . . 0.0 114.349 177.237 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' CYS . . . . . . . . . . . . . 12.6 t -75.47 -28.31 59.19 Favored 'General case' 0 CA--C 1.545 0.765 0 O-C-N 120.647 -1.283 . . . . 0.0 111.534 167.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -98.19 -46.14 5.95 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 123.751 0.821 . . . . 0.0 112.204 -177.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . 0.263 85.3 t 54.29 54.08 0.35 Allowed 'Isoleucine or valine' 0 N--CA 1.487 1.425 0 CA-C-O 123.132 1.444 . . . . 0.0 112.274 -179.286 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' THR . . . . . 0.564 HG22 ' H ' ' A' ' 72' ' ' THR . 8.5 m -139.29 -145.98 0.2 Allowed 'General case' 0 N--CA 1.483 1.194 0 C-N-CA 126.448 1.899 . . . . 0.0 107.91 174.074 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' THR . . . . . 0.564 ' H ' HG22 ' A' ' 71' ' ' THR . 62.0 m -52.76 -29.76 29.02 Favored 'General case' 0 N--CA 1.48 1.052 0 C-N-CA 126.313 1.845 . . . . 0.0 113.702 178.136 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' THR . . . . . 0.569 HG22 ' HB3' ' A' ' 21' ' ' ASN . 27.2 p -95.45 43.79 1.09 Allowed 'General case' 0 N--CA 1.466 0.369 0 C-N-CA 124.121 0.968 . . . . 0.0 111.534 -155.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLY . . . . . . . . . . . . . . . -170.35 -62.64 0.04 OUTLIER Glycine 0 CA--C 1.532 1.123 0 C-N-CA 126.025 1.774 . . . . 0.0 113.058 -174.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.1 t 45.82 28.88 0.63 Allowed 'General case' 0 N--CA 1.48 1.047 0 C-N-CA 126.457 1.903 . . . . 0.0 115.686 179.263 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 60.71 110.68 0.02 OUTLIER 'General case' 0 CA--C 1.551 1.0 0 C-N-CA 127.921 2.488 . . . . 0.0 113.389 -170.532 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 32.1 t-20 58.71 79.96 0.29 Allowed Pre-proline 0 CA--C 1.556 1.174 0 C-N-CA 124.956 1.302 . . . . 0.0 111.13 -170.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 64.2 Cg_endo -69.84 169.5 18.86 Favored 'Trans proline' 0 C--N 1.352 0.716 0 C-N-CA 122.624 2.216 . . . . 0.0 112.087 177.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ALA . . . . . . . . . . . . . . . -50.62 -27.91 7.78 Favored 'General case' 0 CA--C 1.541 0.617 0 CA-C-N 115.283 -0.871 . . . . 0.0 112.852 165.625 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.79 -40.1 88.04 Favored 'General case' 0 N--CA 1.472 0.665 0 CA-C-N 119.943 1.247 . . . . 0.0 111.888 -179.697 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -76.19 -40.61 36.68 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.91 0 CA-C-N 118.721 0.691 . . . . 0.0 111.44 177.82 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' SER . . . . . . . . . . . . . 19.9 t -68.34 -41.71 80.36 Favored 'General case' 0 N--CA 1.469 0.476 0 C-N-CA 123.05 0.54 . . . . 0.0 110.99 178.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ARG . . . . . . . . . . . . . 32.7 ttt180 -60.95 -42.73 98.81 Favored 'General case' 0 C--O 1.217 -0.637 0 CA-C-O 115.968 -1.968 . . . . 0.0 111.379 167.277 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.425 ' HA ' HD23 ' A' ' 87' ' ' LEU . 1.2 t -48.45 -43.09 12.59 Favored 'Isoleucine or valine' 0 N--CA 1.482 1.168 0 CA-C-N 121.369 1.895 . . . . 0.0 112.903 177.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.94 -43.39 98.93 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-N 119.129 0.877 . . . . 0.0 112.764 177.713 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' THR . . . . . . . . . . . . . 94.2 m -72.96 -39.36 66.22 Favored 'General case' 0 N--CA 1.479 0.998 0 C-N-CA 125.557 1.543 . . . . 0.0 112.464 177.124 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.649 HD13 HG21 ' A' ' 13' ' ' VAL . 1.7 tp -52.81 -49.43 65.66 Favored 'General case' 0 C--O 1.219 -0.505 0 C-N-CA 127.28 2.232 . . . . 0.0 110.426 170.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.69 -38.49 76.03 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.712 0 CA-C-N 119.209 0.913 . . . . 0.0 110.853 -179.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -65.51 -49.4 69.11 Favored 'General case' 0 CA--C 1.547 0.828 0 O-C-N 121.513 -0.742 . . . . 0.0 112.757 172.42 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' VAL . . . . . . . . . . . . . 85.9 t -62.24 -37.36 78.38 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.964 0 C-N-CA 123.863 0.865 . . . . 0.0 111.923 177.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.476 ' C ' HD13 ' A' ' 91' ' ' LEU . 1.2 tm? -63.32 -48.81 76.46 Favored 'General case' 0 N--CA 1.465 0.303 0 C-N-CA 126.73 2.012 . . . . 0.0 111.111 174.368 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' SER . . . . . . . . . . . . . 50.8 m -59.4 -39.74 84.38 Favored 'General case' 0 N--CA 1.468 0.462 0 CA-C-N 118.459 0.572 . . . . 0.0 111.264 175.552 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' GLN . . . . . . . . . . . . . 34.7 mt-30 -68.87 -34.45 75.47 Favored 'General case' 0 CA--C 1.538 0.498 0 CA-C-O 117.78 -1.105 . . . . 0.0 113.84 170.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.7 m -63.03 -44.82 94.85 Favored 'General case' 0 N--CA 1.474 0.728 0 CA-C-N 121.22 1.827 . . . . 0.0 111.92 174.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 70.6 m -61.41 -48.83 79.42 Favored 'General case' 0 N--CA 1.469 0.494 0 CA-C-N 118.569 0.622 . . . . 0.0 111.383 173.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' SER . . . . . . . . . . . . . 70.6 m -67.64 -28.61 67.86 Favored 'General case' 0 N--CA 1.475 0.792 0 N-CA-C 114.274 1.213 . . . . 0.0 114.274 177.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -70.32 -38.71 74.99 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 124.586 1.154 . . . . 0.0 111.518 170.249 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ALA . . . . . . . . . . . . . . . -72.34 -22.56 61.15 Favored 'General case' 0 CA--C 1.547 0.852 0 N-CA-C 113.972 1.101 . . . . 0.0 113.972 175.663 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 54.5 mt -57.2 -47.69 83.6 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.086 0 CA-C-N 119.361 0.982 . . . . 0.0 110.782 170.346 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.77 -36.9 0.03 OUTLIER 'General case' 0 N--CA 1.479 1.013 0 C-N-CA 124.861 1.265 . . . . 0.0 114.141 170.647 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' GLY . . . . . . . . . . . . . . . 119.11 70.23 0.34 Allowed Glycine 0 N--CA 1.476 1.32 0 CA-C-N 119.16 0.891 . . . . 0.0 113.747 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ALA . . . . . . . . . . . . . . . -141.02 37.18 1.75 Allowed 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 124.455 1.102 . . . . 0.0 113.35 -171.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' THR . . . . . . . . . . . . . 8.1 t -147.7 -48.25 0.17 Allowed 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.571 1.322 . . . . 0.0 114.571 -177.591 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLY . . . . . . . . . . . . . . . 145.25 -163.76 28.07 Favored Glycine 0 CA--C 1.536 1.345 0 C-N-CA 124.372 0.987 . . . . 0.0 112.551 -173.162 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . -139.98 -81.92 0.08 OUTLIER Glycine 0 CA--C 1.535 1.299 0 C-N-CA 124.305 0.955 . . . . 0.0 112.556 175.199 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' SER . . . . . . . . . . . . . 2.6 m -152.35 53.6 0.79 Allowed 'General case' 0 N--CA 1.479 0.978 0 C-N-CA 125.006 1.322 . . . . 0.0 112.423 -175.509 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' ALA . . . . . . . . . . . . . . . -69.47 47.07 0.07 Allowed 'General case' 0 CA--C 1.559 1.308 0 C-N-CA 125.854 1.662 . . . . 0.0 114.678 177.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PHE . . . . . . . . . . . . . 79.4 m-85 -94.89 -7.0 41.35 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 126.526 1.93 . . . . 0.0 114.0 -178.437 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . 50.06 31.77 5.2 Favored 'General case' 0 CA--C 1.555 1.146 0 C-N-CA 126.112 1.765 . . . . 0.0 114.96 -175.459 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' GLN . . . . . . . . . . . . . 58.4 tt0 -148.38 -49.24 0.16 Allowed 'General case' 0 N--CA 1.474 0.772 0 C-N-CA 125.535 1.534 . . . . 0.0 111.598 -178.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -92.43 16.14 12.47 Favored 'General case' 0 N--CA 1.478 0.926 0 C-N-CA 125.463 1.505 . . . . 0.0 114.047 -173.698 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -132.79 14.55 4.37 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.868 1.667 . . . . 0.0 112.946 -173.393 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' ALA . . . . . . . . . . . . . . . -147.51 -46.78 0.17 Allowed 'General case' 0 CA--C 1.546 0.8 0 C-N-CA 124.785 1.234 . . . . 0.0 113.453 177.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER 58.09 174.82 0.06 Allowed 'General case' 0 CA--C 1.556 1.189 0 C-N-CA 126.13 1.772 . . . . 0.0 114.47 -173.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLN . . . . . . . . . . . . . 10.5 mp0 52.99 -179.15 0.02 OUTLIER 'General case' 0 CA--C 1.557 1.216 0 C-N-CA 125.945 1.698 . . . . 0.0 115.015 -169.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -66.62 166.45 12.82 Favored 'General case' 0 CA--C 1.546 0.819 0 O-C-N 120.991 -1.068 . . . . 0.0 112.659 165.659 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 56.9 p -152.03 158.77 43.51 Favored 'General case' 0 N--CA 1.472 0.668 0 C-N-CA 125.332 1.453 . . . . 0.0 111.207 167.196 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.283 0 C-N-CA 125.386 1.474 . . . . 0.0 111.32 -177.095 . . . . . . . . 0 0 . 1 stop_ save_