data_2ari_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 2ari _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 ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.092 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.83 71.89 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.992 -0.711 . . . . 0.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.11 -44.36 38.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 110.901 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -64.01 -46.42 84.57 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 117.443 -1.703 . . . . 0.0 107.058 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.95 -45.12 78.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.318 -1.489 . . . . 0.0 110.254 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.21 -47.11 62.03 Favored Glycine 0 N--CA 1.491 2.33 0 O-C-N 121.143 -0.973 . . . . 0.0 111.78 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -88.0 -35.65 17.47 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.178 -1.778 . . . . 0.0 112.844 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.63 -14.97 49.32 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.698 -1.251 . . . . 0.0 108.64 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.53 -1.47 89.21 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.32 -38.85 13.86 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 122.304 1.05 . . . . 0.0 108.571 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.42 84.64 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.322 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.54 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.699 -1.238 . . . . 0.0 111.279 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -71.11 -23.99 62.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.927 0.87 . . . . 0.0 112.672 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.5 m -88.68 -39.07 14.28 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.55 0.69 . . . . 0.0 109.35 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.544 -0.723 . . . . 0.0 109.933 -179.153 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.083 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.48 72.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.778 -0.837 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.87 -42.56 48.96 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.122 -0.986 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -61.95 -48.18 81.55 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 117.592 -1.643 . . . . 0.0 106.837 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 mt -58.88 -43.36 90.92 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.437 -1.414 . . . . 0.0 110.956 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.27 -46.79 70.58 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.236 -0.915 . . . . 0.0 111.557 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -87.27 -34.88 18.76 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 119.866 1.833 . . . . 0.0 112.69 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.21 -13.69 40.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.752 -1.217 . . . . 0.0 108.86 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.61 -1.87 90.04 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.18 -39.39 13.6 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.387 1.089 . . . . 0.0 108.517 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.69 83.36 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.131 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.23 93.99 Favored Glycine 0 N--CA 1.49 2.299 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.077 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -71.19 -24.03 62.15 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.865 0.84 . . . . 0.0 112.598 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -88.93 -39.51 13.71 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.673 0.749 . . . . 0.0 109.319 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 mtt . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.008 -179.098 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.808 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.48 71.63 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.938 -0.743 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.63 -47.0 23.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.803 . . . . 0.0 110.123 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.89 -46.17 86.09 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.682 -1.607 . . . . 0.0 107.028 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.11 -43.7 78.37 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.358 -1.464 . . . . 0.0 110.433 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.63 -45.97 59.5 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.231 -0.985 . . . . 0.0 111.104 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -89.14 -34.38 16.73 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.499 -1.589 . . . . 0.0 111.88 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -19.71 65.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.629 -1.295 . . . . 0.0 108.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.62 -39.71 55.34 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.54 64.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.431 -1.041 . . . . 0.0 109.895 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.5 71.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.398 -0.814 . . . . 0.0 111.365 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.16 93.53 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.819 -1.175 . . . . 0.0 111.542 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.6 t -70.75 -24.28 62.59 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.897 0.856 . . . . 0.0 112.626 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p -88.89 -38.85 14.23 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.972 -179.268 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.85 0 N-CA-C 108.534 -1.827 . . . . 0.0 108.534 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.06 72.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.843 -0.798 . . . . 0.0 111.099 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.38 -44.64 35.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.382 -0.824 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.36 -47.33 76.79 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 117.428 -1.709 . . . . 0.0 107.228 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -54.68 -43.8 72.8 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.007 -1.683 . . . . 0.0 109.555 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.33 -45.84 57.97 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.203 -0.998 . . . . 0.0 110.817 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -90.08 -35.54 15.4 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.485 -1.597 . . . . 0.0 112.139 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.51 -19.08 65.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.627 -1.296 . . . . 0.0 108.71 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.32 -39.23 52.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.41 64.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.52 -0.988 . . . . 0.0 109.983 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.07 69.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.53 94.2 Favored Glycine 0 N--CA 1.49 2.297 0 C-N-CA 119.837 -1.173 . . . . 0.0 111.276 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.78 -23.87 62.47 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.04 0.924 . . . . 0.0 112.421 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -88.87 -39.49 13.78 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.551 0.691 . . . . 0.0 109.269 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.626 -0.671 . . . . 0.0 110.098 -179.2 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.226 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 -29.79 70.99 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.329 0.585 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 tp -76.47 -46.26 27.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.319 -0.863 . . . . 0.0 110.729 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -63.57 -46.21 86.91 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 117.413 -1.715 . . . . 0.0 107.197 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.1 mt -56.57 -43.92 80.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.484 -1.385 . . . . 0.0 110.695 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.7 -47.77 63.46 Favored Glycine 0 N--CA 1.491 2.351 0 O-C-N 121.136 -0.978 . . . . 0.0 111.464 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -88.19 -36.63 16.7 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 119.862 1.831 . . . . 0.0 112.778 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.61 -11.37 43.81 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.652 -1.28 . . . . 0.0 109.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.32 -41.73 16.4 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.34 61.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.19 -1.182 . . . . 0.0 109.703 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.13 82.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.84 -0.537 . . . . 0.0 110.706 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.46 92.45 Favored Glycine 0 N--CA 1.488 2.159 0 C-N-CA 119.786 -1.197 . . . . 0.0 111.252 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.22 -24.41 62.2 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.732 0.777 . . . . 0.0 112.714 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 m -88.79 -39.43 13.9 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.666 0.746 . . . . 0.0 109.326 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.695 -0.628 . . . . 0.0 109.866 -179.187 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.005 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.07 71.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 122.018 -0.695 . . . . 0.0 110.683 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.42 -47.35 23.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.379 -0.826 . . . . 0.0 109.943 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -64.31 -46.0 85.46 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 117.404 -1.718 . . . . 0.0 106.92 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.77 -45.38 82.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.199 -1.563 . . . . 0.0 109.867 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.22 -47.2 56.07 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -89.4 -34.96 16.3 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.552 -1.558 . . . . 0.0 111.453 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.75 -18.97 65.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.914 -1.117 . . . . 0.0 109.118 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.73 -39.3 48.66 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.01 63.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.488 -1.007 . . . . 0.0 109.926 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.455 -0.778 . . . . 0.0 111.357 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.49 93.67 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.888 -1.148 . . . . 0.0 111.466 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -70.87 -23.96 62.41 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.007 0.908 . . . . 0.0 112.438 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -88.69 -39.28 14.11 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.564 0.697 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.4 mtp . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.562 -0.711 . . . . 0.0 110.138 -179.179 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.97 73.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.956 -0.732 . . . . 0.0 111.503 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.89 -44.74 30.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.197 -0.939 . . . . 0.0 110.727 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.76 -44.02 91.41 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 117.46 -1.696 . . . . 0.0 107.009 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.98 -43.87 86.8 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.296 -1.503 . . . . 0.0 109.852 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.06 61.38 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 121.212 -0.93 . . . . 0.0 110.812 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -88.23 -33.63 18.04 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.516 -1.579 . . . . 0.0 111.439 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.66 -22.31 66.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.985 -1.072 . . . . 0.0 108.757 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.38 -40.38 55.05 Favored Glycine 0 N--CA 1.492 2.37 0 O-C-N 121.093 -1.004 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.9 -32.42 65.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.063 -1.257 . . . . 0.0 109.949 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.94 74.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.443 -0.786 . . . . 0.0 111.204 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.11 94.0 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.809 -1.186 . . . . 0.0 111.32 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.99 -23.96 62.3 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.901 0.857 . . . . 0.0 112.726 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.2 m -88.86 -39.42 13.84 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.569 0.7 . . . . 0.0 109.371 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.4 mtt . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.591 -0.693 . . . . 0.0 109.907 -179.08 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.073 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.72 70.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 122.133 -0.628 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -76.75 -47.45 21.73 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.228 -0.92 . . . . 0.0 110.614 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.03 -44.3 92.95 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.53 -1.668 . . . . 0.0 106.872 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.45 -44.84 89.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.395 -1.441 . . . . 0.0 110.246 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.37 57.53 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.239 -0.913 . . . . 0.0 110.928 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -87.67 -33.36 18.81 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.348 -1.677 . . . . 0.0 111.416 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.3 -21.76 64.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.008 -1.057 . . . . 0.0 108.418 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.72 -1.39 90.18 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.48 13.37 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.371 -1.076 . . . . 0.0 108.571 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.73 83.21 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.248 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.03 94.0 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.756 -1.211 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.1 t -71.18 -23.85 62.12 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.859 0.838 . . . . 0.0 112.695 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -89.01 -39.38 13.73 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.659 0.743 . . . . 0.0 109.404 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.791 . . . . 0.0 109.972 -179.053 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.218 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.83 71.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 122.064 -0.668 . . . . 0.0 110.678 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.79 -47.42 21.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.362 -0.836 . . . . 0.0 110.425 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -64.28 -46.05 85.37 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 117.509 -1.677 . . . . 0.0 107.193 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.88 -44.21 77.95 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.481 -1.387 . . . . 0.0 110.188 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.92 -46.11 61.01 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.297 -0.954 . . . . 0.0 110.95 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -88.58 -35.09 17.09 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.403 -1.645 . . . . 0.0 112.197 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -20.99 64.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.707 -1.246 . . . . 0.0 108.144 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.47 90.26 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.45 -39.32 13.44 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.39 -1.065 . . . . 0.0 108.364 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.45 84.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.08 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.43 93.73 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.761 -1.209 . . . . 0.0 111.118 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -71.17 -24.13 62.18 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.817 0.818 . . . . 0.0 112.647 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.6 m -89.06 -39.68 13.49 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.631 0.729 . . . . 0.0 109.282 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.924 -179.173 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.978 0 N-CA-C 108.43 -1.868 . . . . 0.0 108.43 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.73 -31.61 72.57 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.985 -0.715 . . . . 0.0 111.154 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 mt -76.85 -45.3 28.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.89 -45.77 84.54 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 117.396 -1.721 . . . . 0.0 107.151 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.74 -44.0 69.56 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.263 -1.523 . . . . 0.0 110.026 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.37 -45.71 52.74 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.146 -1.026 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -90.8 -34.66 15.22 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.74 -1.447 . . . . 0.0 111.644 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -25.91 67.96 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.74 -39.65 59.64 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.22 -31.39 63.45 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.45 -1.03 . . . . 0.0 109.902 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.98 74.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.4 -0.813 . . . . 0.0 111.293 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.54 93.11 Favored Glycine 0 N--CA 1.49 2.246 0 O-C-N 120.833 -1.167 . . . . 0.0 111.444 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.984 0.897 . . . . 0.0 112.695 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.93 -38.93 14.13 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.81 . . . . 0.0 110.04 -179.215 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.835 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.48 70.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.723 -0.869 . . . . 0.0 110.586 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.62 -46.43 26.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.705 . . . . 0.0 110.029 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -64.6 -48.38 75.14 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 117.641 -1.624 . . . . 0.0 107.167 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.02 -43.38 81.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.299 -1.5 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.08 -45.35 62.8 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.692 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -88.7 -34.89 17.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.431 -1.629 . . . . 0.0 112.192 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -18.46 65.36 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.784 -1.197 . . . . 0.0 108.957 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -40.26 58.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.41 63.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -1.055 . . . . 0.0 109.762 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.95 69.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.786 . . . . 0.0 111.376 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.8 93.68 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.87 -1.157 . . . . 0.0 111.333 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 t -70.58 -24.17 62.71 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.938 0.875 . . . . 0.0 112.364 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 m -88.88 -39.26 13.95 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.535 0.683 . . . . 0.0 109.25 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.643 -0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.008 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.05 72.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.97 -0.724 . . . . 0.0 111.23 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.7 mt -76.72 -45.02 30.98 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.286 -0.884 . . . . 0.0 110.45 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -63.25 -46.87 84.91 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 117.738 -1.585 . . . . 0.0 106.952 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.44 -43.66 84.09 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.459 -1.4 . . . . 0.0 110.325 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.72 66.68 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 120.228 -0.986 . . . . 0.0 111.226 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -87.66 -34.46 18.44 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.273 -1.721 . . . . 0.0 112.417 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -19.33 63.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.723 -1.236 . . . . 0.0 108.551 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.42 -1.72 90.21 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.34 -39.28 13.55 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 122.309 1.052 . . . . 0.0 108.535 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.93 82.3 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.115 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.37 94.15 Favored Glycine 0 N--CA 1.49 2.269 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.089 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 t -71.14 -24.0 62.19 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.848 0.832 . . . . 0.0 112.519 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.3 m -89.01 -39.7 13.51 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.628 0.727 . . . . 0.0 109.236 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.695 . . . . 0.0 109.851 -179.251 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.985 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.88 71.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.906 -0.761 . . . . 0.0 110.962 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 mt -76.58 -45.93 28.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.458 -0.777 . . . . 0.0 110.502 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -64.12 -46.54 83.69 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 117.702 -1.599 . . . . 0.0 107.083 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -56.7 -43.85 80.94 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.404 -1.435 . . . . 0.0 110.256 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.25 64.36 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.039 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -88.68 -34.83 17.07 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.488 -1.595 . . . . 0.0 112.227 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -18.62 65.46 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.802 -1.186 . . . . 0.0 108.963 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.85 -39.91 58.7 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.85 -31.59 64.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.343 -1.093 . . . . 0.0 109.962 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.02 69.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.389 -0.82 . . . . 0.0 111.363 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.38 -39.59 94.25 Favored Glycine 0 N--CA 1.491 2.311 0 C-N-CA 119.848 -1.167 . . . . 0.0 111.301 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.69 -23.88 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.016 0.912 . . . . 0.0 112.423 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -89.01 -39.63 13.55 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.495 0.664 . . . . 0.0 109.239 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.167 -179.192 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.007 0 N-CA-C 108.165 -1.974 . . . . 0.0 108.165 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.81 71.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 122.178 -0.601 . . . . 0.0 111.349 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mp -76.69 -46.14 26.78 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.232 -0.918 . . . . 0.0 110.278 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.21 -46.29 84.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 117.396 -1.722 . . . . 0.0 107.087 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.73 -44.05 77.16 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.251 -1.531 . . . . 0.0 110.126 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.51 -46.54 65.16 Favored Glycine 0 N--CA 1.489 2.212 0 O-C-N 121.23 -0.919 . . . . 0.0 111.543 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -89.02 -35.92 16.1 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.333 -1.686 . . . . 0.0 112.502 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.16 -14.83 61.54 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.688 -1.258 . . . . 0.0 108.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.93 -39.89 37.18 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -31.76 65.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -1.111 . . . . 0.0 110.085 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.19 72.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.347 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.08 93.93 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.865 -1.16 . . . . 0.0 111.332 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -70.97 -23.91 62.3 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.978 0.895 . . . . 0.0 112.568 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -88.66 -39.15 14.24 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.593 0.711 . . . . 0.0 109.411 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.5 mmt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.56 -0.712 . . . . 0.0 110.006 -179.16 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.03 0 N-CA-C 108.202 -1.959 . . . . 0.0 108.202 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.89 71.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.983 -0.716 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.05 -46.8 22.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.818 . . . . 0.0 110.196 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.77 -47.27 81.66 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 117.664 -1.615 . . . . 0.0 107.212 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.57 -43.23 84.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.361 -1.462 . . . . 0.0 110.622 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.65 -45.47 68.26 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.03 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -88.38 -35.08 17.34 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.316 -1.697 . . . . 0.0 112.363 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -16.77 63.87 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.693 -1.254 . . . . 0.0 108.803 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.33 -40.64 48.35 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.31 64.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -1.116 . . . . 0.0 109.903 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -50.11 73.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.609 -0.682 . . . . 0.0 111.157 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.28 -39.31 94.33 Favored Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.172 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -71.17 -23.96 62.15 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.894 0.854 . . . . 0.0 112.585 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -89.07 -39.59 13.54 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.61 -0.682 . . . . 0.0 109.985 -179.178 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.758 0 N-CA-C 108.176 -1.97 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.4 71.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.783 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 8.3 mp -77.09 -47.81 19.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 0.0 109.938 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -64.2 -46.61 83.16 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.576 -1.65 . . . . 0.0 106.817 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.75 -43.52 80.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.34 -1.475 . . . . 0.0 109.909 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.39 -45.07 66.27 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.14 -1.028 . . . . 0.0 110.713 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -88.97 -35.04 16.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.485 -1.597 . . . . 0.0 112.058 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -19.14 65.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.69 -1.256 . . . . 0.0 108.82 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.47 -40.45 54.4 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.56 63.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.413 -1.051 . . . . 0.0 109.609 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -50.12 73.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 111.214 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.6 92.25 Favored Glycine 0 N--CA 1.49 2.244 0 C-N-CA 119.827 -1.177 . . . . 0.0 111.534 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -24.58 62.65 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.923 0.868 . . . . 0.0 112.533 -177.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 p -88.86 -38.75 14.34 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 -179.282 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.182 0 N-CA-C 108.825 -1.71 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.25 72.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 122.048 -0.677 . . . . 0.0 111.258 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.96 -45.42 27.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.264 -0.898 . . . . 0.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.35 -46.48 86.39 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 117.563 -1.655 . . . . 0.0 107.034 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.46 -43.53 84.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.512 -1.367 . . . . 0.0 110.318 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.56 -46.04 66.43 Favored Glycine 0 N--CA 1.491 2.321 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.289 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -88.04 -35.21 17.68 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.299 -1.706 . . . . 0.0 112.48 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -16.26 63.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.753 -1.217 . . . . 0.0 108.849 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.13 41.1 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.922 -1.111 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.66 64.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -1.131 . . . . 0.0 109.91 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.03 78.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.392 -0.818 . . . . 0.0 111.004 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.89 -38.99 93.3 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.41 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 19' ' ' THR . 93.9 p -71.19 -24.3 62.2 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.844 0.83 . . . . 0.0 112.909 -177.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 18' ' ' SER . 17.4 p -89.03 -39.22 13.83 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.637 0.732 . . . . 0.0 109.172 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.2 mmm . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.754 . . . . 0.0 109.957 -179.192 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.095 0 N-CA-C 108.544 -1.823 . . . . 0.0 108.544 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.15 71.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 122.024 -0.692 . . . . 0.0 110.752 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.8 mt -76.78 -46.58 24.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.442 -0.786 . . . . 0.0 110.591 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.47 -45.68 86.35 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.473 -1.691 . . . . 0.0 107.214 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 tp -54.55 -44.15 72.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.269 -1.519 . . . . 0.0 110.221 -178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.97 -46.3 55.66 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 121.051 -1.031 . . . . 0.0 111.064 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -89.8 -35.08 15.9 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.562 -1.552 . . . . 0.0 112.055 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -22.05 66.9 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.736 -1.227 . . . . 0.0 108.54 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.93 52.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -32.17 65.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -1.084 . . . . 0.0 110.116 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.41 77.02 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.349 -0.844 . . . . 0.0 111.142 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.87 -39.12 93.36 Favored Glycine 0 N--CA 1.489 2.21 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.5 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -71.11 -24.19 62.24 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.8 0.809 . . . . 0.0 112.824 -177.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -89.01 -38.9 14.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.445 -0.784 . . . . 0.0 110.0 -179.185 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.736 0 N-CA-C 108.236 -1.945 . . . . 0.0 108.236 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -30.14 71.34 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.721 -0.87 . . . . 0.0 110.713 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.41 -47.58 22.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.434 -0.791 . . . . 0.0 110.083 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -65.63 -46.26 79.92 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 117.354 -1.738 . . . . 0.0 106.9 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.28 -44.08 75.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 119.97 -1.706 . . . . 0.0 109.754 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.37 -45.28 65.76 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 120.334 -0.936 . . . . 0.0 110.877 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -89.64 -35.82 15.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.449 -1.618 . . . . 0.0 112.065 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.0 -17.33 64.61 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.739 -1.226 . . . . 0.0 108.801 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.61 -40.3 38.7 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -31.16 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.335 -1.097 . . . . 0.0 109.644 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -50.13 73.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.489 -0.757 . . . . 0.0 111.174 -178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.22 -39.69 92.32 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.835 -1.165 . . . . 0.0 111.564 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -70.66 -24.45 62.7 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.935 0.874 . . . . 0.0 112.471 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 p -89.07 -38.94 13.99 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.538 -0.726 . . . . 0.0 110.178 -179.274 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.939 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.26 70.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.774 -0.839 . . . . 0.0 110.471 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.0 -46.84 22.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.56 -0.712 . . . . 0.0 109.753 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -63.98 -48.34 76.83 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 117.757 -1.577 . . . . 0.0 107.288 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.29 -43.04 82.83 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.209 -1.557 . . . . 0.0 109.908 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.09 -45.4 62.89 Favored Glycine 0 N--CA 1.493 2.442 0 C-N-CA 120.132 -1.032 . . . . 0.0 110.806 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -88.57 -34.79 17.23 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.494 -1.592 . . . . 0.0 112.238 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -18.09 65.1 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.748 -1.22 . . . . 0.0 109.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.29 56.0 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.51 64.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -1.09 . . . . 0.0 109.862 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.88 -50.25 72.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 111.389 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.38 93.38 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.845 -1.169 . . . . 0.0 111.56 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 m -70.67 -24.2 62.64 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.929 0.871 . . . . 0.0 112.648 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.91 -38.97 14.12 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.521 0.676 . . . . 0.0 109.218 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.9 mtt . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.53 -0.731 . . . . 0.0 110.243 -179.254 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.555 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.52 71.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.696 -0.885 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.6 tp -76.42 -46.26 27.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.601 -0.687 . . . . 0.0 109.897 -179.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -64.42 -47.36 79.42 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.695 -1.602 . . . . 0.0 106.953 177.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.3 mt -57.5 -43.26 84.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.331 -1.481 . . . . 0.0 110.247 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -44.75 71.8 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 120.137 -1.03 . . . . 0.0 110.756 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -88.51 -34.94 17.24 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.45 -1.618 . . . . 0.0 112.165 -179.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -17.12 64.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.746 -1.221 . . . . 0.0 109.044 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.08 -40.85 49.82 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.96 -31.44 62.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.327 -1.102 . . . . 0.0 109.693 -179.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.82 74.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.436 -0.79 . . . . 0.0 111.25 -178.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.38 -39.41 91.64 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.806 -1.188 . . . . 0.0 111.569 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -70.87 -24.61 62.53 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.974 0.892 . . . . 0.0 112.666 -176.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -88.91 -38.65 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.4 mtt . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.51 -0.744 . . . . 0.0 110.214 -179.148 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.664 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.57 -30.72 71.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.658 -0.907 . . . . 0.0 110.966 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.48 -45.58 30.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.529 -0.732 . . . . 0.0 110.417 -179.192 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.11 -46.86 82.3 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.036 177.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.21 -43.35 82.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.474 -1.392 . . . . 0.0 110.554 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.47 -45.33 66.7 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.809 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -88.7 -34.64 17.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.443 -1.622 . . . . 0.0 112.166 -179.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -18.11 65.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.734 -1.228 . . . . 0.0 108.97 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.35 -40.5 54.92 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.06 62.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -1.095 . . . . 0.0 109.708 -179.292 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -50.68 70.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 111.435 -178.14 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.79 93.64 Favored Glycine 0 N--CA 1.491 2.3 0 C-N-CA 119.875 -1.155 . . . . 0.0 111.42 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 t -70.74 -24.14 62.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.984 0.897 . . . . 0.0 112.453 -177.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.3 m -88.95 -39.47 13.72 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.56 0.695 . . . . 0.0 109.192 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.493 -0.754 . . . . 0.0 110.288 -179.044 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.218 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.75 73.0 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 122.177 -0.602 . . . . 0.0 111.339 -179.698 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.93 -45.39 27.96 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.243 -0.911 . . . . 0.0 110.572 -179.088 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -63.09 -45.6 91.34 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.952 177.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.1 -43.85 87.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.506 -1.371 . . . . 0.0 110.51 -178.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.03 -46.29 69.96 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.384 -178.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.58 -35.42 18.11 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.307 -1.702 . . . . 0.0 112.575 -178.412 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -14.43 59.44 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.751 -1.218 . . . . 0.0 108.932 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.09 -42.41 24.41 Favored Glycine 0 N--CA 1.494 2.52 0 O-C-N 120.84 -1.163 . . . . 0.0 110.507 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -32.74 62.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.144 -1.209 . . . . 0.0 109.695 -179.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.17 82.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.69 -0.631 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.67 93.09 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.864 -1.16 . . . . 0.0 111.147 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 p -71.17 -24.41 62.24 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.743 0.783 . . . . 0.0 112.71 -177.181 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.5 m -88.8 -39.13 14.11 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.572 0.701 . . . . 0.0 109.229 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.417 0.627 . . . . 0.0 109.622 -179.28 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.052 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.75 71.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 122.147 -0.619 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.18 -46.86 21.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -0.768 . . . . 0.0 110.308 -179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -63.54 -46.48 85.78 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 117.673 -1.611 . . . . 0.0 107.025 177.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.66 -43.51 85.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.464 -1.398 . . . . 0.0 110.282 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.46 70.92 Favored Glycine 0 N--CA 1.491 2.305 0 O-C-N 121.149 -0.969 . . . . 0.0 111.068 -178.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -87.67 -34.55 18.4 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.361 -1.67 . . . . 0.0 112.54 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -18.68 63.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.703 -1.248 . . . . 0.0 108.502 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.74 -1.5 90.22 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.22 -39.13 13.74 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 122.402 1.096 . . . . 0.0 108.386 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.16 81.28 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.171 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.51 -39.55 94.03 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.779 -1.201 . . . . 0.0 111.112 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -71.08 -24.05 62.24 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.915 0.864 . . . . 0.0 112.5 -177.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -88.98 -39.57 13.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.721 0.772 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.5 mtt . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.198 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.908 0 N-CA-C 108.051 -2.02 . . . . 0.0 108.051 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.78 70.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 122.034 -0.686 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -76.91 -48.03 19.39 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.268 -179.027 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -63.95 -46.53 84.26 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 117.573 -1.651 . . . . 0.0 106.783 177.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.71 -43.79 80.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.454 -1.403 . . . . 0.0 110.092 -178.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.67 64.63 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.178 -0.952 . . . . 0.0 110.962 -179.039 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -88.83 -35.23 16.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.318 -1.696 . . . . 0.0 112.267 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -18.2 65.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.621 -1.3 . . . . 0.0 108.867 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.49 -40.46 54.27 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -31.6 63.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.425 -1.044 . . . . 0.0 109.595 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.62 70.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.522 -0.736 . . . . 0.0 111.203 -178.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.8 93.74 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.825 -1.178 . . . . 0.0 111.283 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.7 t -70.73 -24.24 62.6 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.887 0.851 . . . . 0.0 112.413 -177.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -88.96 -39.44 13.73 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.621 0.724 . . . . 0.0 109.163 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.543 -0.723 . . . . 0.0 110.146 -179.261 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.129 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.4 71.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.951 -0.735 . . . . 0.0 110.649 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -76.91 -46.09 25.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.251 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -63.59 -47.18 82.54 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 117.557 -1.657 . . . . 0.0 107.138 177.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.82 -43.52 85.83 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.419 -1.426 . . . . 0.0 110.839 -178.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.41 71.01 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.216 -0.993 . . . . 0.0 111.074 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -87.59 -34.74 18.42 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.296 -1.708 . . . . 0.0 112.528 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -18.13 62.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.754 -1.217 . . . . 0.0 108.587 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.37 -1.85 90.25 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.18 13.56 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 122.353 1.073 . . . . 0.0 108.452 178.095 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.78 82.98 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.222 -178.004 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.31 93.81 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.826 -1.178 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.16 -23.95 62.15 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.961 0.886 . . . . 0.0 112.569 -177.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.3 m -88.85 -39.5 13.8 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.716 0.769 . . . . 0.0 109.382 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.519 -0.738 . . . . 0.0 109.999 -179.23 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.19 0 N-CA-C 108.884 -1.687 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.35 72.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 122.081 -0.658 . . . . 0.0 110.902 -179.718 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.73 -45.83 27.78 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.36 -0.837 . . . . 0.0 110.71 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.88 -46.73 83.61 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 117.374 -1.731 . . . . 0.0 107.132 177.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.8 mt -55.88 -43.63 77.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.282 -1.511 . . . . 0.0 110.408 -178.673 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.96 -46.38 61.02 Favored Glycine 0 N--CA 1.49 2.271 0 O-C-N 121.144 -0.973 . . . . 0.0 110.977 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -89.0 -35.65 16.27 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.447 -1.619 . . . . 0.0 112.299 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -18.3 64.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.778 -1.201 . . . . 0.0 108.643 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.99 -41.17 33.3 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.36 63.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -1.21 . . . . 0.0 109.755 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.656 -0.653 . . . . 0.0 110.889 -178.175 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.21 -39.53 92.33 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.35 -179.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.3 m -71.01 -24.73 62.43 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.731 0.777 . . . . 0.0 112.798 -177.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -88.7 -38.95 14.35 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 ttt . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.549 -0.719 . . . . 0.0 109.823 -179.348 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.015 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.02 71.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 122.038 -0.683 . . . . 0.0 110.969 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 mt -76.87 -46.23 25.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 0.0 110.298 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -63.9 -46.43 84.87 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 117.612 -1.635 . . . . 0.0 106.985 177.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.21 -43.82 78.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.463 -1.398 . . . . 0.0 110.291 -178.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.83 -45.66 60.88 Favored Glycine 0 N--CA 1.491 2.354 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.006 -178.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -88.95 -34.82 16.76 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.447 -1.62 . . . . 0.0 112.175 -179.161 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -19.44 65.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.667 -1.271 . . . . 0.0 108.859 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.05 -39.79 57.94 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.75 65.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.47 -1.018 . . . . 0.0 109.931 -179.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -50.87 70.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -0.759 . . . . 0.0 111.348 -178.006 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.53 94.15 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.772 -1.204 . . . . 0.0 111.152 -178.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -70.79 -23.95 62.48 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.983 0.897 . . . . 0.0 112.462 -177.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -89.07 -39.64 13.5 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.652 -0.655 . . . . 0.0 110.068 -179.079 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.655 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.24 70.93 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.539 -0.977 . . . . 0.0 110.645 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.9 tp -76.61 -46.36 26.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.567 -0.708 . . . . 0.0 110.157 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -64.52 -48.06 76.54 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 117.693 -1.603 . . . . 0.0 107.128 177.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.65 -43.21 84.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.315 -1.491 . . . . 0.0 109.758 -178.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.4 -45.58 65.63 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.811 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -88.41 -35.08 17.29 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.371 -1.664 . . . . 0.0 112.278 -178.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -16.8 64.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.743 -1.223 . . . . 0.0 109.015 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.51 -40.46 54.17 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.72 63.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -1.093 . . . . 0.0 109.776 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -50.49 71.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.56 -0.713 . . . . 0.0 111.399 -178.06 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.4 93.6 Favored Glycine 0 N--CA 1.49 2.239 0 C-N-CA 119.844 -1.169 . . . . 0.0 111.355 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -70.89 -24.06 62.41 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.997 0.903 . . . . 0.0 112.446 -177.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -88.77 -39.44 13.92 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.598 0.713 . . . . 0.0 109.233 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.497 -0.752 . . . . 0.0 110.128 -179.16 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.134 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.93 73.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 122.101 -0.647 . . . . 0.0 111.323 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.07 -45.29 27.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.309 -0.869 . . . . 0.0 110.011 -179.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.23 -46.14 85.14 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 117.416 -1.714 . . . . 0.0 107.176 177.606 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.91 -43.82 77.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.336 -1.478 . . . . 0.0 109.947 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.05 -45.54 62.35 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.946 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -88.79 -35.04 16.87 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.466 -1.608 . . . . 0.0 112.133 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -22.21 65.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.832 -1.167 . . . . 0.0 108.108 179.681 . . . . . . . . 2 2 . 1 . 030 nuclear orig core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.32 -1.52 90.09 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.39 -39.23 13.55 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 122.338 1.066 . . . . 0.0 108.47 178.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.131 -178.015 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.63 -39.09 93.72 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.372 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -71.11 -24.43 62.29 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.85 0.833 . . . . 0.0 112.906 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -88.97 -39.05 14.0 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.64 0.733 . . . . 0.0 109.233 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtt . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 109.987 -179.184 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.441 0.639 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 t 55.25 47.62 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.477 -0.764 . . . . 0.0 110.12 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.4 -77.97 1.32 Allowed Glycine 0 N--CA 1.502 3.065 0 O-C-N 120.736 -1.227 . . . . 0.0 111.259 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.4 mt -67.4 -25.02 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.371 -1.076 . . . . 0.0 109.238 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -48.64 -27.07 5.81 Favored Glycine 0 N--CA 1.502 3.092 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.83 71.89 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.992 -0.711 . . . . 0.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.11 -44.36 38.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 110.901 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -64.01 -46.42 84.57 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 117.443 -1.703 . . . . 0.0 107.058 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 1.1 tt -55.95 -45.12 78.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.318 -1.489 . . . . 0.0 110.254 -178.647 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.21 -47.11 62.03 Favored Glycine 0 N--CA 1.491 2.33 0 O-C-N 121.143 -0.973 . . . . 0.0 111.78 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -88.0 -35.65 17.47 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.178 -1.778 . . . . 0.0 112.844 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.63 -14.97 49.32 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.698 -1.251 . . . . 0.0 108.64 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.53 -1.47 89.21 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.32 -38.85 13.86 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 122.304 1.05 . . . . 0.0 108.571 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.42 84.64 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.322 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.54 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.699 -1.238 . . . . 0.0 111.279 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -71.11 -23.99 62.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.927 0.87 . . . . 0.0 112.672 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.5 m -88.68 -39.07 14.28 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.55 0.69 . . . . 0.0 109.35 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.3 ttt -77.07 -13.79 59.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.544 -0.723 . . . . 0.0 109.933 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.8 -28.62 56.57 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.79 -31.6 66.77 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.269 -1.136 . . . . 0.0 109.64 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.69 -0.58 9.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.182 -0.949 . . . . 0.0 109.44 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.0 p -80.12 43.35 0.61 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.411 -0.806 . . . . 0.0 109.408 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.53 ' N ' ' SD ' ' A' ' 25' ' ' MET . 1.8 mpt? 50.46 90.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.483 -0.76 . . . . 0.0 109.958 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.5 p -69.64 7.06 0.93 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.907 . . . . 0.0 109.551 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.467 ' H ' ' C ' ' A' ' 25' ' ' MET . 8.4 mp -59.69 -80.19 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.168 -0.957 . . . . 0.0 108.912 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 m -164.9 -23.02 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.192 -0.943 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.8 147.68 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.299 -0.876 . . . . 0.0 109.476 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -67.27 -95.95 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 0.0 109.467 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.903 . . . . 0.0 109.434 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 t 63.7 -59.38 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 121.007 0.432 . . . . 0.0 109.942 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.484 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 173.69 -157.06 25.15 Favored Glycine 0 N--CA 1.487 2.035 0 O-C-N 120.952 -1.092 . . . . 0.0 112.329 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 tp -65.89 -33.03 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.365 0.603 . . . . 0.0 110.842 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.82 -30.47 21.78 Favored Glycine 0 N--CA 1.502 3.083 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.48 72.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.778 -0.837 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.87 -42.56 48.96 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.122 -0.986 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -61.95 -48.18 81.55 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 117.592 -1.643 . . . . 0.0 106.837 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 mt -58.88 -43.36 90.92 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.437 -1.414 . . . . 0.0 110.956 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.27 -46.79 70.58 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.236 -0.915 . . . . 0.0 111.557 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -87.27 -34.88 18.76 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 119.866 1.833 . . . . 0.0 112.69 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.21 -13.69 40.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.752 -1.217 . . . . 0.0 108.86 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.61 -1.87 90.04 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.18 -39.39 13.6 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.387 1.089 . . . . 0.0 108.517 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.69 83.36 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.131 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.23 93.99 Favored Glycine 0 N--CA 1.49 2.299 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.077 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -71.19 -24.03 62.15 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.865 0.84 . . . . 0.0 112.598 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.422 ' C ' ' H ' ' A' ' 21' ' ' GLY . 38.8 m -88.93 -39.51 13.71 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.673 0.749 . . . . 0.0 109.319 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 mtt -77.12 18.55 0.37 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.008 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.422 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -67.3 -14.85 64.82 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.817 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.502 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.46 -55.5 7.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.313 -1.11 . . . . 0.0 109.365 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.74 36.13 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.188 -0.945 . . . . 0.0 109.787 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.502 ' H ' ' C ' ' A' ' 22' ' ' ALA . 32.3 t -160.08 52.74 0.33 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.163 -0.96 . . . . 0.0 109.468 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.1 mtt 53.79 100.39 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.323 -0.861 . . . . 0.0 110.066 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.8 p -57.37 -176.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.136 -0.978 . . . . 0.0 109.487 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -67.8 -73.06 0.15 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.293 -0.879 . . . . 0.0 109.388 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 t -172.97 16.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.3 176.97 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.0 109.532 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -59.12 131.55 51.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.215 -0.928 . . . . 0.0 109.425 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.297 0.57 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.8 t 55.07 102.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.503 -0.748 . . . . 0.0 110.35 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.95 21.19 0.02 OUTLIER Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.004 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.9 mt -67.39 -29.29 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.649 -1.501 . . . . 0.0 108.748 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.04 -32.3 42.1 Favored Glycine 0 N--CA 1.498 2.808 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.48 71.63 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.938 -0.743 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.63 -47.0 23.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.803 . . . . 0.0 110.123 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -63.89 -46.17 86.09 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.682 -1.607 . . . . 0.0 107.028 177.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.11 -43.7 78.37 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.358 -1.464 . . . . 0.0 110.433 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.63 -45.97 59.5 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.231 -0.985 . . . . 0.0 111.104 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -89.14 -34.38 16.73 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.499 -1.589 . . . . 0.0 111.88 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.93 -19.71 65.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.629 -1.295 . . . . 0.0 108.877 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.62 -39.71 55.34 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.54 64.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.431 -1.041 . . . . 0.0 109.895 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.5 71.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.398 -0.814 . . . . 0.0 111.365 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.16 93.53 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.819 -1.175 . . . . 0.0 111.542 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.6 t -70.75 -24.28 62.59 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.897 0.856 . . . . 0.0 112.626 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p -88.89 -38.85 14.23 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.8 mmt -77.76 13.31 1.37 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.972 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.16 -33.0 84.45 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.45 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.4 -2.47 16.63 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.217 -1.166 . . . . 0.0 109.47 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 7.47 1.32 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.243 -0.911 . . . . 0.0 109.4 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.45 ' H ' ' C ' ' A' ' 22' ' ' ALA . 43.3 m -79.6 45.16 0.66 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.388 -0.82 . . . . 0.0 109.477 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.2 mtt 51.51 84.39 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.0 p -65.24 139.64 58.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.938 . . . . 0.0 109.421 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 8.5 mp -59.81 90.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.33 -0.856 . . . . 0.0 108.869 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.0 p -65.86 111.0 3.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -0.904 . . . . 0.0 109.539 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.75 -163.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.227 -0.92 . . . . 0.0 109.497 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 16.2 mp0 -59.16 170.34 0.93 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.25 -0.907 . . . . 0.0 109.512 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t 52.25 -93.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.311 -0.868 . . . . 0.0 109.185 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 170.96 87.4 0.07 OUTLIER Glycine 0 N--CA 1.491 2.315 0 O-C-N 121.146 -0.971 . . . . 0.0 111.734 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.9 mt -67.53 -25.05 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.043 -1.269 . . . . 0.0 107.935 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.6 -28.78 16.4 Favored Glycine 0 N--CA 1.499 2.85 0 N-CA-C 108.534 -1.827 . . . . 0.0 108.534 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.06 72.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.843 -0.798 . . . . 0.0 111.099 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.38 -44.64 35.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.382 -0.824 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.36 -47.33 76.79 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 117.428 -1.709 . . . . 0.0 107.228 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -54.68 -43.8 72.8 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.007 -1.683 . . . . 0.0 109.555 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.33 -45.84 57.97 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.203 -0.998 . . . . 0.0 110.817 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -90.08 -35.54 15.4 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.485 -1.597 . . . . 0.0 112.139 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.51 -19.08 65.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.627 -1.296 . . . . 0.0 108.71 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.32 -39.23 52.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.41 64.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.52 -0.988 . . . . 0.0 109.983 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.07 69.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.53 94.2 Favored Glycine 0 N--CA 1.49 2.297 0 C-N-CA 119.837 -1.173 . . . . 0.0 111.276 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.78 -23.87 62.47 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.04 0.924 . . . . 0.0 112.421 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -88.87 -39.49 13.78 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.551 0.691 . . . . 0.0 109.269 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.6 mmt -77.81 9.9 3.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.626 -0.671 . . . . 0.0 110.098 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.09 -20.93 71.41 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.646 -1.381 . . . . 0.0 109.646 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.52 -9.86 58.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -1.14 . . . . 0.0 109.467 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.07 -1.45 12.3 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 0.0 109.512 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.7 t -79.92 39.35 0.43 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.357 -0.84 . . . . 0.0 109.408 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.3 mtt 52.13 31.8 9.54 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.367 -0.833 . . . . 0.0 110.033 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.9 p -70.63 -33.31 70.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.132 -0.98 . . . . 0.0 109.423 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.77 -2.08 6.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 109.423 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.8 m -61.22 -20.89 63.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m -59.82 -164.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.219 -0.926 . . . . 0.0 109.485 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.419 ' N ' ' CD ' ' A' ' 30' ' ' GLN . 8.5 mp0 -63.58 172.26 2.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.92 . . . . 0.0 109.338 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.438 -0.789 . . . . 0.0 109.89 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t 52.31 -95.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.38 -0.825 . . . . 0.0 108.957 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.517 ' C ' ' H ' ' A' ' 6' ' ' GLY . . . 172.77 -122.42 0.93 Allowed Glycine 0 N--CA 1.488 2.159 0 C-N-CA 120.209 -0.996 . . . . 0.0 112.139 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' C ' ' N ' ' A' ' 7' ' ' ALA . 36.8 pt -71.09 20.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.809 -0.818 . . . . 0.0 110.889 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.517 ' H ' ' C ' ' A' ' 4' ' ' GLY . . . -46.47 -25.51 2.09 Favored Glycine 0 N--CA 1.504 3.226 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 5' ' ' ILE . . . -63.64 -29.79 70.99 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.329 0.585 . . . . 0.0 110.659 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 tp -76.47 -46.26 27.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.319 -0.863 . . . . 0.0 110.729 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -63.57 -46.21 86.91 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 117.413 -1.715 . . . . 0.0 107.197 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.1 mt -56.57 -43.92 80.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.484 -1.385 . . . . 0.0 110.695 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.7 -47.77 63.46 Favored Glycine 0 N--CA 1.491 2.351 0 O-C-N 121.136 -0.978 . . . . 0.0 111.464 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -88.19 -36.63 16.7 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 119.862 1.831 . . . . 0.0 112.778 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.61 -11.37 43.81 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.652 -1.28 . . . . 0.0 109.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.32 -41.73 16.4 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.34 61.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.19 -1.182 . . . . 0.0 109.703 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.13 82.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.84 -0.537 . . . . 0.0 110.706 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.46 92.45 Favored Glycine 0 N--CA 1.488 2.159 0 C-N-CA 119.786 -1.197 . . . . 0.0 111.252 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.22 -24.41 62.2 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.732 0.777 . . . . 0.0 112.714 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 m -88.79 -39.43 13.9 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.666 0.746 . . . . 0.0 109.326 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt -77.51 5.57 8.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.695 -0.628 . . . . 0.0 109.866 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.07 -2.85 89.27 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.31 -37.7 71.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.288 -1.125 . . . . 0.0 109.57 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.31 7.9 1.18 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.286 -0.884 . . . . 0.0 109.397 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 22' ' ' ALA . 29.5 t -79.43 42.49 0.51 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.418 -0.801 . . . . 0.0 109.541 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.0 tpt 53.1 92.84 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.24 -0.912 . . . . 0.0 109.773 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.468 ' C ' ' H ' ' A' ' 28' ' ' THR . 42.8 p -69.14 138.02 53.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.235 -0.915 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.486 ' CD2' ' N ' ' A' ' 27' ' ' LEU . 3.0 mm? -71.4 8.47 1.04 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 0.0 108.902 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.468 ' H ' ' C ' ' A' ' 26' ' ' THR . 8.4 p 53.03 -147.8 0.46 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.173 -0.954 . . . . 0.0 109.803 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.6 t -57.95 133.5 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.936 . . . . 0.0 109.557 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.2 165.27 14.08 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.246 -0.909 . . . . 0.0 109.386 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.201 -0.937 . . . . 0.0 109.51 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.519 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.0 t 58.69 -0.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.567 -0.708 . . . . 0.0 110.023 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.519 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -88.61 68.1 2.92 Favored Glycine 0 N--CA 1.497 2.713 0 O-C-N 120.743 -1.223 . . . . 0.0 111.514 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.8 pt -67.24 -28.28 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.104 -1.233 . . . . 0.0 108.506 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.21 -29.71 16.2 Favored Glycine 0 N--CA 1.501 3.005 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.07 71.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 122.018 -0.695 . . . . 0.0 110.683 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.1 tt -76.42 -47.35 23.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.379 -0.826 . . . . 0.0 109.943 -179.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -64.31 -46.0 85.46 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 117.404 -1.718 . . . . 0.0 106.92 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.77 -45.38 82.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.199 -1.563 . . . . 0.0 109.867 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.22 -47.2 56.07 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -89.4 -34.96 16.3 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.552 -1.558 . . . . 0.0 111.453 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.75 -18.97 65.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.914 -1.117 . . . . 0.0 109.118 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.73 -39.3 48.66 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.01 63.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.488 -1.007 . . . . 0.0 109.926 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.455 -0.778 . . . . 0.0 111.357 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.49 93.67 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.888 -1.148 . . . . 0.0 111.466 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -70.87 -23.96 62.41 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.007 0.908 . . . . 0.0 112.438 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -88.69 -39.28 14.11 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.564 0.697 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.416 ' C ' ' H ' ' A' ' 22' ' ' ALA . 79.4 mtp -77.84 -5.76 51.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.562 -0.711 . . . . 0.0 110.138 -179.179 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.71 5.94 10.37 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.461 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.91 -34.42 69.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.179 -1.189 . . . . 0.0 109.606 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 8.46 1.01 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.22 -0.925 . . . . 0.0 109.59 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.461 ' H ' ' C ' ' A' ' 22' ' ' ALA . 34.4 t -79.68 40.3 0.44 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.919 . . . . 0.0 109.524 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 53.7 mtm 51.45 -155.79 0.14 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.251 -0.906 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.2 p -68.19 85.73 0.26 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 109.38 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt 56.06 171.08 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.33 -0.856 . . . . 0.0 109.606 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.4 p -69.74 167.6 16.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.226 -0.921 . . . . 0.0 109.503 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' ALA . 35.9 t -67.81 89.84 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.269 -0.894 . . . . 0.0 109.433 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -62.08 82.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.0 109.523 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.241 -0.912 . . . . 0.0 109.368 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 t 56.19 16.37 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-O 122.057 0.932 . . . . 0.0 109.009 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 127.33 1.0 Allowed Glycine 0 N--CA 1.488 2.144 0 O-C-N 121.427 -0.796 . . . . 0.0 111.179 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.9 mt -67.49 -19.06 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -48.46 -26.28 5.01 Favored Glycine 0 N--CA 1.502 3.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.97 73.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.956 -0.732 . . . . 0.0 111.503 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.89 -44.74 30.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.197 -0.939 . . . . 0.0 110.727 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.76 -44.02 91.41 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 117.46 -1.696 . . . . 0.0 107.009 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.98 -43.87 86.8 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.296 -1.503 . . . . 0.0 109.852 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.06 61.38 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 121.212 -0.93 . . . . 0.0 110.812 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -88.23 -33.63 18.04 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.516 -1.579 . . . . 0.0 111.439 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.66 -22.31 66.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.985 -1.072 . . . . 0.0 108.757 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.38 -40.38 55.05 Favored Glycine 0 N--CA 1.492 2.37 0 O-C-N 121.093 -1.004 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.9 -32.42 65.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.063 -1.257 . . . . 0.0 109.949 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.94 74.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.443 -0.786 . . . . 0.0 111.204 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.11 94.0 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.809 -1.186 . . . . 0.0 111.32 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.99 -23.96 62.3 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.901 0.857 . . . . 0.0 112.726 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.437 ' C ' ' H ' ' A' ' 21' ' ' GLY . 41.2 m -88.86 -39.42 13.84 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.569 0.7 . . . . 0.0 109.371 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.4 mtt -77.36 23.72 0.2 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.591 -0.693 . . . . 0.0 109.907 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.437 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -68.6 -50.49 36.63 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.485 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.37 -37.86 71.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.164 -1.198 . . . . 0.0 109.622 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 25' ' ' MET . . . -72.71 18.1 0.1 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.285 -0.884 . . . . 0.0 109.905 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.485 ' H ' ' C ' ' A' ' 22' ' ' ALA . 43.0 m -78.76 35.52 0.24 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.189 -0.944 . . . . 0.0 109.581 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.427 ' H ' ' C ' ' A' ' 23' ' ' ALA . 21.9 ttt 51.56 88.15 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.388 -0.82 . . . . 0.0 110.128 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -69.12 111.1 4.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 0.0 109.354 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 tp -170.1 -47.59 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.311 -0.868 . . . . 0.0 109.017 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -57.59 139.5 53.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.567 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.9 t -66.9 85.36 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.208 -0.932 . . . . 0.0 109.462 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 52.38 -158.28 0.13 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.422 -0.799 . . . . 0.0 109.843 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.309 -0.87 . . . . 0.0 109.47 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 t 59.5 124.74 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.841 0.829 . . . . 0.0 110.945 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.08 -119.93 0.76 Allowed Glycine 0 N--CA 1.489 2.195 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.722 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 94.4 mt -68.0 -14.98 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.758 -0.848 . . . . 0.0 108.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.85 -27.19 4.66 Favored Glycine 0 N--CA 1.502 3.073 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.72 70.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 122.133 -0.628 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -76.75 -47.45 21.73 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.228 -0.92 . . . . 0.0 110.614 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.03 -44.3 92.95 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.53 -1.668 . . . . 0.0 106.872 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.45 -44.84 89.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.395 -1.441 . . . . 0.0 110.246 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.37 57.53 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.239 -0.913 . . . . 0.0 110.928 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -87.67 -33.36 18.81 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.348 -1.677 . . . . 0.0 111.416 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.3 -21.76 64.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.008 -1.057 . . . . 0.0 108.418 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.72 -1.39 90.18 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.48 13.37 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.371 -1.076 . . . . 0.0 108.571 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.73 83.21 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.248 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.03 94.0 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.756 -1.211 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.1 t -71.18 -23.85 62.12 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.859 0.838 . . . . 0.0 112.695 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -89.01 -39.38 13.73 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.659 0.743 . . . . 0.0 109.404 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.5 mtt -77.4 5.96 7.8 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.791 . . . . 0.0 109.972 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.11 -13.39 81.06 Favored Glycine 0 N--CA 1.496 2.669 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.447 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.7 -31.44 66.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.27 -1.135 . . . . 0.0 109.607 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.64 5.6 1.81 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.151 -0.968 . . . . 0.0 109.387 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.447 ' H ' ' C ' ' A' ' 22' ' ' ALA . 27.9 m -79.94 75.52 6.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.381 -0.825 . . . . 0.0 109.466 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.2 ttt 53.01 99.46 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.428 -0.795 . . . . 0.0 110.002 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.4 m -164.51 -17.75 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.251 -0.906 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -169.54 -53.84 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.168 -0.957 . . . . 0.0 108.941 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.6 p -61.21 127.13 30.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.222 -0.924 . . . . 0.0 109.418 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.472 ' C ' ' H ' ' A' ' 31' ' ' ALA . 22.7 t -58.8 144.57 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.426 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -70.06 8.62 0.7 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.274 -0.891 . . . . 0.0 109.657 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.472 ' H ' ' C ' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.204 -0.935 . . . . 0.0 109.45 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t 60.27 147.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.962 0.887 . . . . 0.0 110.264 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.14 177.75 44.46 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.0 pt -68.84 -3.31 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.903 -0.763 . . . . 0.0 109.087 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.18 -25.65 1.93 Allowed Glycine 0 N--CA 1.504 3.218 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.83 71.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 122.064 -0.668 . . . . 0.0 110.678 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.79 -47.42 21.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.362 -0.836 . . . . 0.0 110.425 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -64.28 -46.05 85.37 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 117.509 -1.677 . . . . 0.0 107.193 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.88 -44.21 77.95 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.481 -1.387 . . . . 0.0 110.188 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.92 -46.11 61.01 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.297 -0.954 . . . . 0.0 110.95 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -88.58 -35.09 17.09 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.403 -1.645 . . . . 0.0 112.197 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.07 -20.99 64.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.707 -1.246 . . . . 0.0 108.144 179.814 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.47 90.26 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.45 -39.32 13.44 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.39 -1.065 . . . . 0.0 108.364 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.45 84.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.08 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.43 93.73 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.761 -1.209 . . . . 0.0 111.118 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -71.17 -24.13 62.18 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.817 0.818 . . . . 0.0 112.647 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.412 ' C ' ' H ' ' A' ' 21' ' ' GLY . 38.6 m -89.06 -39.68 13.49 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.631 0.729 . . . . 0.0 109.282 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 mmt -77.18 15.76 0.68 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.924 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.412 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -73.1 -33.57 59.27 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.411 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -72.13 -47.01 54.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.165 -1.197 . . . . 0.0 109.554 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.01 4.28 2.77 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.883 . . . . 0.0 109.62 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.411 ' H ' ' C ' ' A' ' 22' ' ' ALA . 48.8 p -79.56 59.56 3.02 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.315 -0.866 . . . . 0.0 109.35 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 52.2 mtm 51.81 91.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.235 -0.915 . . . . 0.0 109.94 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -57.85 143.88 40.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.597 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.11 -59.32 3.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -0.868 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 p -64.26 168.46 5.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 109.474 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.446 ' C ' ' H ' ' A' ' 31' ' ' ALA . 33.0 t -62.08 153.6 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -0.909 . . . . 0.0 109.397 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -57.35 -7.7 0.63 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.112 -0.992 . . . . 0.0 109.562 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . 0.446 ' H ' ' C ' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.234 -0.916 . . . . 0.0 109.485 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.285 0.564 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t 53.95 37.5 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.304 -0.873 . . . . 0.0 109.482 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.76 69.49 3.08 Favored Glycine 0 N--CA 1.495 2.597 0 O-C-N 120.973 -1.079 . . . . 0.0 111.404 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 tt -67.09 -27.89 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.091 -1.241 . . . . 0.0 108.313 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.53 -28.42 10.12 Favored Glycine 0 N--CA 1.501 2.978 0 N-CA-C 108.43 -1.868 . . . . 0.0 108.43 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.73 -31.61 72.57 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.985 -0.715 . . . . 0.0 111.154 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 mt -76.85 -45.3 28.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.89 -45.77 84.54 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 117.396 -1.721 . . . . 0.0 107.151 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.74 -44.0 69.56 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.263 -1.523 . . . . 0.0 110.026 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.37 -45.71 52.74 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.146 -1.026 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -90.8 -34.66 15.22 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.74 -1.447 . . . . 0.0 111.644 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.13 -25.91 67.96 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.671 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.74 -39.65 59.64 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.22 -31.39 63.45 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.45 -1.03 . . . . 0.0 109.902 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.98 74.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.4 -0.813 . . . . 0.0 111.293 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.54 93.11 Favored Glycine 0 N--CA 1.49 2.246 0 O-C-N 120.833 -1.167 . . . . 0.0 111.444 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.984 0.897 . . . . 0.0 112.695 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.93 -38.93 14.13 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.1 mmt -77.78 -33.55 52.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.81 . . . . 0.0 110.04 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.55 -44.29 33.57 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.44 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.38 -1.46 13.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -1.147 . . . . 0.0 109.44 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 25' ' ' MET . . . -71.12 5.46 2.1 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.913 . . . . 0.0 109.429 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.44 ' H ' ' C ' ' A' ' 22' ' ' ALA . 98.3 p -79.64 31.01 0.24 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.455 -0.778 . . . . 0.0 109.352 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.427 ' H ' ' C ' ' A' ' 23' ' ' ALA . 25.9 ttt 52.45 74.06 0.3 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.405 -0.81 . . . . 0.0 109.903 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.7 p -70.59 127.88 34.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -0.968 . . . . 0.0 109.391 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.97 -19.56 65.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.0 109.196 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 t -171.84 143.35 1.63 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 109.374 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -69.77 138.33 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.157 -0.964 . . . . 0.0 109.538 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -77.82 133.89 38.1 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.249 -0.907 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.305 -0.872 . . . . 0.0 109.524 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t 52.6 -99.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.912 . . . . 0.0 108.905 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.46 57.5 0.04 OUTLIER Glycine 0 N--CA 1.49 2.292 0 O-C-N 121.093 -1.004 . . . . 0.0 111.758 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.36 -30.11 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.872 -1.37 . . . . 0.0 108.653 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.25 -31.72 35.04 Favored Glycine 0 N--CA 1.499 2.835 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.48 70.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.723 -0.869 . . . . 0.0 110.586 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.62 -46.43 26.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.705 . . . . 0.0 110.029 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.3 t80 -64.6 -48.38 75.14 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 117.641 -1.624 . . . . 0.0 107.167 177.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.02 -43.38 81.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.299 -1.5 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.08 -45.35 62.8 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.692 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -88.7 -34.89 17.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.431 -1.629 . . . . 0.0 112.192 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.1 -18.46 65.36 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.784 -1.197 . . . . 0.0 108.957 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -40.26 58.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.41 63.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -1.055 . . . . 0.0 109.762 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.95 69.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.786 . . . . 0.0 111.376 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.8 93.68 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.87 -1.157 . . . . 0.0 111.333 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 t -70.58 -24.17 62.71 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.938 0.875 . . . . 0.0 112.364 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 m -88.88 -39.26 13.95 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.535 0.683 . . . . 0.0 109.25 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 tpt -78.23 -33.89 49.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.643 -0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.59 -41.16 44.68 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.43 63.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -1.146 . . . . 0.0 109.508 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 -0.76 10.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.882 . . . . 0.0 109.504 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.4 t -160.6 29.12 0.16 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.385 -0.822 . . . . 0.0 109.313 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.518 ' N ' ' SD ' ' A' ' 25' ' ' MET . 1.8 mpt? 51.22 -179.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.494 -0.754 . . . . 0.0 110.105 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.0 p -83.79 115.52 22.27 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.269 -0.894 . . . . 0.0 109.523 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -165.82 5.62 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.244 -0.91 . . . . 0.0 109.183 179.818 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 50.2 p -68.43 118.21 11.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.193 -0.942 . . . . 0.0 109.468 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 t -66.61 132.81 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.436 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -60.13 -54.95 39.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -0.894 . . . . 0.0 109.265 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.337 -0.852 . . . . 0.0 109.456 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 t 64.73 -55.68 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-O 121.291 0.567 . . . . 0.0 109.844 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 170.84 143.45 3.98 Favored Glycine 0 N--CA 1.488 2.105 0 O-C-N 121.257 -0.902 . . . . 0.0 110.941 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.57 -17.79 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.1 -25.71 2.72 Favored Glycine 0 N--CA 1.501 3.008 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.05 72.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.97 -0.724 . . . . 0.0 111.23 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.7 mt -76.72 -45.02 30.98 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.286 -0.884 . . . . 0.0 110.45 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -63.25 -46.87 84.91 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 117.738 -1.585 . . . . 0.0 106.952 177.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.44 -43.66 84.09 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.459 -1.4 . . . . 0.0 110.325 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.72 66.68 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 120.228 -0.986 . . . . 0.0 111.226 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -87.66 -34.46 18.44 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.273 -1.721 . . . . 0.0 112.417 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.69 -19.33 63.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.723 -1.236 . . . . 0.0 108.551 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.42 -1.72 90.21 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.34 -39.28 13.55 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 122.309 1.052 . . . . 0.0 108.535 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.93 82.3 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.115 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.37 94.15 Favored Glycine 0 N--CA 1.49 2.269 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.089 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 t -71.14 -24.0 62.19 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.848 0.832 . . . . 0.0 112.519 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.441 ' C ' ' H ' ' A' ' 21' ' ' GLY . 41.3 m -89.01 -39.7 13.51 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.628 0.727 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.3 mtt -77.59 28.18 0.16 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.695 . . . . 0.0 109.851 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.441 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -51.52 -37.46 41.02 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.6 -69.3 0.39 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -1.143 . . . . 0.0 109.182 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.0 36.57 0.08 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.231 -0.918 . . . . 0.0 109.74 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 22' ' ' ALA . 54.9 p -78.43 -57.43 3.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.218 -0.927 . . . . 0.0 109.558 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 36.7 mtt 50.39 71.77 0.39 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.439 -0.788 . . . . 0.0 109.975 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -57.4 121.34 9.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.261 -0.899 . . . . 0.0 109.586 -179.743 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.9 mt -70.71 -58.18 3.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.161 -0.962 . . . . 0.0 109.201 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.414 ' OG1' ' N ' ' A' ' 29' ' ' VAL . 7.0 t -169.77 -149.23 0.07 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 109.433 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.414 ' N ' ' OG1' ' A' ' 28' ' ' THR . 28.1 m -66.69 141.12 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.199 -0.938 . . . . 0.0 109.548 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -67.29 -52.66 37.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.205 -0.934 . . . . 0.0 109.246 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.22 -0.925 . . . . 0.0 109.416 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.404 0.621 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 t 55.81 55.04 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-O 121.624 0.726 . . . . 0.0 110.01 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.66 42.49 0.05 OUTLIER Glycine 0 N--CA 1.494 2.55 0 C-N-CA 120.144 -1.027 . . . . 0.0 112.025 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.2 pt -67.62 -28.66 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 120.753 -1.44 . . . . 0.0 108.583 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.36 -29.48 16.65 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.88 71.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.906 -0.761 . . . . 0.0 110.962 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 mt -76.58 -45.93 28.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.458 -0.777 . . . . 0.0 110.502 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 15.7 t80 -64.12 -46.54 83.69 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 117.702 -1.599 . . . . 0.0 107.083 177.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -56.7 -43.85 80.94 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.404 -1.435 . . . . 0.0 110.256 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.25 64.36 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.039 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -88.68 -34.83 17.07 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.488 -1.595 . . . . 0.0 112.227 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.79 -18.62 65.46 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.802 -1.186 . . . . 0.0 108.963 -179.92 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.85 -39.91 58.7 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.85 -31.59 64.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.343 -1.093 . . . . 0.0 109.962 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.02 69.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.389 -0.82 . . . . 0.0 111.363 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.38 -39.59 94.25 Favored Glycine 0 N--CA 1.491 2.311 0 C-N-CA 119.848 -1.167 . . . . 0.0 111.301 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.69 -23.88 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.016 0.912 . . . . 0.0 112.423 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -89.01 -39.63 13.55 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.495 0.664 . . . . 0.0 109.239 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.5 mmt -78.21 -10.26 59.57 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.167 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.18 -22.53 58.39 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.63 -13.5 61.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -1.138 . . . . 0.0 109.477 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.39 -12.46 61.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.255 -0.903 . . . . 0.0 109.632 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.0 m -161.09 16.93 0.11 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.349 -0.844 . . . . 0.0 109.125 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.2 ttm 51.14 67.33 0.96 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 109.918 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.2 p -71.27 127.64 33.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.197 -0.94 . . . . 0.0 109.502 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.444 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 8.5 mp -66.26 -59.66 3.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.87 . . . . 0.0 108.799 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 m -164.92 -70.54 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.328 -0.858 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.83 165.48 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.232 -0.918 . . . . 0.0 109.499 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -170.87 155.43 4.62 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.327 -0.858 . . . . 0.0 109.395 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.258 -0.901 . . . . 0.0 109.506 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 t 55.59 -87.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.564 -0.71 . . . . 0.0 109.145 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 170.77 -91.2 0.09 OUTLIER Glycine 0 N--CA 1.493 2.464 0 O-C-N 120.977 -1.077 . . . . 0.0 111.511 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 mm -67.05 -26.4 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.512 -0.993 . . . . 0.0 109.234 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.45 14.84 Favored Glycine 0 N--CA 1.501 3.007 0 N-CA-C 108.165 -1.974 . . . . 0.0 108.165 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.81 71.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 122.178 -0.601 . . . . 0.0 111.349 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.2 mp -76.69 -46.14 26.78 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.232 -0.918 . . . . 0.0 110.278 -179.225 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.21 -46.29 84.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 117.396 -1.722 . . . . 0.0 107.087 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.73 -44.05 77.16 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.251 -1.531 . . . . 0.0 110.126 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.51 -46.54 65.16 Favored Glycine 0 N--CA 1.489 2.212 0 O-C-N 121.23 -0.919 . . . . 0.0 111.543 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -89.02 -35.92 16.1 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.333 -1.686 . . . . 0.0 112.502 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.16 -14.83 61.54 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.688 -1.258 . . . . 0.0 108.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.93 -39.89 37.18 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -31.76 65.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -1.111 . . . . 0.0 110.085 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.19 72.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.347 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.08 93.93 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.865 -1.16 . . . . 0.0 111.332 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -70.97 -23.91 62.3 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.978 0.895 . . . . 0.0 112.568 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -88.66 -39.15 14.24 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.593 0.711 . . . . 0.0 109.411 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.5 mmt -77.26 -14.0 59.83 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.56 -0.712 . . . . 0.0 110.006 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.51 10.73 54.51 Favored Glycine 0 N--CA 1.497 2.718 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.66 -31.21 66.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.184 -1.186 . . . . 0.0 109.66 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.6 -84.35 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.122 -0.986 . . . . 0.0 109.402 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 t -159.86 12.67 0.13 Allowed 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.6 tpt 53.13 69.8 0.66 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.603 -0.685 . . . . 0.0 109.695 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -172.06 -2.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 0.0 109.477 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 29' ' ' VAL . 19.8 tp -59.84 -48.79 80.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.0 108.985 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.436 ' C ' ' H ' ' A' ' 30' ' ' GLN . 44.6 p -68.34 67.01 0.12 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.498 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.416 ' N ' ' O ' ' A' ' 27' ' ' LEU . 30.5 m -61.52 -4.32 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -0.872 . . . . 0.0 109.523 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.436 ' H ' ' C ' ' A' ' 28' ' ' THR . 27.5 mm100 -66.33 136.87 56.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.302 -0.874 . . . . 0.0 109.429 179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.174 -0.954 . . . . 0.0 109.492 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.0 t 60.02 123.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.963 0.887 . . . . 0.0 110.335 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.12 146.31 5.4 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.86 -15.82 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -48.88 -28.01 6.95 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 108.202 -1.959 . . . . 0.0 108.202 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.89 71.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.983 -0.716 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.05 -46.8 22.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.818 . . . . 0.0 110.196 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 19.7 t80 -63.77 -47.27 81.66 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 117.664 -1.615 . . . . 0.0 107.212 177.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.57 -43.23 84.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.361 -1.462 . . . . 0.0 110.622 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.65 -45.47 68.26 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.03 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -88.38 -35.08 17.34 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.316 -1.697 . . . . 0.0 112.363 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.15 -16.77 63.87 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.693 -1.254 . . . . 0.0 108.803 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.33 -40.64 48.35 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.31 64.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -1.116 . . . . 0.0 109.903 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -50.11 73.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.609 -0.682 . . . . 0.0 111.157 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.28 -39.31 94.33 Favored Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.172 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -71.17 -23.96 62.15 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.894 0.854 . . . . 0.0 112.585 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -89.07 -39.59 13.54 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -77.54 10.53 2.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.61 -0.682 . . . . 0.0 109.985 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.92 -25.55 69.04 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.457 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -70.58 -41.1 72.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.232 -1.158 . . . . 0.0 109.451 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.92 10.18 0.77 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 0.0 109.554 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.457 ' H ' ' C ' ' A' ' 22' ' ' ALA . 28.9 t -159.84 42.68 0.21 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.336 -0.853 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.6 mtt 50.43 -97.15 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.31 -0.869 . . . . 0.0 110.105 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 m -165.16 65.29 0.12 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.127 -0.983 . . . . 0.0 109.248 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.421 ' CD1' ' HG ' ' A' ' 24' ' ' SER . 18.3 mt -75.1 -164.59 0.32 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.157 -0.964 . . . . 0.0 109.307 179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -172.34 144.47 1.55 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.307 -0.871 . . . . 0.0 109.503 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.77 -169.8 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.239 -0.913 . . . . 0.0 109.467 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -168.73 -58.46 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.937 . . . . 0.0 109.495 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 t 58.01 112.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 CA-C-O 121.817 0.818 . . . . 0.0 110.283 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.19 -46.61 0.15 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.0 mm -66.76 -32.57 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.724 -1.456 . . . . 0.0 109.769 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.17 -34.27 52.96 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 108.176 -1.97 . . . . 0.0 108.176 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.4 71.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.783 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 8' ' ' LEU . 8.3 mp -77.09 -47.81 19.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 0.0 109.938 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 12.5 t80 -64.2 -46.61 83.16 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.576 -1.65 . . . . 0.0 106.817 177.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.75 -43.52 80.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.34 -1.475 . . . . 0.0 109.909 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.39 -45.07 66.27 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.14 -1.028 . . . . 0.0 110.713 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -88.97 -35.04 16.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.485 -1.597 . . . . 0.0 112.058 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.15 -19.14 65.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.69 -1.256 . . . . 0.0 108.82 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.47 -40.45 54.4 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.56 63.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.413 -1.051 . . . . 0.0 109.609 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -50.12 73.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 111.214 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.6 92.25 Favored Glycine 0 N--CA 1.49 2.244 0 C-N-CA 119.827 -1.177 . . . . 0.0 111.534 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -24.58 62.65 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.923 0.868 . . . . 0.0 112.533 -177.124 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 p -88.86 -38.75 14.34 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -77.98 -33.33 51.42 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.12 5.66 18.17 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.492 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.03 -38.37 72.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.156 -1.202 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.42 18.39 0.12 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.326 -0.859 . . . . 0.0 109.816 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.492 ' H ' ' C ' ' A' ' 22' ' ' ALA . 67.9 m -159.13 53.02 0.39 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.236 -0.915 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.9 ttt 56.44 -123.1 1.78 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.323 -0.86 . . . . 0.0 109.343 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -173.84 64.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.931 -1.105 . . . . 0.0 109.535 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.64 152.12 46.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.186 -0.946 . . . . 0.0 109.298 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.1 p -59.36 165.98 2.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -0.872 . . . . 0.0 109.436 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.79 128.23 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 0.0 109.406 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.542 ' H ' ' NE2' ' A' ' 30' ' ' GLN . 3.8 mp0 -65.04 -81.51 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.255 -0.903 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.181 -0.949 . . . . 0.0 109.488 179.919 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.599 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 t 63.2 -23.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.718 -0.614 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.599 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 173.09 173.68 39.65 Favored Glycine 0 N--CA 1.486 1.977 0 O-C-N 120.959 -1.088 . . . . 0.0 111.087 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.36 -13.85 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.65 -25.36 2.15 Favored Glycine 0 N--CA 1.504 3.182 0 N-CA-C 108.825 -1.71 . . . . 0.0 108.825 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.25 72.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 122.048 -0.677 . . . . 0.0 111.258 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.96 -45.42 27.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.264 -0.898 . . . . 0.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 20.2 t80 -63.35 -46.48 86.39 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 117.563 -1.655 . . . . 0.0 107.034 178.01 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.46 -43.53 84.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.512 -1.367 . . . . 0.0 110.318 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.56 -46.04 66.43 Favored Glycine 0 N--CA 1.491 2.321 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.289 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -88.04 -35.21 17.68 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.299 -1.706 . . . . 0.0 112.48 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.08 -16.26 63.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.753 -1.217 . . . . 0.0 108.849 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.13 41.1 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.922 -1.111 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.66 64.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -1.131 . . . . 0.0 109.91 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.03 78.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.392 -0.818 . . . . 0.0 111.004 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.89 -38.99 93.3 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.41 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' SER . . . . . 0.449 ' HG ' ' N ' ' A' ' 19' ' ' THR . 93.9 p -71.19 -24.3 62.2 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.844 0.83 . . . . 0.0 112.909 -177.185 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.449 ' N ' ' HG ' ' A' ' 18' ' ' SER . 17.4 p -89.03 -39.22 13.83 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.637 0.732 . . . . 0.0 109.172 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.2 mmm -77.15 15.28 0.74 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.754 . . . . 0.0 109.957 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.409 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -71.05 -4.53 55.91 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.57 -28.52 63.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.15 -1.206 . . . . 0.0 109.53 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.65 5.33 1.92 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.249 -0.907 . . . . 0.0 109.388 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 22' ' ' ALA . 31.0 t -79.62 47.08 0.81 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.391 -0.818 . . . . 0.0 109.405 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 30.6 mtt 52.14 -179.19 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.382 -0.824 . . . . 0.0 109.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.479 ' HG1' ' H ' ' A' ' 27' ' ' LEU . 56.0 p -67.97 -90.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.479 ' H ' ' HG1' ' A' ' 26' ' ' THR . 17.5 tp -66.63 114.9 5.92 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.268 -0.895 . . . . 0.0 109.137 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.6 p -67.98 137.05 54.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.152 -0.967 . . . . 0.0 109.474 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.7 m -66.79 158.9 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.519 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -64.1 144.38 57.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.239 -0.913 . . . . 0.0 109.447 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.309 -0.87 . . . . 0.0 109.46 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.57 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 t 60.58 -5.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.65 -0.656 . . . . 0.0 110.097 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.57 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 170.43 140.48 3.01 Favored Glycine 0 N--CA 1.488 2.124 0 O-C-N 121.028 -1.045 . . . . 0.0 110.938 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.7 pt -68.07 -14.22 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.28 -26.35 3.3 Favored Glycine 0 N--CA 1.502 3.095 0 N-CA-C 108.544 -1.823 . . . . 0.0 108.544 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.15 71.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 122.024 -0.692 . . . . 0.0 110.752 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.8 mt -76.78 -46.58 24.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.442 -0.786 . . . . 0.0 110.591 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.47 -45.68 86.35 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.473 -1.691 . . . . 0.0 107.214 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 tp -54.55 -44.15 72.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.269 -1.519 . . . . 0.0 110.221 -178.581 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.97 -46.3 55.66 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 121.051 -1.031 . . . . 0.0 111.064 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -89.8 -35.08 15.9 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.562 -1.552 . . . . 0.0 112.055 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.75 -22.05 66.9 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.736 -1.227 . . . . 0.0 108.54 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.93 52.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -32.17 65.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -1.084 . . . . 0.0 110.116 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.41 77.02 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.349 -0.844 . . . . 0.0 111.142 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.87 -39.12 93.36 Favored Glycine 0 N--CA 1.489 2.21 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.5 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -71.11 -24.19 62.24 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.8 0.809 . . . . 0.0 112.824 -177.173 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -89.01 -38.9 14.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.3 ttt -77.03 -13.81 59.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.445 -0.784 . . . . 0.0 110.0 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.41 -21.85 77.56 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.26 -52.03 18.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.175 -1.191 . . . . 0.0 109.644 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.98 -0.99 10.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.322 -0.861 . . . . 0.0 109.709 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 m -79.96 38.59 0.4 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.351 -0.843 . . . . 0.0 109.446 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 72.2 mtp 50.58 -176.41 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.393 -0.817 . . . . 0.0 110.137 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.4 p -68.33 -167.21 0.08 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.882 . . . . 0.0 109.465 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.02 94.97 0.52 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.24 -0.913 . . . . 0.0 109.388 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.1 m -60.67 -68.09 0.34 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.248 -0.907 . . . . 0.0 109.415 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t 52.69 82.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.373 -0.829 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -168.95 76.03 0.1 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.347 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.256 -0.903 . . . . 0.0 109.426 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t 52.55 -91.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.323 -0.86 . . . . 0.0 108.998 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 171.78 20.19 0.02 OUTLIER Glycine 0 N--CA 1.492 2.381 0 O-C-N 121.131 -0.981 . . . . 0.0 112.357 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.41 -35.02 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.213 -1.757 . . . . 0.0 109.642 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.04 -34.75 58.46 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 108.236 -1.945 . . . . 0.0 108.236 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -30.14 71.34 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.721 -0.87 . . . . 0.0 110.713 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.41 -47.58 22.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.434 -0.791 . . . . 0.0 110.083 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -65.63 -46.26 79.92 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 117.354 -1.738 . . . . 0.0 106.9 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.28 -44.08 75.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 119.97 -1.706 . . . . 0.0 109.754 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.37 -45.28 65.76 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 120.334 -0.936 . . . . 0.0 110.877 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -89.64 -35.82 15.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.449 -1.618 . . . . 0.0 112.065 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.0 -17.33 64.61 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.739 -1.226 . . . . 0.0 108.801 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.61 -40.3 38.7 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -31.16 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.335 -1.097 . . . . 0.0 109.644 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -50.13 73.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.489 -0.757 . . . . 0.0 111.174 -178.187 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.22 -39.69 92.32 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.835 -1.165 . . . . 0.0 111.564 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -70.66 -24.45 62.7 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.935 0.874 . . . . 0.0 112.471 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 p -89.07 -38.94 13.99 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 ttp -78.46 -33.8 48.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.538 -0.726 . . . . 0.0 110.178 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.31 -25.18 75.04 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.41 -52.78 16.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.24 -1.153 . . . . 0.0 109.61 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.37 -29.59 65.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.136 -0.977 . . . . 0.0 109.823 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.1 m -80.33 50.23 1.24 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.252 -0.905 . . . . 0.0 109.604 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.3 mtt 52.16 -147.76 0.43 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.233 -0.917 . . . . 0.0 110.01 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.6 p -58.28 159.21 6.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -0.88 . . . . 0.0 109.609 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.455 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 8.1 mp -69.46 126.81 30.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 108.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -68.58 79.26 0.28 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.238 -0.914 . . . . 0.0 109.404 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.6 m -65.05 -5.2 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.207 -0.933 . . . . 0.0 109.663 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -65.64 148.02 52.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.194 -0.941 . . . . 0.0 109.415 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.9 . . . . 0.0 109.414 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t 63.54 -62.62 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.962 -0.461 . . . . 0.0 110.22 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -92.22 80.74 1.18 Allowed Glycine 0 N--CA 1.497 2.719 0 O-C-N 120.94 -1.1 . . . . 0.0 111.589 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.6 tt -67.52 -26.52 35.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.066 -1.255 . . . . 0.0 107.985 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.89 -30.0 21.11 Favored Glycine 0 N--CA 1.5 2.939 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.26 70.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.774 -0.839 . . . . 0.0 110.471 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 1.2 tt -77.0 -46.84 22.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.56 -0.712 . . . . 0.0 109.753 -179.59 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -63.98 -48.34 76.83 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 117.757 -1.577 . . . . 0.0 107.288 177.607 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.29 -43.04 82.83 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.209 -1.557 . . . . 0.0 109.908 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.09 -45.4 62.89 Favored Glycine 0 N--CA 1.493 2.442 0 C-N-CA 120.132 -1.032 . . . . 0.0 110.806 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -88.57 -34.79 17.23 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.494 -1.592 . . . . 0.0 112.238 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.9 -18.09 65.1 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.748 -1.22 . . . . 0.0 109.024 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.29 56.0 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.51 64.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -1.09 . . . . 0.0 109.862 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.88 -50.25 72.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 111.389 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.38 93.38 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.845 -1.169 . . . . 0.0 111.56 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 m -70.67 -24.2 62.64 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.929 0.871 . . . . 0.0 112.648 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.91 -38.97 14.12 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.521 0.676 . . . . 0.0 109.218 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.9 mtt -77.74 -31.26 52.07 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.53 -0.731 . . . . 0.0 110.243 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.04 -9.95 64.26 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.36 -26.27 62.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.135 -1.214 . . . . 0.0 109.462 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.6 -49.69 37.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.285 -0.884 . . . . 0.0 109.725 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.4 m -159.47 35.07 0.19 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.409 -0.807 . . . . 0.0 108.955 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.2 mtt 53.19 -150.5 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.515 -0.741 . . . . 0.0 109.923 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p -63.87 119.86 10.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.173 -0.954 . . . . 0.0 109.548 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -68.5 -167.68 0.1 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.958 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -172.32 -1.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.285 -0.884 . . . . 0.0 109.441 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.2 t -58.98 147.11 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.13 -0.981 . . . . 0.0 109.471 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -59.99 -166.42 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 0.0 109.414 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.344 -0.847 . . . . 0.0 109.429 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.41 ' O ' ' O ' ' A' ' 2' ' ' ALA . 5.0 t 60.51 148.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-O 121.558 0.694 . . . . 0.0 109.236 -179.694 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.53 -10.14 74.07 Favored Glycine 0 N--CA 1.497 2.762 0 O-C-N 120.924 -1.11 . . . . 0.0 112.23 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 18.0 tt -67.26 -40.23 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.174 -1.78 . . . . 0.0 111.284 -178.311 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -58.55 -38.97 92.52 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 177.923 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.52 71.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.696 -0.885 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.6 tp -76.42 -46.26 27.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.601 -0.687 . . . . 0.0 109.897 -179.359 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.8 t80 -64.42 -47.36 79.42 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.695 -1.602 . . . . 0.0 106.953 177.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.3 mt -57.5 -43.26 84.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.331 -1.481 . . . . 0.0 110.247 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -44.75 71.8 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 120.137 -1.03 . . . . 0.0 110.756 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -88.51 -34.94 17.24 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.45 -1.618 . . . . 0.0 112.165 -179.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.06 -17.12 64.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.746 -1.221 . . . . 0.0 109.044 -179.959 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.08 -40.85 49.82 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.96 -31.44 62.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.327 -1.102 . . . . 0.0 109.693 -179.26 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.82 74.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.436 -0.79 . . . . 0.0 111.25 -178.054 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.38 -39.41 91.64 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.806 -1.188 . . . . 0.0 111.569 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -70.87 -24.61 62.53 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.974 0.892 . . . . 0.0 112.666 -176.991 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -88.91 -38.65 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.4 mtt -78.53 -7.91 58.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.51 -0.744 . . . . 0.0 110.214 -179.148 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.5 -59.29 5.8 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.37 58.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.217 -1.167 . . . . 0.0 109.532 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.22 -2.28 15.49 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.313 -0.867 . . . . 0.0 109.397 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' THR . 55.7 p -80.35 49.47 1.14 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.387 -0.821 . . . . 0.0 109.405 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.7 mtt 50.48 -91.76 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.253 -0.904 . . . . 0.0 110.101 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.5 t -172.26 -2.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.209 -0.932 . . . . 0.0 109.384 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 1.4 tt -167.03 -63.1 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.316 -0.865 . . . . 0.0 108.723 179.901 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.4 p -64.64 109.99 2.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.0 109.446 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.42 -6.95 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.28 -0.888 . . . . 0.0 109.52 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -66.07 155.47 36.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.309 -0.87 . . . . 0.0 109.464 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.4 179.974 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t 64.7 -49.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-O 120.94 0.4 . . . . 0.0 110.572 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.46 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -89.95 18.01 49.99 Favored Glycine 0 N--CA 1.499 2.866 0 O-C-N 120.91 -1.119 . . . . 0.0 112.134 -179.823 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.97 -34.99 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.201 -1.764 . . . . 0.0 109.74 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.03 -34.95 62.71 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 178.364 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.57 -30.72 71.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.658 -0.907 . . . . 0.0 110.966 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.48 -45.58 30.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.529 -0.732 . . . . 0.0 110.417 -179.192 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.11 -46.86 82.3 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.036 177.742 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.21 -43.35 82.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.474 -1.392 . . . . 0.0 110.554 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.47 -45.33 66.7 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.809 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -88.7 -34.64 17.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.443 -1.622 . . . . 0.0 112.166 -179.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -66.01 -18.11 65.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.734 -1.228 . . . . 0.0 108.97 179.945 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.35 -40.5 54.92 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.06 62.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -1.095 . . . . 0.0 109.708 -179.292 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -50.68 70.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 111.435 -178.14 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.79 93.64 Favored Glycine 0 N--CA 1.491 2.3 0 C-N-CA 119.875 -1.155 . . . . 0.0 111.42 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 t -70.74 -24.14 62.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.984 0.897 . . . . 0.0 112.453 -177.28 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.3 m -88.95 -39.47 13.72 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.56 0.695 . . . . 0.0 109.192 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' MET . . . . . 0.449 ' C ' ' H ' ' A' ' 22' ' ' ALA . 19.0 mmt -78.97 -31.41 44.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.493 -0.754 . . . . 0.0 110.288 -179.044 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.9 0.69 3.11 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.576 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.47 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.27 -51.6 23.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.2 -1.177 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.58 22.26 0.08 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.283 -0.885 . . . . 0.0 110.07 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.47 ' H ' ' C ' ' A' ' 22' ' ' ALA . 46.0 t -159.86 37.94 0.19 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.018 -1.052 . . . . 0.0 109.736 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.2 mtt 52.11 178.56 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.35 -0.844 . . . . 0.0 110.178 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.527 ' HG1' ' N ' ' A' ' 27' ' ' LEU . 55.2 p -74.39 -48.58 26.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.21 -0.931 . . . . 0.0 109.427 179.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.527 ' N ' ' HG1' ' A' ' 26' ' ' THR . 18.6 mt -66.08 104.1 1.08 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.884 . . . . 0.0 109.354 -179.862 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -67.59 163.23 21.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.39 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.28 142.04 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 0.0 109.581 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -67.3 -69.03 0.34 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.908 . . . . 0.0 109.397 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.158 -0.964 . . . . 0.0 109.357 179.987 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 t 64.23 -41.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-O 120.839 0.352 . . . . 0.0 110.985 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.49 ' C ' ' H ' ' A' ' 6' ' ' GLY . . . -90.61 -122.05 2.46 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 120.825 -1.172 . . . . 0.0 112.878 -179.431 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.415 ' C ' ' N ' ' A' ' 7' ' ' ALA . 32.7 pt -70.49 13.36 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.987 -0.714 . . . . 0.0 110.826 -179.058 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.49 ' H ' ' C ' ' A' ' 4' ' ' GLY . . . -46.22 -24.87 1.66 Allowed Glycine 0 N--CA 1.504 3.218 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 179.689 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 5' ' ' ILE . . . -63.39 -31.75 73.0 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 122.177 -0.602 . . . . 0.0 111.339 -179.698 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.93 -45.39 27.96 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.243 -0.911 . . . . 0.0 110.572 -179.088 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 21.3 t80 -63.09 -45.6 91.34 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.952 177.9 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.1 -43.85 87.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.506 -1.371 . . . . 0.0 110.51 -178.643 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.03 -46.29 69.96 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.384 -178.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.58 -35.42 18.11 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.307 -1.702 . . . . 0.0 112.575 -178.412 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.86 -14.43 59.44 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.751 -1.218 . . . . 0.0 108.932 -179.857 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.09 -42.41 24.41 Favored Glycine 0 N--CA 1.494 2.52 0 O-C-N 120.84 -1.163 . . . . 0.0 110.507 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -32.74 62.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.144 -1.209 . . . . 0.0 109.695 -179.262 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.17 82.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.69 -0.631 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.67 93.09 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.864 -1.16 . . . . 0.0 111.147 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 p -71.17 -24.41 62.24 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.743 0.783 . . . . 0.0 112.71 -177.181 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.5 m -88.8 -39.13 14.11 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.572 0.701 . . . . 0.0 109.229 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.2 tpt -77.11 -25.4 52.15 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.417 0.627 . . . . 0.0 109.622 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.31 -23.05 52.78 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.94 -15.58 62.08 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.306 -1.114 . . . . 0.0 109.62 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.55 0.49 6.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.097 -1.002 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.6 t -160.55 35.7 0.16 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.425 -0.797 . . . . 0.0 109.027 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' LEU . 39.0 ttm 58.34 158.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.443 0.64 . . . . 0.0 109.703 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 m -59.0 88.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.042 -1.036 . . . . 0.0 109.46 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 25' ' ' MET . 18.0 tp -62.33 95.75 0.07 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.305 -0.872 . . . . 0.0 109.01 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 28' ' ' THR . . . . . 0.451 ' C ' ' H ' ' A' ' 30' ' ' GLN . 67.3 p -66.27 103.87 1.09 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.208 -0.933 . . . . 0.0 109.534 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.3 m -61.44 -4.21 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.216 -0.928 . . . . 0.0 109.45 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.451 ' H ' ' C ' ' A' ' 28' ' ' THR . 68.5 mt-30 -64.56 117.16 6.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.0 109.555 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.323 -0.861 . . . . 0.0 109.895 -179.995 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t 61.02 -71.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.972 -0.455 . . . . 0.0 110.073 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -91.14 134.09 12.12 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 120.866 -1.146 . . . . 0.0 111.103 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 pt -68.86 -6.63 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.219 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.49 -25.53 2.11 Favored Glycine 0 N--CA 1.502 3.052 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.75 71.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 122.147 -0.619 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.18 -46.86 21.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -0.768 . . . . 0.0 110.308 -179.515 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 25.1 t80 -63.54 -46.48 85.78 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 117.673 -1.611 . . . . 0.0 107.025 177.876 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.66 -43.51 85.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.464 -1.398 . . . . 0.0 110.282 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.46 70.92 Favored Glycine 0 N--CA 1.491 2.305 0 O-C-N 121.149 -0.969 . . . . 0.0 111.068 -178.717 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -87.67 -34.55 18.4 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.361 -1.67 . . . . 0.0 112.54 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.9 -18.68 63.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.703 -1.248 . . . . 0.0 108.502 179.873 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.74 -1.5 90.22 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.22 -39.13 13.74 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 122.402 1.096 . . . . 0.0 108.386 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.16 81.28 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.171 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.51 -39.55 94.03 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.779 -1.201 . . . . 0.0 111.112 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -71.08 -24.05 62.24 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.915 0.864 . . . . 0.0 112.5 -177.236 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' THR . . . . . 0.423 ' C ' ' H ' ' A' ' 21' ' ' GLY . 47.7 m -88.98 -39.57 13.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.721 0.772 . . . . 0.0 109.24 179.999 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.5 mtt -77.88 23.78 0.24 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . 0.423 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -54.1 -60.72 8.03 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.818 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.42 -53.65 13.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.21 -1.171 . . . . 0.0 109.462 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 36.75 0.08 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.256 -0.902 . . . . 0.0 109.942 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 22' ' ' ALA . 56.3 p -78.57 -11.23 59.95 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.115 -0.991 . . . . 0.0 109.431 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.5 mtt 48.77 -92.79 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.521 -0.737 . . . . 0.0 110.181 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' SER . 60.8 m -165.33 154.45 12.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.317 -0.865 . . . . 0.0 109.209 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.17 95.03 0.72 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.29 -0.882 . . . . 0.0 109.209 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.3 t -173.47 -2.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.308 179.918 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.7 t -63.53 -43.61 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.525 -179.925 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -61.07 150.54 33.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.163 -0.961 . . . . 0.0 109.418 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.878 . . . . 0.0 109.442 179.96 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.473 0.654 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 t 53.69 89.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 CA-C-O 121.657 0.741 . . . . 0.0 110.365 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.87 -70.7 0.1 OUTLIER Glycine 0 N--CA 1.493 2.449 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.86 -31.4 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.917 -1.343 . . . . 0.0 109.748 -179.2 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.74 -33.2 41.82 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 108.051 -2.02 . . . . 0.0 108.051 178.374 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.78 70.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 122.034 -0.686 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -76.91 -48.03 19.39 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.268 -179.027 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.2 t80 -63.95 -46.53 84.26 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 117.573 -1.651 . . . . 0.0 106.783 177.794 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.71 -43.79 80.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.454 -1.403 . . . . 0.0 110.092 -178.914 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.67 64.63 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.178 -0.952 . . . . 0.0 110.962 -179.039 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -88.83 -35.23 16.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.318 -1.696 . . . . 0.0 112.267 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.84 -18.2 65.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.621 -1.3 . . . . 0.0 108.867 179.988 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.49 -40.46 54.27 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -31.6 63.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.425 -1.044 . . . . 0.0 109.595 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.62 70.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.522 -0.736 . . . . 0.0 111.203 -178.058 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.8 93.74 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.825 -1.178 . . . . 0.0 111.283 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.7 t -70.73 -24.24 62.6 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.887 0.851 . . . . 0.0 112.413 -177.356 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -88.96 -39.44 13.73 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.621 0.724 . . . . 0.0 109.163 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.9 mmt -78.22 -14.19 59.55 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.543 -0.723 . . . . 0.0 110.146 -179.261 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.9 -36.45 81.75 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.25 -14.75 62.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.225 -1.162 . . . . 0.0 109.387 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.414 ' C ' ' H ' ' A' ' 25' ' ' MET . . . -71.42 -26.59 62.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.0 109.408 -179.946 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.8 p -80.45 20.8 0.67 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.44 -0.787 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.414 ' H ' ' C ' ' A' ' 23' ' ' ALA . 11.5 ttt 54.53 -133.08 1.76 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.298 -0.877 . . . . 0.0 109.402 179.937 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.1 p -77.15 169.14 18.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.043 -1.036 . . . . 0.0 109.337 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 tp -67.53 112.08 4.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 108.934 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 m -164.93 153.8 12.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.322 -0.861 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.9 -164.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.51 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 53.16 73.09 0.38 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.925 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.225 -0.922 . . . . 0.0 109.357 179.989 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.594 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 t 62.37 -13.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.706 -0.621 . . . . 0.0 110.581 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.594 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 171.04 152.67 8.36 Favored Glycine 0 N--CA 1.486 1.988 0 O-C-N 120.964 -1.085 . . . . 0.0 110.781 179.106 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.53 -5.72 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.525 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.64 -25.99 2.43 Favored Glycine 0 N--CA 1.503 3.129 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.4 71.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.951 -0.735 . . . . 0.0 110.649 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -76.91 -46.09 25.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.251 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 26.6 t80 -63.59 -47.18 82.54 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 117.557 -1.657 . . . . 0.0 107.138 177.837 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.82 -43.52 85.83 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.419 -1.426 . . . . 0.0 110.839 -178.728 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.41 71.01 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.216 -0.993 . . . . 0.0 111.074 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -87.59 -34.74 18.42 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.296 -1.708 . . . . 0.0 112.528 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.76 -18.13 62.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.754 -1.217 . . . . 0.0 108.587 179.969 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.37 -1.85 90.25 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.18 13.56 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 122.353 1.073 . . . . 0.0 108.452 178.095 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.78 82.98 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.222 -178.004 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.31 93.81 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.826 -1.178 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.16 -23.95 62.15 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.961 0.886 . . . . 0.0 112.569 -177.232 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.3 m -88.85 -39.5 13.8 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.716 0.769 . . . . 0.0 109.382 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.4 mmt -77.29 14.17 1.0 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.519 -0.738 . . . . 0.0 109.999 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.29 -9.9 73.45 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.426 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.7 -39.92 69.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.269 -1.136 . . . . 0.0 109.417 -179.899 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 25' ' ' MET . . . -71.03 5.71 1.93 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.205 -0.934 . . . . 0.0 109.531 179.981 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.426 ' H ' ' C ' ' A' ' 22' ' ' ALA . 26.1 t -80.01 32.76 0.27 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.357 -0.84 . . . . 0.0 109.494 -179.901 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.41 ' H ' ' C ' ' A' ' 23' ' ' ALA . 44.5 mtt 50.54 70.76 0.48 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.326 -0.858 . . . . 0.0 110.177 179.861 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -67.35 -144.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 109.308 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt 55.87 46.72 21.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.223 -0.923 . . . . 0.0 109.567 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.2 p -68.02 161.75 25.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.0 109.419 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.9 m -61.28 141.48 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.219 -0.925 . . . . 0.0 109.504 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -67.63 -39.41 84.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.979 . . . . 0.0 109.485 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 0.0 109.415 179.966 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . 0.565 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.372 0.606 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . 0.453 ' H ' ' H ' ' A' ' 2' ' ' ALA . 10.8 t 61.96 -18.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.955 -0.466 . . . . 0.0 111.306 179.812 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.565 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -88.85 -173.73 46.74 Favored Glycine 0 N--CA 1.493 2.448 0 O-C-N 120.635 -1.291 . . . . 0.0 111.574 179.698 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' C ' ' N ' ' A' ' 7' ' ' ALA . 27.4 pt -70.96 12.4 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 122.232 -0.569 . . . . 0.0 109.981 179.667 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . 0.498 ' H ' ' C ' ' A' ' 4' ' ' GLY . . . -45.39 -24.37 1.0 Allowed Glycine 0 N--CA 1.504 3.19 0 N-CA-C 108.884 -1.687 . . . . 0.0 108.884 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 5' ' ' ILE . . . -62.78 -31.35 72.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 122.081 -0.658 . . . . 0.0 110.902 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.73 -45.83 27.78 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.36 -0.837 . . . . 0.0 110.71 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.88 -46.73 83.61 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 117.374 -1.731 . . . . 0.0 107.132 177.623 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.8 mt -55.88 -43.63 77.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.282 -1.511 . . . . 0.0 110.408 -178.673 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.96 -46.38 61.02 Favored Glycine 0 N--CA 1.49 2.271 0 O-C-N 121.144 -0.973 . . . . 0.0 110.977 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -89.0 -35.65 16.27 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.447 -1.619 . . . . 0.0 112.299 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.78 -18.3 64.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.778 -1.201 . . . . 0.0 108.643 -179.885 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.99 -41.17 33.3 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.36 63.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -1.21 . . . . 0.0 109.755 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.656 -0.653 . . . . 0.0 110.889 -178.175 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.21 -39.53 92.33 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.35 -179.262 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.3 m -71.01 -24.73 62.43 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.731 0.777 . . . . 0.0 112.798 -177.066 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -88.7 -38.95 14.35 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 ttt -77.25 -33.24 56.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.549 -0.719 . . . . 0.0 109.823 -179.348 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.16 6.25 64.06 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.51 -16.46 62.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -1.161 . . . . 0.0 109.584 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.54 -15.2 62.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.184 -0.947 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.5 p -80.93 61.76 4.66 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.343 -0.848 . . . . 0.0 109.353 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.9 mtt 51.37 -174.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.287 -0.883 . . . . 0.0 109.997 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.598 ' HG1' ' H ' ' A' ' 27' ' ' LEU . 42.9 p -68.06 -50.7 53.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.47 -179.901 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.598 ' H ' ' HG1' ' A' ' 26' ' ' THR . 25.7 tp -170.08 128.64 0.89 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.194 -0.941 . . . . 0.0 108.95 -179.959 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 t -169.43 23.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 109.461 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 t -68.82 114.29 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.875 . . . . 0.0 109.484 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.526 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -56.59 -168.89 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.304 -0.873 . . . . 0.0 109.779 -179.87 . . . . . . . . 3 3 . 1 . 027 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.142 -0.974 . . . . 0.0 109.406 179.99 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 t 57.09 109.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-O 121.749 0.785 . . . . 0.0 110.365 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.16 46.15 0.05 OUTLIER Glycine 0 N--CA 1.493 2.435 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.325 178.626 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.6 pt -67.39 -27.71 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.012 -1.287 . . . . 0.0 108.717 179.145 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.83 -29.89 20.47 Favored Glycine 0 N--CA 1.501 3.015 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 178.815 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.02 71.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 122.038 -0.683 . . . . 0.0 110.969 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 mt -76.87 -46.23 25.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 0.0 110.298 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 13.3 t80 -63.9 -46.43 84.87 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 117.612 -1.635 . . . . 0.0 106.985 177.801 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.21 -43.82 78.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.463 -1.398 . . . . 0.0 110.291 -178.78 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.83 -45.66 60.88 Favored Glycine 0 N--CA 1.491 2.354 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.006 -178.901 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -88.95 -34.82 16.76 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.447 -1.62 . . . . 0.0 112.175 -179.161 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.68 -19.44 65.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.667 -1.271 . . . . 0.0 108.859 179.987 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.05 -39.79 57.94 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.75 65.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.47 -1.018 . . . . 0.0 109.931 -179.295 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -50.87 70.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -0.759 . . . . 0.0 111.348 -178.006 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.53 94.15 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.772 -1.204 . . . . 0.0 111.152 -178.977 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -70.79 -23.95 62.48 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.983 0.897 . . . . 0.0 112.462 -177.334 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -89.07 -39.64 13.5 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.5 mtt -78.13 -13.4 59.88 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.652 -0.655 . . . . 0.0 110.068 -179.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.07 -16.81 58.1 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -59.97 2.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.321 -1.105 . . . . 0.0 109.681 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.407 ' C ' ' H ' ' A' ' 25' ' ' MET . . . -71.22 -3.15 18.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.256 -0.902 . . . . 0.0 109.796 -179.721 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -80.1 34.34 0.3 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.274 -0.891 . . . . 0.0 109.511 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.407 ' H ' ' C ' ' A' ' 23' ' ' ALA . 43.6 mtt 51.92 -136.57 1.31 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.193 -0.942 . . . . 0.0 109.849 -179.885 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -169.66 13.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.079 -1.013 . . . . 0.0 109.408 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.02 -12.19 61.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.907 . . . . 0.0 109.357 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.9 p -63.26 119.87 10.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.154 -0.966 . . . . 0.0 109.507 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.6 t -67.88 89.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -62.31 -31.58 72.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.546 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.246 -0.909 . . . . 0.0 109.432 179.988 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 t 56.36 106.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 CA-C-O 121.793 0.806 . . . . 0.0 110.169 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.35 -8.38 0.03 OUTLIER Glycine 0 N--CA 1.492 2.37 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.062 178.929 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 25.0 pt -66.72 -32.48 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.427 -1.631 . . . . 0.0 109.827 -179.542 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.53 -34.72 60.4 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 178.268 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.24 70.93 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.539 -0.977 . . . . 0.0 110.645 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.9 tp -76.61 -46.36 26.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.567 -0.708 . . . . 0.0 110.157 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 17.6 t80 -64.52 -48.06 76.54 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 117.693 -1.603 . . . . 0.0 107.128 177.748 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.65 -43.21 84.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.315 -1.491 . . . . 0.0 109.758 -178.83 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.4 -45.58 65.63 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.811 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -88.41 -35.08 17.29 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.371 -1.664 . . . . 0.0 112.278 -178.988 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -65.94 -16.8 64.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.743 -1.223 . . . . 0.0 109.015 -179.909 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.51 -40.46 54.17 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.72 63.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -1.093 . . . . 0.0 109.776 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -50.49 71.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.56 -0.713 . . . . 0.0 111.399 -178.06 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.4 93.6 Favored Glycine 0 N--CA 1.49 2.239 0 C-N-CA 119.844 -1.169 . . . . 0.0 111.355 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -70.89 -24.06 62.41 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.997 0.903 . . . . 0.0 112.446 -177.346 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -88.77 -39.44 13.92 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.598 0.713 . . . . 0.0 109.233 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.8 mtt -78.23 17.83 0.59 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.497 -0.752 . . . . 0.0 110.128 -179.16 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.88 -32.51 48.58 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . 0.488 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -72.11 -61.12 1.9 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.229 -1.16 . . . . 0.0 109.559 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 25' ' ' MET . . . -72.86 19.08 0.09 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.346 -0.846 . . . . 0.0 110.106 -179.826 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' SER . . . . . 0.488 ' H ' ' C ' ' A' ' 22' ' ' ALA . 95.3 p -79.04 31.01 0.21 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.092 -1.005 . . . . 0.0 109.573 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.425 ' H ' ' C ' ' A' ' 23' ' ' ALA . 14.9 tpt 53.0 97.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.332 -0.855 . . . . 0.0 109.762 179.922 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.3 m -66.08 -73.92 0.12 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.214 -0.928 . . . . 0.0 109.477 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.19 -168.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.153 -0.967 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 t -172.77 144.88 1.41 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.239 -0.913 . . . . 0.0 109.426 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -67.15 -165.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.183 -0.948 . . . . 0.0 109.433 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -63.91 127.4 31.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.373 -0.829 . . . . 0.0 109.24 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.274 -0.891 . . . . 0.0 109.586 -179.988 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t 60.34 144.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 CA-C-O 121.875 0.845 . . . . 0.0 110.418 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.33 171.81 38.94 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 178.827 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.86 -12.52 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.21 -25.72 2.88 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.93 73.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 122.101 -0.647 . . . . 0.0 111.323 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mp -77.07 -45.29 27.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.309 -0.869 . . . . 0.0 110.011 -179.27 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.23 -46.14 85.14 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 117.416 -1.714 . . . . 0.0 107.176 177.606 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.91 -43.82 77.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.336 -1.478 . . . . 0.0 109.947 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.05 -45.54 62.35 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.946 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -88.79 -35.04 16.87 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.466 -1.608 . . . . 0.0 112.133 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.12 -22.21 65.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.832 -1.167 . . . . 0.0 108.108 179.681 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.32 -1.52 90.09 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.39 -39.23 13.55 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 122.338 1.066 . . . . 0.0 108.47 178.198 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.131 -178.015 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.63 -39.09 93.72 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.372 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -71.11 -24.43 62.29 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.85 0.833 . . . . 0.0 112.906 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -88.97 -39.05 14.0 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.64 0.733 . . . . 0.0 109.233 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtt -76.98 0.92 19.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 109.987 -179.184 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.5 1.85 80.44 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 179.749 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.77 -58.07 3.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.271 -1.135 . . . . 0.0 109.599 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.67 -3.25 17.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 0.0 109.456 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -80.3 45.57 0.76 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.83 . . . . 0.0 109.417 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.523 ' N ' ' SD ' ' A' ' 25' ' ' MET . 1.1 mpt? 50.73 -164.59 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.362 -0.836 . . . . 0.0 109.782 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.2 p -58.26 -171.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 109.463 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' A' ' 27' ' ' LEU . 8.5 mp -59.54 -177.6 0.05 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 108.876 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear orig full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.8 p -65.89 154.5 39.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 109.527 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.0 m -66.25 148.55 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.124 -0.985 . . . . 0.0 109.493 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.86 157.27 15.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 109.417 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.221 -0.924 . . . . 0.0 109.511 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.092 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.83 71.89 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.992 -0.711 . . . . 0.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.11 -44.36 38.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 110.901 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -64.01 -46.42 84.57 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 117.443 -1.703 . . . . 0.0 107.058 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.1 tt -55.95 -45.12 78.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.318 -1.489 . . . . 0.0 110.254 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.21 -47.11 62.03 Favored Glycine 0 N--CA 1.491 2.33 0 O-C-N 121.143 -0.973 . . . . 0.0 111.78 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -88.0 -35.65 17.47 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.178 -1.778 . . . . 0.0 112.844 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.63 -14.97 49.32 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.698 -1.251 . . . . 0.0 108.64 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.53 -1.47 89.21 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.32 -38.85 13.86 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 122.304 1.05 . . . . 0.0 108.571 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.42 84.64 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.322 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.54 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.699 -1.238 . . . . 0.0 111.279 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -71.11 -23.99 62.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.927 0.87 . . . . 0.0 112.672 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.5 m -88.68 -39.07 14.28 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.55 0.69 . . . . 0.0 109.35 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.544 -0.723 . . . . 0.0 109.933 -179.153 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.083 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.48 72.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.778 -0.837 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.87 -42.56 48.96 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.122 -0.986 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -61.95 -48.18 81.55 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 117.592 -1.643 . . . . 0.0 106.837 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 mt -58.88 -43.36 90.92 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.437 -1.414 . . . . 0.0 110.956 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.27 -46.79 70.58 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.236 -0.915 . . . . 0.0 111.557 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -87.27 -34.88 18.76 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 119.866 1.833 . . . . 0.0 112.69 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.21 -13.69 40.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.752 -1.217 . . . . 0.0 108.86 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.61 -1.87 90.04 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.18 -39.39 13.6 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.387 1.089 . . . . 0.0 108.517 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.69 83.36 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.131 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.23 93.99 Favored Glycine 0 N--CA 1.49 2.299 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.077 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -71.19 -24.03 62.15 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.865 0.84 . . . . 0.0 112.598 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -88.93 -39.51 13.71 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.673 0.749 . . . . 0.0 109.319 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 mtt . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.008 -179.098 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.808 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.48 71.63 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.938 -0.743 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.63 -47.0 23.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.803 . . . . 0.0 110.123 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.671 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 12.3 t80 -63.89 -46.17 86.09 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.682 -1.607 . . . . 0.0 107.028 177.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.11 -43.7 78.37 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.358 -1.464 . . . . 0.0 110.433 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.63 -45.97 59.5 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.231 -0.985 . . . . 0.0 111.104 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -89.14 -34.38 16.73 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.499 -1.589 . . . . 0.0 111.88 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.671 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.93 -19.71 65.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.629 -1.295 . . . . 0.0 108.877 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.62 -39.71 55.34 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.54 64.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.431 -1.041 . . . . 0.0 109.895 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.5 71.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.398 -0.814 . . . . 0.0 111.365 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.16 93.53 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.819 -1.175 . . . . 0.0 111.542 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.6 t -70.75 -24.28 62.59 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.897 0.856 . . . . 0.0 112.626 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p -88.89 -38.85 14.23 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.972 -179.268 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.85 0 N-CA-C 108.534 -1.827 . . . . 0.0 108.534 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.06 72.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.843 -0.798 . . . . 0.0 111.099 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.38 -44.64 35.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.382 -0.824 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.36 -47.33 76.79 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 117.428 -1.709 . . . . 0.0 107.228 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -54.68 -43.8 72.8 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.007 -1.683 . . . . 0.0 109.555 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.33 -45.84 57.97 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.203 -0.998 . . . . 0.0 110.817 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -90.08 -35.54 15.4 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.485 -1.597 . . . . 0.0 112.139 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.51 -19.08 65.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.627 -1.296 . . . . 0.0 108.71 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.32 -39.23 52.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.41 64.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.52 -0.988 . . . . 0.0 109.983 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.07 69.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.53 94.2 Favored Glycine 0 N--CA 1.49 2.297 0 C-N-CA 119.837 -1.173 . . . . 0.0 111.276 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.78 -23.87 62.47 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.04 0.924 . . . . 0.0 112.421 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -88.87 -39.49 13.78 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.551 0.691 . . . . 0.0 109.269 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.626 -0.671 . . . . 0.0 110.098 -179.2 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.226 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 -29.79 70.99 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.329 0.585 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 tp -76.47 -46.26 27.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.319 -0.863 . . . . 0.0 110.729 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -63.57 -46.21 86.91 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 117.413 -1.715 . . . . 0.0 107.197 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.1 mt -56.57 -43.92 80.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.484 -1.385 . . . . 0.0 110.695 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.7 -47.77 63.46 Favored Glycine 0 N--CA 1.491 2.351 0 O-C-N 121.136 -0.978 . . . . 0.0 111.464 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -88.19 -36.63 16.7 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 119.862 1.831 . . . . 0.0 112.778 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.61 -11.37 43.81 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.652 -1.28 . . . . 0.0 109.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.32 -41.73 16.4 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.34 61.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.19 -1.182 . . . . 0.0 109.703 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.13 82.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.84 -0.537 . . . . 0.0 110.706 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.46 92.45 Favored Glycine 0 N--CA 1.488 2.159 0 C-N-CA 119.786 -1.197 . . . . 0.0 111.252 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.22 -24.41 62.2 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.732 0.777 . . . . 0.0 112.714 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 m -88.79 -39.43 13.9 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.666 0.746 . . . . 0.0 109.326 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.695 -0.628 . . . . 0.0 109.866 -179.187 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.005 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.07 71.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 122.018 -0.695 . . . . 0.0 110.683 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.1 tt -76.42 -47.35 23.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.379 -0.826 . . . . 0.0 109.943 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -64.31 -46.0 85.46 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 117.404 -1.718 . . . . 0.0 106.92 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.77 -45.38 82.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.199 -1.563 . . . . 0.0 109.867 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.22 -47.2 56.07 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -89.4 -34.96 16.3 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.552 -1.558 . . . . 0.0 111.453 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.75 -18.97 65.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.914 -1.117 . . . . 0.0 109.118 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.73 -39.3 48.66 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.01 63.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.488 -1.007 . . . . 0.0 109.926 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.455 -0.778 . . . . 0.0 111.357 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.49 93.67 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.888 -1.148 . . . . 0.0 111.466 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -70.87 -23.96 62.41 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.007 0.908 . . . . 0.0 112.438 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -88.69 -39.28 14.11 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.564 0.697 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.4 mtp . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.562 -0.711 . . . . 0.0 110.138 -179.179 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.97 73.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.956 -0.732 . . . . 0.0 111.503 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.89 -44.74 30.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.197 -0.939 . . . . 0.0 110.727 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.76 -44.02 91.41 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 117.46 -1.696 . . . . 0.0 107.009 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.98 -43.87 86.8 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.296 -1.503 . . . . 0.0 109.852 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.06 61.38 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 121.212 -0.93 . . . . 0.0 110.812 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -88.23 -33.63 18.04 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.516 -1.579 . . . . 0.0 111.439 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.66 -22.31 66.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.985 -1.072 . . . . 0.0 108.757 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.38 -40.38 55.05 Favored Glycine 0 N--CA 1.492 2.37 0 O-C-N 121.093 -1.004 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.9 -32.42 65.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.063 -1.257 . . . . 0.0 109.949 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.94 74.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.443 -0.786 . . . . 0.0 111.204 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.11 94.0 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.809 -1.186 . . . . 0.0 111.32 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.99 -23.96 62.3 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.901 0.857 . . . . 0.0 112.726 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.2 m -88.86 -39.42 13.84 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.569 0.7 . . . . 0.0 109.371 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.4 mtt . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.591 -0.693 . . . . 0.0 109.907 -179.08 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.073 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.72 70.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 122.133 -0.628 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -76.75 -47.45 21.73 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.228 -0.92 . . . . 0.0 110.614 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.03 -44.3 92.95 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.53 -1.668 . . . . 0.0 106.872 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.45 -44.84 89.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.395 -1.441 . . . . 0.0 110.246 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.37 57.53 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.239 -0.913 . . . . 0.0 110.928 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -87.67 -33.36 18.81 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.348 -1.677 . . . . 0.0 111.416 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.3 -21.76 64.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.008 -1.057 . . . . 0.0 108.418 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.72 -1.39 90.18 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.48 13.37 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.371 -1.076 . . . . 0.0 108.571 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.73 83.21 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.248 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.03 94.0 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.756 -1.211 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.1 t -71.18 -23.85 62.12 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.859 0.838 . . . . 0.0 112.695 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -89.01 -39.38 13.73 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.659 0.743 . . . . 0.0 109.404 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.791 . . . . 0.0 109.972 -179.053 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.218 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.83 71.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 122.064 -0.668 . . . . 0.0 110.678 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.79 -47.42 21.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.362 -0.836 . . . . 0.0 110.425 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -64.28 -46.05 85.37 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 117.509 -1.677 . . . . 0.0 107.193 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.88 -44.21 77.95 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.481 -1.387 . . . . 0.0 110.188 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.92 -46.11 61.01 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.297 -0.954 . . . . 0.0 110.95 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -88.58 -35.09 17.09 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.403 -1.645 . . . . 0.0 112.197 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -62.07 -20.99 64.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.707 -1.246 . . . . 0.0 108.144 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.47 90.26 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.45 -39.32 13.44 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.39 -1.065 . . . . 0.0 108.364 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.45 84.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.08 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.43 93.73 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.761 -1.209 . . . . 0.0 111.118 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -71.17 -24.13 62.18 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.817 0.818 . . . . 0.0 112.647 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.6 m -89.06 -39.68 13.49 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.631 0.729 . . . . 0.0 109.282 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.924 -179.173 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.978 0 N-CA-C 108.43 -1.868 . . . . 0.0 108.43 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.73 -31.61 72.57 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.985 -0.715 . . . . 0.0 111.154 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 mt -76.85 -45.3 28.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.89 -45.77 84.54 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 117.396 -1.721 . . . . 0.0 107.151 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.74 -44.0 69.56 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.263 -1.523 . . . . 0.0 110.026 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.37 -45.71 52.74 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.146 -1.026 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -90.8 -34.66 15.22 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.74 -1.447 . . . . 0.0 111.644 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -65.13 -25.91 67.96 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.671 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.74 -39.65 59.64 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.22 -31.39 63.45 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.45 -1.03 . . . . 0.0 109.902 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.98 74.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.4 -0.813 . . . . 0.0 111.293 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.54 93.11 Favored Glycine 0 N--CA 1.49 2.246 0 O-C-N 120.833 -1.167 . . . . 0.0 111.444 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.984 0.897 . . . . 0.0 112.695 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.93 -38.93 14.13 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.81 . . . . 0.0 110.04 -179.215 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.835 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.48 70.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.723 -0.869 . . . . 0.0 110.586 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.62 -46.43 26.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.705 . . . . 0.0 110.029 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.693 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 16.3 t80 -64.6 -48.38 75.14 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 117.641 -1.624 . . . . 0.0 107.167 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.02 -43.38 81.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.299 -1.5 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.08 -45.35 62.8 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.692 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -88.7 -34.89 17.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.431 -1.629 . . . . 0.0 112.192 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.693 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.1 -18.46 65.36 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.784 -1.197 . . . . 0.0 108.957 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -40.26 58.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.41 63.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -1.055 . . . . 0.0 109.762 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.95 69.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.786 . . . . 0.0 111.376 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.8 93.68 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.87 -1.157 . . . . 0.0 111.333 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 t -70.58 -24.17 62.71 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.938 0.875 . . . . 0.0 112.364 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 m -88.88 -39.26 13.95 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.535 0.683 . . . . 0.0 109.25 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.643 -0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.008 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.05 72.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.97 -0.724 . . . . 0.0 111.23 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.7 mt -76.72 -45.02 30.98 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.286 -0.884 . . . . 0.0 110.45 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.668 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 24.9 t80 -63.25 -46.87 84.91 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 117.738 -1.585 . . . . 0.0 106.952 177.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.44 -43.66 84.09 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.459 -1.4 . . . . 0.0 110.325 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.72 66.68 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 120.228 -0.986 . . . . 0.0 111.226 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -87.66 -34.46 18.44 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.273 -1.721 . . . . 0.0 112.417 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.668 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.69 -19.33 63.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.723 -1.236 . . . . 0.0 108.551 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.42 -1.72 90.21 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.34 -39.28 13.55 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 122.309 1.052 . . . . 0.0 108.535 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.93 82.3 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.115 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.37 94.15 Favored Glycine 0 N--CA 1.49 2.269 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.089 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 t -71.14 -24.0 62.19 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.848 0.832 . . . . 0.0 112.519 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.3 m -89.01 -39.7 13.51 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.628 0.727 . . . . 0.0 109.236 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.695 . . . . 0.0 109.851 -179.251 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.985 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.88 71.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.906 -0.761 . . . . 0.0 110.962 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 mt -76.58 -45.93 28.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.458 -0.777 . . . . 0.0 110.502 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.691 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 15.7 t80 -64.12 -46.54 83.69 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 117.702 -1.599 . . . . 0.0 107.083 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -56.7 -43.85 80.94 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.404 -1.435 . . . . 0.0 110.256 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.25 64.36 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.039 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -88.68 -34.83 17.07 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.488 -1.595 . . . . 0.0 112.227 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.691 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.79 -18.62 65.46 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.802 -1.186 . . . . 0.0 108.963 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.85 -39.91 58.7 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.85 -31.59 64.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.343 -1.093 . . . . 0.0 109.962 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.02 69.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.389 -0.82 . . . . 0.0 111.363 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.38 -39.59 94.25 Favored Glycine 0 N--CA 1.491 2.311 0 C-N-CA 119.848 -1.167 . . . . 0.0 111.301 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.69 -23.88 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.016 0.912 . . . . 0.0 112.423 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -89.01 -39.63 13.55 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.495 0.664 . . . . 0.0 109.239 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.167 -179.192 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.007 0 N-CA-C 108.165 -1.974 . . . . 0.0 108.165 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.81 71.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 122.178 -0.601 . . . . 0.0 111.349 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 8' ' ' LEU . 10.2 mp -76.69 -46.14 26.78 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.232 -0.918 . . . . 0.0 110.278 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.21 -46.29 84.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 117.396 -1.722 . . . . 0.0 107.087 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.73 -44.05 77.16 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.251 -1.531 . . . . 0.0 110.126 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.51 -46.54 65.16 Favored Glycine 0 N--CA 1.489 2.212 0 O-C-N 121.23 -0.919 . . . . 0.0 111.543 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -89.02 -35.92 16.1 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.333 -1.686 . . . . 0.0 112.502 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.16 -14.83 61.54 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.688 -1.258 . . . . 0.0 108.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.93 -39.89 37.18 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -31.76 65.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -1.111 . . . . 0.0 110.085 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.19 72.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.347 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.08 93.93 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.865 -1.16 . . . . 0.0 111.332 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -70.97 -23.91 62.3 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.978 0.895 . . . . 0.0 112.568 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -88.66 -39.15 14.24 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.593 0.711 . . . . 0.0 109.411 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.5 mmt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.56 -0.712 . . . . 0.0 110.006 -179.16 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.03 0 N-CA-C 108.202 -1.959 . . . . 0.0 108.202 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.89 71.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.983 -0.716 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.05 -46.8 22.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.818 . . . . 0.0 110.196 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 19.7 t80 -63.77 -47.27 81.66 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 117.664 -1.615 . . . . 0.0 107.212 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.57 -43.23 84.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.361 -1.462 . . . . 0.0 110.622 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.65 -45.47 68.26 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.03 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -88.38 -35.08 17.34 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.316 -1.697 . . . . 0.0 112.363 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.15 -16.77 63.87 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.693 -1.254 . . . . 0.0 108.803 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.33 -40.64 48.35 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.31 64.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -1.116 . . . . 0.0 109.903 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -50.11 73.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.609 -0.682 . . . . 0.0 111.157 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.28 -39.31 94.33 Favored Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.172 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -71.17 -23.96 62.15 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.894 0.854 . . . . 0.0 112.585 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -89.07 -39.59 13.54 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.61 -0.682 . . . . 0.0 109.985 -179.178 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.758 0 N-CA-C 108.176 -1.97 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.4 71.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.783 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 8' ' ' LEU . 8.3 mp -77.09 -47.81 19.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 0.0 109.938 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' A' ' 13' ' ' LEU . 12.5 t80 -64.2 -46.61 83.16 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.576 -1.65 . . . . 0.0 106.817 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.75 -43.52 80.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.34 -1.475 . . . . 0.0 109.909 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.39 -45.07 66.27 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.14 -1.028 . . . . 0.0 110.713 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -88.97 -35.04 16.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.485 -1.597 . . . . 0.0 112.058 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.653 HD23 ' CE2' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.15 -19.14 65.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.69 -1.256 . . . . 0.0 108.82 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.47 -40.45 54.4 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.56 63.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.413 -1.051 . . . . 0.0 109.609 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -50.12 73.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 111.214 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.6 92.25 Favored Glycine 0 N--CA 1.49 2.244 0 C-N-CA 119.827 -1.177 . . . . 0.0 111.534 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -24.58 62.65 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.923 0.868 . . . . 0.0 112.533 -177.124 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 p -88.86 -38.75 14.34 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 -179.282 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.182 0 N-CA-C 108.825 -1.71 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.25 72.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 122.048 -0.677 . . . . 0.0 111.258 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.96 -45.42 27.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.264 -0.898 . . . . 0.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 20.2 t80 -63.35 -46.48 86.39 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 117.563 -1.655 . . . . 0.0 107.034 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.46 -43.53 84.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.512 -1.367 . . . . 0.0 110.318 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.56 -46.04 66.43 Favored Glycine 0 N--CA 1.491 2.321 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.289 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -88.04 -35.21 17.68 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.299 -1.706 . . . . 0.0 112.48 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.08 -16.26 63.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.753 -1.217 . . . . 0.0 108.849 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.13 41.1 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.922 -1.111 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.66 64.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -1.131 . . . . 0.0 109.91 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.03 78.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.392 -0.818 . . . . 0.0 111.004 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.89 -38.99 93.3 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.41 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -71.19 -24.3 62.2 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.844 0.83 . . . . 0.0 112.909 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 p -89.03 -39.22 13.83 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.637 0.732 . . . . 0.0 109.172 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.2 mmm . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.754 . . . . 0.0 109.957 -179.192 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.095 0 N-CA-C 108.544 -1.823 . . . . 0.0 108.544 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.15 71.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 122.024 -0.692 . . . . 0.0 110.752 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.8 mt -76.78 -46.58 24.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.442 -0.786 . . . . 0.0 110.591 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.47 -45.68 86.35 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.473 -1.691 . . . . 0.0 107.214 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 tp -54.55 -44.15 72.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.269 -1.519 . . . . 0.0 110.221 -178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.97 -46.3 55.66 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 121.051 -1.031 . . . . 0.0 111.064 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -89.8 -35.08 15.9 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.562 -1.552 . . . . 0.0 112.055 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -64.75 -22.05 66.9 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.736 -1.227 . . . . 0.0 108.54 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.93 52.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -32.17 65.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -1.084 . . . . 0.0 110.116 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.41 77.02 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.349 -0.844 . . . . 0.0 111.142 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.87 -39.12 93.36 Favored Glycine 0 N--CA 1.489 2.21 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.5 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -71.11 -24.19 62.24 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.8 0.809 . . . . 0.0 112.824 -177.173 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -89.01 -38.9 14.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.445 -0.784 . . . . 0.0 110.0 -179.185 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.736 0 N-CA-C 108.236 -1.945 . . . . 0.0 108.236 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -30.14 71.34 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.721 -0.87 . . . . 0.0 110.713 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.41 -47.58 22.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.434 -0.791 . . . . 0.0 110.083 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -65.63 -46.26 79.92 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 117.354 -1.738 . . . . 0.0 106.9 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.28 -44.08 75.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 119.97 -1.706 . . . . 0.0 109.754 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.37 -45.28 65.76 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 120.334 -0.936 . . . . 0.0 110.877 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -89.64 -35.82 15.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.449 -1.618 . . . . 0.0 112.065 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.0 -17.33 64.61 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.739 -1.226 . . . . 0.0 108.801 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.61 -40.3 38.7 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -31.16 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.335 -1.097 . . . . 0.0 109.644 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -50.13 73.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.489 -0.757 . . . . 0.0 111.174 -178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.22 -39.69 92.32 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.835 -1.165 . . . . 0.0 111.564 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -70.66 -24.45 62.7 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.935 0.874 . . . . 0.0 112.471 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 p -89.07 -38.94 13.99 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.538 -0.726 . . . . 0.0 110.178 -179.274 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.939 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.26 70.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.774 -0.839 . . . . 0.0 110.471 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.2 tt -77.0 -46.84 22.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.56 -0.712 . . . . 0.0 109.753 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.686 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 18.0 t80 -63.98 -48.34 76.83 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 117.757 -1.577 . . . . 0.0 107.288 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.29 -43.04 82.83 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.209 -1.557 . . . . 0.0 109.908 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.09 -45.4 62.89 Favored Glycine 0 N--CA 1.493 2.442 0 C-N-CA 120.132 -1.032 . . . . 0.0 110.806 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -88.57 -34.79 17.23 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.494 -1.592 . . . . 0.0 112.238 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.686 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.9 -18.09 65.1 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.748 -1.22 . . . . 0.0 109.024 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.29 56.0 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.51 64.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -1.09 . . . . 0.0 109.862 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.88 -50.25 72.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 111.389 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.38 93.38 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.845 -1.169 . . . . 0.0 111.56 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 m -70.67 -24.2 62.64 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.929 0.871 . . . . 0.0 112.648 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.91 -38.97 14.12 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.521 0.676 . . . . 0.0 109.218 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.9 mtt . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.53 -0.731 . . . . 0.0 110.243 -179.254 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.555 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.52 71.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.696 -0.885 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.6 tp -76.42 -46.26 27.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.601 -0.687 . . . . 0.0 109.897 -179.359 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.69 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 17.8 t80 -64.42 -47.36 79.42 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.695 -1.602 . . . . 0.0 106.953 177.644 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.3 mt -57.5 -43.26 84.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.331 -1.481 . . . . 0.0 110.247 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -44.75 71.8 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 120.137 -1.03 . . . . 0.0 110.756 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -88.51 -34.94 17.24 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.45 -1.618 . . . . 0.0 112.165 -179.016 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.06 -17.12 64.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.746 -1.221 . . . . 0.0 109.044 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.08 -40.85 49.82 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.96 -31.44 62.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.327 -1.102 . . . . 0.0 109.693 -179.26 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.82 74.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.436 -0.79 . . . . 0.0 111.25 -178.054 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.38 -39.41 91.64 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.806 -1.188 . . . . 0.0 111.569 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -70.87 -24.61 62.53 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.974 0.892 . . . . 0.0 112.666 -176.991 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -88.91 -38.65 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.4 mtt . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.51 -0.744 . . . . 0.0 110.214 -179.148 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.664 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.57 -30.72 71.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.658 -0.907 . . . . 0.0 110.966 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.48 -45.58 30.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.529 -0.732 . . . . 0.0 110.417 -179.192 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.681 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 16.6 t80 -64.11 -46.86 82.3 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.036 177.742 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.21 -43.35 82.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.474 -1.392 . . . . 0.0 110.554 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.47 -45.33 66.7 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.809 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -88.7 -34.64 17.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.443 -1.622 . . . . 0.0 112.166 -179.009 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.681 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.01 -18.11 65.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.734 -1.228 . . . . 0.0 108.97 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.35 -40.5 54.92 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.06 62.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -1.095 . . . . 0.0 109.708 -179.292 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -50.68 70.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 111.435 -178.14 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.79 93.64 Favored Glycine 0 N--CA 1.491 2.3 0 C-N-CA 119.875 -1.155 . . . . 0.0 111.42 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 t -70.74 -24.14 62.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.984 0.897 . . . . 0.0 112.453 -177.28 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.3 m -88.95 -39.47 13.72 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.56 0.695 . . . . 0.0 109.192 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.493 -0.754 . . . . 0.0 110.288 -179.044 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.218 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.75 73.0 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 122.177 -0.602 . . . . 0.0 111.339 -179.698 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.93 -45.39 27.96 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.243 -0.911 . . . . 0.0 110.572 -179.088 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.653 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 21.3 t80 -63.09 -45.6 91.34 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.952 177.9 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.1 -43.85 87.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.506 -1.371 . . . . 0.0 110.51 -178.643 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.03 -46.29 69.96 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.384 -178.754 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.58 -35.42 18.11 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.307 -1.702 . . . . 0.0 112.575 -178.412 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.653 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -64.86 -14.43 59.44 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.751 -1.218 . . . . 0.0 108.932 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.09 -42.41 24.41 Favored Glycine 0 N--CA 1.494 2.52 0 O-C-N 120.84 -1.163 . . . . 0.0 110.507 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -32.74 62.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.144 -1.209 . . . . 0.0 109.695 -179.262 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.17 82.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.69 -0.631 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.67 93.09 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.864 -1.16 . . . . 0.0 111.147 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 p -71.17 -24.41 62.24 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.743 0.783 . . . . 0.0 112.71 -177.181 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.5 m -88.8 -39.13 14.11 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.572 0.701 . . . . 0.0 109.229 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.417 0.627 . . . . 0.0 109.622 -179.28 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.052 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.75 71.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 122.147 -0.619 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.18 -46.86 21.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -0.768 . . . . 0.0 110.308 -179.515 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.677 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 25.1 t80 -63.54 -46.48 85.78 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 117.673 -1.611 . . . . 0.0 107.025 177.876 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.66 -43.51 85.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.464 -1.398 . . . . 0.0 110.282 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.46 70.92 Favored Glycine 0 N--CA 1.491 2.305 0 O-C-N 121.149 -0.969 . . . . 0.0 111.068 -178.717 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -87.67 -34.55 18.4 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.361 -1.67 . . . . 0.0 112.54 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.677 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.9 -18.68 63.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.703 -1.248 . . . . 0.0 108.502 179.873 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.74 -1.5 90.22 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.22 -39.13 13.74 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 122.402 1.096 . . . . 0.0 108.386 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.16 81.28 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.171 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.51 -39.55 94.03 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.779 -1.201 . . . . 0.0 111.112 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -71.08 -24.05 62.24 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.915 0.864 . . . . 0.0 112.5 -177.236 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -88.98 -39.57 13.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.721 0.772 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.5 mtt . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.198 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.908 0 N-CA-C 108.051 -2.02 . . . . 0.0 108.051 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.78 70.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 122.034 -0.686 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -76.91 -48.03 19.39 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.268 -179.027 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.677 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 13.2 t80 -63.95 -46.53 84.26 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 117.573 -1.651 . . . . 0.0 106.783 177.794 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.71 -43.79 80.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.454 -1.403 . . . . 0.0 110.092 -178.914 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.67 64.63 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.178 -0.952 . . . . 0.0 110.962 -179.039 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -88.83 -35.23 16.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.318 -1.696 . . . . 0.0 112.267 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.677 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.84 -18.2 65.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.621 -1.3 . . . . 0.0 108.867 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.49 -40.46 54.27 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -31.6 63.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.425 -1.044 . . . . 0.0 109.595 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.62 70.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.522 -0.736 . . . . 0.0 111.203 -178.058 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.8 93.74 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.825 -1.178 . . . . 0.0 111.283 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.7 t -70.73 -24.24 62.6 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.887 0.851 . . . . 0.0 112.413 -177.356 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -88.96 -39.44 13.73 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.621 0.724 . . . . 0.0 109.163 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.543 -0.723 . . . . 0.0 110.146 -179.261 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.129 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.4 71.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.951 -0.735 . . . . 0.0 110.649 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -76.91 -46.09 25.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.251 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.665 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 26.6 t80 -63.59 -47.18 82.54 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 117.557 -1.657 . . . . 0.0 107.138 177.837 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.82 -43.52 85.83 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.419 -1.426 . . . . 0.0 110.839 -178.728 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.41 71.01 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.216 -0.993 . . . . 0.0 111.074 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -87.59 -34.74 18.42 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.296 -1.708 . . . . 0.0 112.528 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.665 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.76 -18.13 62.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.754 -1.217 . . . . 0.0 108.587 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.37 -1.85 90.25 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.18 13.56 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 122.353 1.073 . . . . 0.0 108.452 178.095 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.78 82.98 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.222 -178.004 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.31 93.81 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.826 -1.178 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.16 -23.95 62.15 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.961 0.886 . . . . 0.0 112.569 -177.232 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.3 m -88.85 -39.5 13.8 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.716 0.769 . . . . 0.0 109.382 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.519 -0.738 . . . . 0.0 109.999 -179.23 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.19 0 N-CA-C 108.884 -1.687 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.35 72.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 122.081 -0.658 . . . . 0.0 110.902 -179.718 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.73 -45.83 27.78 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.36 -0.837 . . . . 0.0 110.71 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.88 -46.73 83.61 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 117.374 -1.731 . . . . 0.0 107.132 177.623 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.8 mt -55.88 -43.63 77.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.282 -1.511 . . . . 0.0 110.408 -178.673 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.96 -46.38 61.02 Favored Glycine 0 N--CA 1.49 2.271 0 O-C-N 121.144 -0.973 . . . . 0.0 110.977 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -89.0 -35.65 16.27 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.447 -1.619 . . . . 0.0 112.299 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -64.78 -18.3 64.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.778 -1.201 . . . . 0.0 108.643 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.99 -41.17 33.3 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.36 63.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -1.21 . . . . 0.0 109.755 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.656 -0.653 . . . . 0.0 110.889 -178.175 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.21 -39.53 92.33 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.35 -179.262 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.3 m -71.01 -24.73 62.43 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.731 0.777 . . . . 0.0 112.798 -177.066 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -88.7 -38.95 14.35 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 ttt . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.549 -0.719 . . . . 0.0 109.823 -179.348 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.015 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.02 71.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 122.038 -0.683 . . . . 0.0 110.969 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 mt -76.87 -46.23 25.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 0.0 110.298 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.673 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 13.3 t80 -63.9 -46.43 84.87 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 117.612 -1.635 . . . . 0.0 106.985 177.801 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.21 -43.82 78.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.463 -1.398 . . . . 0.0 110.291 -178.78 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.83 -45.66 60.88 Favored Glycine 0 N--CA 1.491 2.354 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.006 -178.901 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -88.95 -34.82 16.76 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.447 -1.62 . . . . 0.0 112.175 -179.161 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.673 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.68 -19.44 65.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.667 -1.271 . . . . 0.0 108.859 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.05 -39.79 57.94 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.75 65.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.47 -1.018 . . . . 0.0 109.931 -179.295 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -50.87 70.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -0.759 . . . . 0.0 111.348 -178.006 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.53 94.15 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.772 -1.204 . . . . 0.0 111.152 -178.977 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -70.79 -23.95 62.48 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.983 0.897 . . . . 0.0 112.462 -177.334 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -89.07 -39.64 13.5 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.652 -0.655 . . . . 0.0 110.068 -179.079 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.655 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.24 70.93 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.539 -0.977 . . . . 0.0 110.645 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.9 tp -76.61 -46.36 26.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.567 -0.708 . . . . 0.0 110.157 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' PHE . . . . . 0.679 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 17.6 t80 -64.52 -48.06 76.54 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 117.693 -1.603 . . . . 0.0 107.128 177.748 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.65 -43.21 84.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.315 -1.491 . . . . 0.0 109.758 -178.83 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.4 -45.58 65.63 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.811 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -88.41 -35.08 17.29 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.371 -1.664 . . . . 0.0 112.278 -178.988 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.679 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.94 -16.8 64.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.743 -1.223 . . . . 0.0 109.015 -179.909 . . . . . . . . 3 3 . 1 . 029 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.51 -40.46 54.17 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.72 63.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -1.093 . . . . 0.0 109.776 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -50.49 71.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.56 -0.713 . . . . 0.0 111.399 -178.06 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.4 93.6 Favored Glycine 0 N--CA 1.49 2.239 0 C-N-CA 119.844 -1.169 . . . . 0.0 111.355 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -70.89 -24.06 62.41 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.997 0.903 . . . . 0.0 112.446 -177.346 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -88.77 -39.44 13.92 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.598 0.713 . . . . 0.0 109.233 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.497 -0.752 . . . . 0.0 110.128 -179.16 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.134 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.93 73.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 122.101 -0.647 . . . . 0.0 111.323 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 8' ' ' LEU . 10.5 mp -77.07 -45.29 27.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.309 -0.869 . . . . 0.0 110.011 -179.27 . . . . . . . . 2 2 . 1 . 030 nuclear build core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.23 -46.14 85.14 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 117.416 -1.714 . . . . 0.0 107.176 177.606 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.91 -43.82 77.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.336 -1.478 . . . . 0.0 109.947 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.05 -45.54 62.35 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.946 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -88.79 -35.04 16.87 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.466 -1.608 . . . . 0.0 112.133 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -62.12 -22.21 65.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.832 -1.167 . . . . 0.0 108.108 179.681 . . . . . . . . 3 3 . 1 . 030 nuclear build core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.32 -1.52 90.09 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.39 -39.23 13.55 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 122.338 1.066 . . . . 0.0 108.47 178.198 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.131 -178.015 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.63 -39.09 93.72 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.372 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -71.11 -24.43 62.29 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.85 0.833 . . . . 0.0 112.906 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -88.97 -39.05 14.0 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.64 0.733 . . . . 0.0 109.233 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtt . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 109.987 -179.184 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.441 0.639 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 t 55.25 47.62 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.477 -0.764 . . . . 0.0 110.12 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.4 -77.97 1.32 Allowed Glycine 0 N--CA 1.502 3.065 0 O-C-N 120.736 -1.227 . . . . 0.0 111.259 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.4 mt -67.4 -25.02 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.371 -1.076 . . . . 0.0 109.238 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -48.64 -27.07 5.81 Favored Glycine 0 N--CA 1.502 3.092 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.83 71.89 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.992 -0.711 . . . . 0.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.11 -44.36 38.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 110.901 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -64.01 -46.42 84.57 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 117.443 -1.703 . . . . 0.0 107.058 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.1 tt -55.95 -45.12 78.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.318 -1.489 . . . . 0.0 110.254 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.21 -47.11 62.03 Favored Glycine 0 N--CA 1.491 2.33 0 O-C-N 121.143 -0.973 . . . . 0.0 111.78 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -88.0 -35.65 17.47 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.178 -1.778 . . . . 0.0 112.844 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.63 -14.97 49.32 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.698 -1.251 . . . . 0.0 108.64 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.53 -1.47 89.21 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.32 -38.85 13.86 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 122.304 1.05 . . . . 0.0 108.571 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.42 84.64 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.322 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.54 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.699 -1.238 . . . . 0.0 111.279 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -71.11 -23.99 62.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.927 0.87 . . . . 0.0 112.672 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.5 m -88.68 -39.07 14.28 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.55 0.69 . . . . 0.0 109.35 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.3 ttt -77.07 -13.79 59.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.544 -0.723 . . . . 0.0 109.933 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.8 -28.62 56.57 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.79 -31.6 66.77 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.269 -1.136 . . . . 0.0 109.64 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.69 -0.58 9.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.182 -0.949 . . . . 0.0 109.44 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.0 p -80.12 43.35 0.61 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.411 -0.806 . . . . 0.0 109.408 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.53 ' SD ' ' N ' ' A' ' 25' ' ' MET . 1.8 mpt? 50.46 90.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.483 -0.76 . . . . 0.0 109.958 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.5 p -69.64 7.06 0.93 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.907 . . . . 0.0 109.551 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.4 mp -59.69 -80.19 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.168 -0.957 . . . . 0.0 108.912 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 m -164.9 -23.02 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.192 -0.943 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.8 147.68 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.299 -0.876 . . . . 0.0 109.476 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -67.27 -95.95 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 0.0 109.467 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.903 . . . . 0.0 109.434 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 t 63.7 -59.38 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 121.007 0.432 . . . . 0.0 109.942 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 173.69 -157.06 25.15 Favored Glycine 0 N--CA 1.487 2.035 0 O-C-N 120.952 -1.092 . . . . 0.0 112.329 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 tp -65.89 -33.03 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.365 0.603 . . . . 0.0 110.842 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.82 -30.47 21.78 Favored Glycine 0 N--CA 1.502 3.083 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.48 72.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.778 -0.837 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.87 -42.56 48.96 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.122 -0.986 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -61.95 -48.18 81.55 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 117.592 -1.643 . . . . 0.0 106.837 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 mt -58.88 -43.36 90.92 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.437 -1.414 . . . . 0.0 110.956 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.27 -46.79 70.58 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.236 -0.915 . . . . 0.0 111.557 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -87.27 -34.88 18.76 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 119.866 1.833 . . . . 0.0 112.69 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.21 -13.69 40.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.752 -1.217 . . . . 0.0 108.86 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.61 -1.87 90.04 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.18 -39.39 13.6 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.387 1.089 . . . . 0.0 108.517 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.69 83.36 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.131 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.23 93.99 Favored Glycine 0 N--CA 1.49 2.299 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.077 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -71.19 -24.03 62.15 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.865 0.84 . . . . 0.0 112.598 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -88.93 -39.51 13.71 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.673 0.749 . . . . 0.0 109.319 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 mtt -77.12 18.55 0.37 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.008 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.3 -14.85 64.82 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.46 -55.5 7.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.313 -1.11 . . . . 0.0 109.365 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.74 36.13 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.188 -0.945 . . . . 0.0 109.787 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 22' ' ' ALA . 32.3 t -160.08 52.74 0.33 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.163 -0.96 . . . . 0.0 109.468 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.1 mtt 53.79 100.39 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.323 -0.861 . . . . 0.0 110.066 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.8 p -57.37 -176.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.136 -0.978 . . . . 0.0 109.487 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -67.8 -73.06 0.15 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.293 -0.879 . . . . 0.0 109.388 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 t -172.97 16.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.3 176.97 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.0 109.532 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -59.12 131.55 51.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.215 -0.928 . . . . 0.0 109.425 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.297 0.57 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.8 t 55.07 102.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.503 -0.748 . . . . 0.0 110.35 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.95 21.19 0.02 OUTLIER Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.004 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.9 mt -67.39 -29.29 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.649 -1.501 . . . . 0.0 108.748 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.04 -32.3 42.1 Favored Glycine 0 N--CA 1.498 2.808 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.48 71.63 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.938 -0.743 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.63 -47.0 23.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.803 . . . . 0.0 110.123 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.671 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 12.3 t80 -63.89 -46.17 86.09 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.682 -1.607 . . . . 0.0 107.028 177.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.11 -43.7 78.37 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.358 -1.464 . . . . 0.0 110.433 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.63 -45.97 59.5 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.231 -0.985 . . . . 0.0 111.104 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -89.14 -34.38 16.73 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.499 -1.589 . . . . 0.0 111.88 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.671 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.93 -19.71 65.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.629 -1.295 . . . . 0.0 108.877 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.62 -39.71 55.34 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.54 64.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.431 -1.041 . . . . 0.0 109.895 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.5 71.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.398 -0.814 . . . . 0.0 111.365 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.16 93.53 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.819 -1.175 . . . . 0.0 111.542 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.6 t -70.75 -24.28 62.59 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.897 0.856 . . . . 0.0 112.626 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p -88.89 -38.85 14.23 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.8 mmt -77.76 13.31 1.37 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.972 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.16 -33.0 84.45 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.4 -2.47 16.63 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.217 -1.166 . . . . 0.0 109.47 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 7.47 1.32 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.243 -0.911 . . . . 0.0 109.4 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 22' ' ' ALA . 43.3 m -79.6 45.16 0.66 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.388 -0.82 . . . . 0.0 109.477 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.2 mtt 51.51 84.39 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.0 p -65.24 139.64 58.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.938 . . . . 0.0 109.421 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.5 mp -59.81 90.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.33 -0.856 . . . . 0.0 108.869 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.0 p -65.86 111.0 3.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -0.904 . . . . 0.0 109.539 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.75 -163.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.227 -0.92 . . . . 0.0 109.497 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.519 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 16.2 mp0 -59.16 170.34 0.93 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.25 -0.907 . . . . 0.0 109.512 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t 52.25 -93.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.311 -0.868 . . . . 0.0 109.185 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 170.96 87.4 0.07 OUTLIER Glycine 0 N--CA 1.491 2.315 0 O-C-N 121.146 -0.971 . . . . 0.0 111.734 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.9 mt -67.53 -25.05 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.043 -1.269 . . . . 0.0 107.935 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.6 -28.78 16.4 Favored Glycine 0 N--CA 1.499 2.85 0 N-CA-C 108.534 -1.827 . . . . 0.0 108.534 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.06 72.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.843 -0.798 . . . . 0.0 111.099 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.38 -44.64 35.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.382 -0.824 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.36 -47.33 76.79 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 117.428 -1.709 . . . . 0.0 107.228 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -54.68 -43.8 72.8 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.007 -1.683 . . . . 0.0 109.555 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.33 -45.84 57.97 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.203 -0.998 . . . . 0.0 110.817 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -90.08 -35.54 15.4 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.485 -1.597 . . . . 0.0 112.139 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.51 -19.08 65.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.627 -1.296 . . . . 0.0 108.71 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.32 -39.23 52.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.41 64.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.52 -0.988 . . . . 0.0 109.983 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.07 69.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.53 94.2 Favored Glycine 0 N--CA 1.49 2.297 0 C-N-CA 119.837 -1.173 . . . . 0.0 111.276 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.78 -23.87 62.47 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.04 0.924 . . . . 0.0 112.421 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -88.87 -39.49 13.78 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.551 0.691 . . . . 0.0 109.269 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.6 mmt -77.81 9.9 3.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.626 -0.671 . . . . 0.0 110.098 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.09 -20.93 71.41 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.646 -1.381 . . . . 0.0 109.646 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.52 -9.86 58.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -1.14 . . . . 0.0 109.467 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.07 -1.45 12.3 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 0.0 109.512 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.7 t -79.92 39.35 0.43 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.357 -0.84 . . . . 0.0 109.408 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.3 mtt 52.13 31.8 9.54 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.367 -0.833 . . . . 0.0 110.033 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.9 p -70.63 -33.31 70.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.132 -0.98 . . . . 0.0 109.423 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.77 -2.08 6.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 109.423 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.8 m -61.22 -20.89 63.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m -59.82 -164.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.219 -0.926 . . . . 0.0 109.485 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 8.5 mp0 -63.58 172.26 2.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.92 . . . . 0.0 109.338 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.438 -0.789 . . . . 0.0 109.89 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t 52.31 -95.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.38 -0.825 . . . . 0.0 108.957 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 6' ' ' GLY . . . 172.77 -122.42 0.93 Allowed Glycine 0 N--CA 1.488 2.159 0 C-N-CA 120.209 -0.996 . . . . 0.0 112.139 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' C ' ' N ' ' A' ' 7' ' ' ALA . 36.8 pt -71.09 20.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.809 -0.818 . . . . 0.0 110.889 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 4' ' ' GLY . . . -46.47 -25.51 2.09 Favored Glycine 0 N--CA 1.504 3.226 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 5' ' ' ILE . . . -63.64 -29.79 70.99 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.329 0.585 . . . . 0.0 110.659 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 tp -76.47 -46.26 27.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.319 -0.863 . . . . 0.0 110.729 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -63.57 -46.21 86.91 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 117.413 -1.715 . . . . 0.0 107.197 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.1 mt -56.57 -43.92 80.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.484 -1.385 . . . . 0.0 110.695 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.7 -47.77 63.46 Favored Glycine 0 N--CA 1.491 2.351 0 O-C-N 121.136 -0.978 . . . . 0.0 111.464 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -88.19 -36.63 16.7 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 119.862 1.831 . . . . 0.0 112.778 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.61 -11.37 43.81 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.652 -1.28 . . . . 0.0 109.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.32 -41.73 16.4 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.34 61.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.19 -1.182 . . . . 0.0 109.703 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.13 82.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.84 -0.537 . . . . 0.0 110.706 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.46 92.45 Favored Glycine 0 N--CA 1.488 2.159 0 C-N-CA 119.786 -1.197 . . . . 0.0 111.252 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.22 -24.41 62.2 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.732 0.777 . . . . 0.0 112.714 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 m -88.79 -39.43 13.9 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.666 0.746 . . . . 0.0 109.326 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt -77.51 5.57 8.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.695 -0.628 . . . . 0.0 109.866 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.07 -2.85 89.27 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.31 -37.7 71.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.288 -1.125 . . . . 0.0 109.57 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.31 7.9 1.18 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.286 -0.884 . . . . 0.0 109.397 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 22' ' ' ALA . 29.5 t -79.43 42.49 0.51 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.418 -0.801 . . . . 0.0 109.541 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.0 tpt 53.1 92.84 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.24 -0.912 . . . . 0.0 109.773 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 28' ' ' THR . 42.8 p -69.14 138.02 53.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.235 -0.915 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.502 ' N ' HD22 ' A' ' 27' ' ' LEU . 3.0 mm? -71.4 8.47 1.04 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 0.0 108.902 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' THR . 8.4 p 53.03 -147.8 0.46 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.173 -0.954 . . . . 0.0 109.803 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.6 t -57.95 133.5 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.936 . . . . 0.0 109.557 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.2 165.27 14.08 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.246 -0.909 . . . . 0.0 109.386 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.201 -0.937 . . . . 0.0 109.51 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.0 t 58.69 -0.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.567 -0.708 . . . . 0.0 110.023 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -88.61 68.1 2.92 Favored Glycine 0 N--CA 1.497 2.713 0 O-C-N 120.743 -1.223 . . . . 0.0 111.514 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.8 pt -67.24 -28.28 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.104 -1.233 . . . . 0.0 108.506 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.21 -29.71 16.2 Favored Glycine 0 N--CA 1.501 3.005 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.07 71.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 122.018 -0.695 . . . . 0.0 110.683 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.1 tt -76.42 -47.35 23.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.379 -0.826 . . . . 0.0 109.943 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -64.31 -46.0 85.46 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 117.404 -1.718 . . . . 0.0 106.92 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.77 -45.38 82.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.199 -1.563 . . . . 0.0 109.867 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.22 -47.2 56.07 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -89.4 -34.96 16.3 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.552 -1.558 . . . . 0.0 111.453 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.75 -18.97 65.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.914 -1.117 . . . . 0.0 109.118 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.73 -39.3 48.66 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.01 63.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.488 -1.007 . . . . 0.0 109.926 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.455 -0.778 . . . . 0.0 111.357 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.49 93.67 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.888 -1.148 . . . . 0.0 111.466 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -70.87 -23.96 62.41 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.007 0.908 . . . . 0.0 112.438 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -88.69 -39.28 14.11 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.564 0.697 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.4 mtp -77.84 -5.76 51.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.562 -0.711 . . . . 0.0 110.138 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.71 5.94 10.37 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.91 -34.42 69.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.179 -1.189 . . . . 0.0 109.606 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 8.46 1.01 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.22 -0.925 . . . . 0.0 109.59 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 22' ' ' ALA . 34.4 t -79.68 40.3 0.44 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.919 . . . . 0.0 109.524 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 53.7 mtm 51.45 -155.79 0.14 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.251 -0.906 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.2 p -68.19 85.73 0.26 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 109.38 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt 56.06 171.08 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.33 -0.856 . . . . 0.0 109.606 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.4 p -69.74 167.6 16.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.226 -0.921 . . . . 0.0 109.503 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' ALA . 35.9 t -67.81 89.84 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.269 -0.894 . . . . 0.0 109.433 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -62.08 82.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.0 109.523 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.241 -0.912 . . . . 0.0 109.368 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 t 56.19 16.37 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-O 122.057 0.932 . . . . 0.0 109.009 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 127.33 1.0 Allowed Glycine 0 N--CA 1.488 2.144 0 O-C-N 121.427 -0.796 . . . . 0.0 111.179 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.9 mt -67.49 -19.06 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -48.46 -26.28 5.01 Favored Glycine 0 N--CA 1.502 3.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.97 73.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.956 -0.732 . . . . 0.0 111.503 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.89 -44.74 30.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.197 -0.939 . . . . 0.0 110.727 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.76 -44.02 91.41 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 117.46 -1.696 . . . . 0.0 107.009 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.98 -43.87 86.8 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.296 -1.503 . . . . 0.0 109.852 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.06 61.38 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 121.212 -0.93 . . . . 0.0 110.812 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -88.23 -33.63 18.04 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.516 -1.579 . . . . 0.0 111.439 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.66 -22.31 66.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.985 -1.072 . . . . 0.0 108.757 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.38 -40.38 55.05 Favored Glycine 0 N--CA 1.492 2.37 0 O-C-N 121.093 -1.004 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.9 -32.42 65.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.063 -1.257 . . . . 0.0 109.949 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.94 74.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.443 -0.786 . . . . 0.0 111.204 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.11 94.0 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.809 -1.186 . . . . 0.0 111.32 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.99 -23.96 62.3 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.901 0.857 . . . . 0.0 112.726 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 21' ' ' GLY . 41.2 m -88.86 -39.42 13.84 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.569 0.7 . . . . 0.0 109.371 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.4 mtt -77.36 23.72 0.2 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.591 -0.693 . . . . 0.0 109.907 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -68.6 -50.49 36.63 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.37 -37.86 71.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.164 -1.198 . . . . 0.0 109.622 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.71 18.1 0.1 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.285 -0.884 . . . . 0.0 109.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' ALA . 43.0 m -78.76 35.52 0.24 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.189 -0.944 . . . . 0.0 109.581 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.9 ttt 51.56 88.15 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.388 -0.82 . . . . 0.0 110.128 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -69.12 111.1 4.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 0.0 109.354 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 tp -170.1 -47.59 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.311 -0.868 . . . . 0.0 109.017 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -57.59 139.5 53.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.567 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.9 t -66.9 85.36 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.208 -0.932 . . . . 0.0 109.462 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 52.38 -158.28 0.13 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.422 -0.799 . . . . 0.0 109.843 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.309 -0.87 . . . . 0.0 109.47 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 t 59.5 124.74 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.841 0.829 . . . . 0.0 110.945 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.08 -119.93 0.76 Allowed Glycine 0 N--CA 1.489 2.195 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.722 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 94.4 mt -68.0 -14.98 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.758 -0.848 . . . . 0.0 108.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.85 -27.19 4.66 Favored Glycine 0 N--CA 1.502 3.073 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.72 70.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 122.133 -0.628 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -76.75 -47.45 21.73 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.228 -0.92 . . . . 0.0 110.614 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.03 -44.3 92.95 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.53 -1.668 . . . . 0.0 106.872 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.45 -44.84 89.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.395 -1.441 . . . . 0.0 110.246 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.37 57.53 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.239 -0.913 . . . . 0.0 110.928 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -87.67 -33.36 18.81 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.348 -1.677 . . . . 0.0 111.416 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.3 -21.76 64.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.008 -1.057 . . . . 0.0 108.418 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.72 -1.39 90.18 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.48 13.37 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.371 -1.076 . . . . 0.0 108.571 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.73 83.21 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.248 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.03 94.0 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.756 -1.211 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.1 t -71.18 -23.85 62.12 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.859 0.838 . . . . 0.0 112.695 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -89.01 -39.38 13.73 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.659 0.743 . . . . 0.0 109.404 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.5 mtt -77.4 5.96 7.8 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.791 . . . . 0.0 109.972 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.11 -13.39 81.06 Favored Glycine 0 N--CA 1.496 2.669 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.7 -31.44 66.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.27 -1.135 . . . . 0.0 109.607 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.64 5.6 1.81 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.151 -0.968 . . . . 0.0 109.387 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 22' ' ' ALA . 27.9 m -79.94 75.52 6.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.381 -0.825 . . . . 0.0 109.466 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.2 ttt 53.01 99.46 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.428 -0.795 . . . . 0.0 110.002 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.4 m -164.51 -17.75 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.251 -0.906 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -169.54 -53.84 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.168 -0.957 . . . . 0.0 108.941 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.6 p -61.21 127.13 30.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.222 -0.924 . . . . 0.0 109.418 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' C ' ' H ' ' A' ' 31' ' ' ALA . 22.7 t -58.8 144.57 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.426 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -70.06 8.62 0.7 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.274 -0.891 . . . . 0.0 109.657 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.204 -0.935 . . . . 0.0 109.45 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t 60.27 147.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.962 0.887 . . . . 0.0 110.264 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.14 177.75 44.46 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.0 pt -68.84 -3.31 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.903 -0.763 . . . . 0.0 109.087 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.18 -25.65 1.93 Allowed Glycine 0 N--CA 1.504 3.218 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.83 71.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 122.064 -0.668 . . . . 0.0 110.678 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.79 -47.42 21.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.362 -0.836 . . . . 0.0 110.425 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -64.28 -46.05 85.37 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 117.509 -1.677 . . . . 0.0 107.193 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.88 -44.21 77.95 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.481 -1.387 . . . . 0.0 110.188 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.92 -46.11 61.01 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.297 -0.954 . . . . 0.0 110.95 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -88.58 -35.09 17.09 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.403 -1.645 . . . . 0.0 112.197 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -62.07 -20.99 64.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.707 -1.246 . . . . 0.0 108.144 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.47 90.26 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.45 -39.32 13.44 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.39 -1.065 . . . . 0.0 108.364 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.45 84.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.08 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.43 93.73 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.761 -1.209 . . . . 0.0 111.118 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -71.17 -24.13 62.18 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.817 0.818 . . . . 0.0 112.647 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.6 m -89.06 -39.68 13.49 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.631 0.729 . . . . 0.0 109.282 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 mmt -77.18 15.76 0.68 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.924 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.1 -33.57 59.27 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.13 -47.01 54.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.165 -1.197 . . . . 0.0 109.554 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.01 4.28 2.77 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.883 . . . . 0.0 109.62 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 p -79.56 59.56 3.02 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.315 -0.866 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 52.2 mtm 51.81 91.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.235 -0.915 . . . . 0.0 109.94 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -57.85 143.88 40.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.597 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.11 -59.32 3.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -0.868 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 p -64.26 168.46 5.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 109.474 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 31' ' ' ALA . 33.0 t -62.08 153.6 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -0.909 . . . . 0.0 109.397 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -57.35 -7.7 0.63 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.112 -0.992 . . . . 0.0 109.562 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.234 -0.916 . . . . 0.0 109.485 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.285 0.564 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t 53.95 37.5 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.304 -0.873 . . . . 0.0 109.482 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.76 69.49 3.08 Favored Glycine 0 N--CA 1.495 2.597 0 O-C-N 120.973 -1.079 . . . . 0.0 111.404 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 tt -67.09 -27.89 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.091 -1.241 . . . . 0.0 108.313 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.53 -28.42 10.12 Favored Glycine 0 N--CA 1.501 2.978 0 N-CA-C 108.43 -1.868 . . . . 0.0 108.43 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.73 -31.61 72.57 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.985 -0.715 . . . . 0.0 111.154 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 mt -76.85 -45.3 28.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.89 -45.77 84.54 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 117.396 -1.721 . . . . 0.0 107.151 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.74 -44.0 69.56 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.263 -1.523 . . . . 0.0 110.026 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.37 -45.71 52.74 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.146 -1.026 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -90.8 -34.66 15.22 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.74 -1.447 . . . . 0.0 111.644 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -65.13 -25.91 67.96 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.671 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.74 -39.65 59.64 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.22 -31.39 63.45 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.45 -1.03 . . . . 0.0 109.902 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.98 74.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.4 -0.813 . . . . 0.0 111.293 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.54 93.11 Favored Glycine 0 N--CA 1.49 2.246 0 O-C-N 120.833 -1.167 . . . . 0.0 111.444 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.984 0.897 . . . . 0.0 112.695 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.93 -38.93 14.13 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.1 mmt -77.78 -33.55 52.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.81 . . . . 0.0 110.04 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.55 -44.29 33.57 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -1.46 13.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -1.147 . . . . 0.0 109.44 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 25' ' ' MET . . . -71.12 5.46 2.1 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.913 . . . . 0.0 109.429 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.3 p -79.64 31.01 0.24 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.455 -0.778 . . . . 0.0 109.352 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.4 ' H ' ' C ' ' A' ' 23' ' ' ALA . 25.9 ttt 52.45 74.06 0.3 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.405 -0.81 . . . . 0.0 109.903 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.7 p -70.59 127.88 34.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -0.968 . . . . 0.0 109.391 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.97 -19.56 65.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.0 109.196 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 t -171.84 143.35 1.63 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 109.374 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -69.77 138.33 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.157 -0.964 . . . . 0.0 109.538 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -77.82 133.89 38.1 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.249 -0.907 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.305 -0.872 . . . . 0.0 109.524 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t 52.6 -99.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.912 . . . . 0.0 108.905 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.46 57.5 0.04 OUTLIER Glycine 0 N--CA 1.49 2.292 0 O-C-N 121.093 -1.004 . . . . 0.0 111.758 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.36 -30.11 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.872 -1.37 . . . . 0.0 108.653 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.25 -31.72 35.04 Favored Glycine 0 N--CA 1.499 2.835 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.48 70.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.723 -0.869 . . . . 0.0 110.586 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.62 -46.43 26.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.705 . . . . 0.0 110.029 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.693 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 16.3 t80 -64.6 -48.38 75.14 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 117.641 -1.624 . . . . 0.0 107.167 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.02 -43.38 81.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.299 -1.5 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.08 -45.35 62.8 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.692 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -88.7 -34.89 17.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.431 -1.629 . . . . 0.0 112.192 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.693 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.1 -18.46 65.36 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.784 -1.197 . . . . 0.0 108.957 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -40.26 58.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.41 63.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -1.055 . . . . 0.0 109.762 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.95 69.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.786 . . . . 0.0 111.376 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.8 93.68 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.87 -1.157 . . . . 0.0 111.333 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 t -70.58 -24.17 62.71 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.938 0.875 . . . . 0.0 112.364 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 m -88.88 -39.26 13.95 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.535 0.683 . . . . 0.0 109.25 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 tpt -78.23 -33.89 49.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.643 -0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.59 -41.16 44.68 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.43 63.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -1.146 . . . . 0.0 109.508 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 -0.76 10.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.882 . . . . 0.0 109.504 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.4 t -160.6 29.12 0.16 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.385 -0.822 . . . . 0.0 109.313 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.518 ' SD ' ' N ' ' A' ' 25' ' ' MET . 1.8 mpt? 51.22 -179.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.494 -0.754 . . . . 0.0 110.105 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.0 p -83.79 115.52 22.27 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.269 -0.894 . . . . 0.0 109.523 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -165.82 5.62 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.244 -0.91 . . . . 0.0 109.183 179.818 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 50.2 p -68.43 118.21 11.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.193 -0.942 . . . . 0.0 109.468 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 t -66.61 132.81 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.436 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -60.13 -54.95 39.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -0.894 . . . . 0.0 109.265 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.337 -0.852 . . . . 0.0 109.456 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 t 64.73 -55.68 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-O 121.291 0.567 . . . . 0.0 109.844 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 170.84 143.45 3.98 Favored Glycine 0 N--CA 1.488 2.105 0 O-C-N 121.257 -0.902 . . . . 0.0 110.941 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.57 -17.79 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.1 -25.71 2.72 Favored Glycine 0 N--CA 1.501 3.008 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.05 72.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.97 -0.724 . . . . 0.0 111.23 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.7 mt -76.72 -45.02 30.98 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.286 -0.884 . . . . 0.0 110.45 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.668 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 24.9 t80 -63.25 -46.87 84.91 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 117.738 -1.585 . . . . 0.0 106.952 177.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.44 -43.66 84.09 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.459 -1.4 . . . . 0.0 110.325 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.72 66.68 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 120.228 -0.986 . . . . 0.0 111.226 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -87.66 -34.46 18.44 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.273 -1.721 . . . . 0.0 112.417 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.668 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.69 -19.33 63.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.723 -1.236 . . . . 0.0 108.551 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.42 -1.72 90.21 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.34 -39.28 13.55 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 122.309 1.052 . . . . 0.0 108.535 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.93 82.3 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.115 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.37 94.15 Favored Glycine 0 N--CA 1.49 2.269 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.089 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 t -71.14 -24.0 62.19 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.848 0.832 . . . . 0.0 112.519 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' THR . . . . . 0.411 ' C ' ' H ' ' A' ' 21' ' ' GLY . 41.3 m -89.01 -39.7 13.51 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.628 0.727 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.3 mtt -77.59 28.18 0.16 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.695 . . . . 0.0 109.851 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -51.52 -37.46 41.02 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.6 -69.3 0.39 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -1.143 . . . . 0.0 109.182 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.0 36.57 0.08 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.231 -0.918 . . . . 0.0 109.74 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.446 ' H ' ' C ' ' A' ' 22' ' ' ALA . 54.9 p -78.43 -57.43 3.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.218 -0.927 . . . . 0.0 109.558 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 36.7 mtt 50.39 71.77 0.39 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.439 -0.788 . . . . 0.0 109.975 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -57.4 121.34 9.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.261 -0.899 . . . . 0.0 109.586 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.9 mt -70.71 -58.18 3.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.161 -0.962 . . . . 0.0 109.201 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 29' ' ' VAL . 7.0 t -169.77 -149.23 0.07 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 109.433 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' N ' ' OG1' ' A' ' 28' ' ' THR . 28.1 m -66.69 141.12 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.199 -0.938 . . . . 0.0 109.548 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -67.29 -52.66 37.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.205 -0.934 . . . . 0.0 109.246 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.22 -0.925 . . . . 0.0 109.416 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.404 0.621 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 t 55.81 55.04 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-O 121.624 0.726 . . . . 0.0 110.01 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.66 42.49 0.05 OUTLIER Glycine 0 N--CA 1.494 2.55 0 C-N-CA 120.144 -1.027 . . . . 0.0 112.025 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.2 pt -67.62 -28.66 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 120.753 -1.44 . . . . 0.0 108.583 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.36 -29.48 16.65 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.88 71.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.906 -0.761 . . . . 0.0 110.962 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 mt -76.58 -45.93 28.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.458 -0.777 . . . . 0.0 110.502 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.691 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 15.7 t80 -64.12 -46.54 83.69 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 117.702 -1.599 . . . . 0.0 107.083 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -56.7 -43.85 80.94 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.404 -1.435 . . . . 0.0 110.256 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.25 64.36 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.039 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -88.68 -34.83 17.07 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.488 -1.595 . . . . 0.0 112.227 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.691 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.79 -18.62 65.46 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.802 -1.186 . . . . 0.0 108.963 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.85 -39.91 58.7 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.85 -31.59 64.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.343 -1.093 . . . . 0.0 109.962 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.02 69.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.389 -0.82 . . . . 0.0 111.363 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.38 -39.59 94.25 Favored Glycine 0 N--CA 1.491 2.311 0 C-N-CA 119.848 -1.167 . . . . 0.0 111.301 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.69 -23.88 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.016 0.912 . . . . 0.0 112.423 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -89.01 -39.63 13.55 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.495 0.664 . . . . 0.0 109.239 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.5 mmt -78.21 -10.26 59.57 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.167 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.18 -22.53 58.39 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.63 -13.5 61.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -1.138 . . . . 0.0 109.477 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.39 -12.46 61.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.255 -0.903 . . . . 0.0 109.632 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.0 m -161.09 16.93 0.11 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.349 -0.844 . . . . 0.0 109.125 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.2 ttm 51.14 67.33 0.96 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 109.918 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.2 p -71.27 127.64 33.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.197 -0.94 . . . . 0.0 109.502 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.5 mp -66.26 -59.66 3.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.87 . . . . 0.0 108.799 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 m -164.92 -70.54 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.328 -0.858 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.83 165.48 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.232 -0.918 . . . . 0.0 109.499 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -170.87 155.43 4.62 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.327 -0.858 . . . . 0.0 109.395 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.258 -0.901 . . . . 0.0 109.506 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 t 55.59 -87.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.564 -0.71 . . . . 0.0 109.145 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 170.77 -91.2 0.09 OUTLIER Glycine 0 N--CA 1.493 2.464 0 O-C-N 120.977 -1.077 . . . . 0.0 111.511 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 mm -67.05 -26.4 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.512 -0.993 . . . . 0.0 109.234 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.45 14.84 Favored Glycine 0 N--CA 1.501 3.007 0 N-CA-C 108.165 -1.974 . . . . 0.0 108.165 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.81 71.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 122.178 -0.601 . . . . 0.0 111.349 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' N ' HD12 ' A' ' 8' ' ' LEU . 10.2 mp -76.69 -46.14 26.78 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.232 -0.918 . . . . 0.0 110.278 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.21 -46.29 84.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 117.396 -1.722 . . . . 0.0 107.087 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.73 -44.05 77.16 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.251 -1.531 . . . . 0.0 110.126 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.51 -46.54 65.16 Favored Glycine 0 N--CA 1.489 2.212 0 O-C-N 121.23 -0.919 . . . . 0.0 111.543 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -89.02 -35.92 16.1 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.333 -1.686 . . . . 0.0 112.502 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.16 -14.83 61.54 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.688 -1.258 . . . . 0.0 108.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.93 -39.89 37.18 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -31.76 65.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -1.111 . . . . 0.0 110.085 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.19 72.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.347 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.08 93.93 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.865 -1.16 . . . . 0.0 111.332 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -70.97 -23.91 62.3 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.978 0.895 . . . . 0.0 112.568 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -88.66 -39.15 14.24 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.593 0.711 . . . . 0.0 109.411 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.5 mmt -77.26 -14.0 59.83 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.56 -0.712 . . . . 0.0 110.006 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.51 10.73 54.51 Favored Glycine 0 N--CA 1.497 2.718 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.66 -31.21 66.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.184 -1.186 . . . . 0.0 109.66 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.6 -84.35 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.122 -0.986 . . . . 0.0 109.402 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 t -159.86 12.67 0.13 Allowed 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.6 tpt 53.13 69.8 0.66 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.603 -0.685 . . . . 0.0 109.695 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -172.06 -2.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 0.0 109.477 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' VAL . 19.8 tp -59.84 -48.79 80.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.0 108.985 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -68.34 67.01 0.12 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.498 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' LEU . 30.5 m -61.52 -4.32 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -0.872 . . . . 0.0 109.523 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -66.33 136.87 56.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.302 -0.874 . . . . 0.0 109.429 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.174 -0.954 . . . . 0.0 109.492 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.0 t 60.02 123.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.963 0.887 . . . . 0.0 110.335 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.12 146.31 5.4 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.86 -15.82 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -48.88 -28.01 6.95 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 108.202 -1.959 . . . . 0.0 108.202 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.89 71.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.983 -0.716 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.05 -46.8 22.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.818 . . . . 0.0 110.196 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 19.7 t80 -63.77 -47.27 81.66 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 117.664 -1.615 . . . . 0.0 107.212 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.57 -43.23 84.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.361 -1.462 . . . . 0.0 110.622 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.65 -45.47 68.26 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.03 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -88.38 -35.08 17.34 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.316 -1.697 . . . . 0.0 112.363 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.15 -16.77 63.87 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.693 -1.254 . . . . 0.0 108.803 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.33 -40.64 48.35 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.31 64.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -1.116 . . . . 0.0 109.903 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -50.11 73.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.609 -0.682 . . . . 0.0 111.157 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.28 -39.31 94.33 Favored Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.172 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -71.17 -23.96 62.15 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.894 0.854 . . . . 0.0 112.585 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -89.07 -39.59 13.54 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -77.54 10.53 2.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.61 -0.682 . . . . 0.0 109.985 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.92 -25.55 69.04 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -70.58 -41.1 72.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.232 -1.158 . . . . 0.0 109.451 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.92 10.18 0.77 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 0.0 109.554 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 22' ' ' ALA . 28.9 t -159.84 42.68 0.21 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.336 -0.853 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.6 mtt 50.43 -97.15 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.31 -0.869 . . . . 0.0 110.105 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 m -165.16 65.29 0.12 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.127 -0.983 . . . . 0.0 109.248 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.1 -164.59 0.32 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.157 -0.964 . . . . 0.0 109.307 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -172.34 144.47 1.55 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.307 -0.871 . . . . 0.0 109.503 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.77 -169.8 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.239 -0.913 . . . . 0.0 109.467 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.8 tt0 -168.73 -58.46 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.937 . . . . 0.0 109.495 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 t 58.01 112.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 CA-C-O 121.817 0.818 . . . . 0.0 110.283 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.19 -46.61 0.15 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.0 mm -66.76 -32.57 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.724 -1.456 . . . . 0.0 109.769 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.17 -34.27 52.96 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 108.176 -1.97 . . . . 0.0 108.176 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.4 71.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.783 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.479 ' N ' HD12 ' A' ' 8' ' ' LEU . 8.3 mp -77.09 -47.81 19.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 0.0 109.938 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' A' ' 13' ' ' LEU . 12.5 t80 -64.2 -46.61 83.16 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.576 -1.65 . . . . 0.0 106.817 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.75 -43.52 80.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.34 -1.475 . . . . 0.0 109.909 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.39 -45.07 66.27 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.14 -1.028 . . . . 0.0 110.713 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -88.97 -35.04 16.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.485 -1.597 . . . . 0.0 112.058 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.653 HD23 ' CE2' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.15 -19.14 65.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.69 -1.256 . . . . 0.0 108.82 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.47 -40.45 54.4 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.56 63.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.413 -1.051 . . . . 0.0 109.609 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -50.12 73.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 111.214 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.6 92.25 Favored Glycine 0 N--CA 1.49 2.244 0 C-N-CA 119.827 -1.177 . . . . 0.0 111.534 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -24.58 62.65 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.923 0.868 . . . . 0.0 112.533 -177.124 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 p -88.86 -38.75 14.34 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -77.98 -33.33 51.42 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.12 5.66 18.17 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.03 -38.37 72.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.156 -1.202 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.42 18.39 0.12 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.326 -0.859 . . . . 0.0 109.816 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 22' ' ' ALA . 67.9 m -159.13 53.02 0.39 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.236 -0.915 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.9 ttt 56.44 -123.1 1.78 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.323 -0.86 . . . . 0.0 109.343 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -173.84 64.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.931 -1.105 . . . . 0.0 109.535 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.64 152.12 46.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.186 -0.946 . . . . 0.0 109.298 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.1 p -59.36 165.98 2.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -0.872 . . . . 0.0 109.436 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.79 128.23 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 0.0 109.406 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 27.3 mp0 -65.04 -81.51 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.255 -0.903 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.181 -0.949 . . . . 0.0 109.488 179.919 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.58 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 t 63.2 -23.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.718 -0.614 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 173.09 173.68 39.65 Favored Glycine 0 N--CA 1.486 1.977 0 O-C-N 120.959 -1.088 . . . . 0.0 111.087 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.36 -13.85 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.65 -25.36 2.15 Favored Glycine 0 N--CA 1.504 3.182 0 N-CA-C 108.825 -1.71 . . . . 0.0 108.825 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.25 72.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 122.048 -0.677 . . . . 0.0 111.258 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.96 -45.42 27.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.264 -0.898 . . . . 0.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 20.2 t80 -63.35 -46.48 86.39 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 117.563 -1.655 . . . . 0.0 107.034 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.46 -43.53 84.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.512 -1.367 . . . . 0.0 110.318 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.56 -46.04 66.43 Favored Glycine 0 N--CA 1.491 2.321 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.289 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -88.04 -35.21 17.68 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.299 -1.706 . . . . 0.0 112.48 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.08 -16.26 63.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.753 -1.217 . . . . 0.0 108.849 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.13 41.1 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.922 -1.111 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.66 64.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -1.131 . . . . 0.0 109.91 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.03 78.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.392 -0.818 . . . . 0.0 111.004 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.89 -38.99 93.3 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.41 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -71.19 -24.3 62.2 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.844 0.83 . . . . 0.0 112.909 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 p -89.03 -39.22 13.83 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.637 0.732 . . . . 0.0 109.172 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.2 mmm -77.15 15.28 0.74 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.754 . . . . 0.0 109.957 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.05 -4.53 55.91 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.57 -28.52 63.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.15 -1.206 . . . . 0.0 109.53 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.65 5.33 1.92 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.249 -0.907 . . . . 0.0 109.388 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' ALA . 31.0 t -79.62 47.08 0.81 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.391 -0.818 . . . . 0.0 109.405 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 30.6 mtt 52.14 -179.19 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.382 -0.824 . . . . 0.0 109.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.0 p -67.97 -90.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -66.63 114.9 5.92 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.268 -0.895 . . . . 0.0 109.137 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.6 p -67.98 137.05 54.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.152 -0.967 . . . . 0.0 109.474 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.7 m -66.79 158.9 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.519 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -64.1 144.38 57.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.239 -0.913 . . . . 0.0 109.447 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.309 -0.87 . . . . 0.0 109.46 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 t 60.58 -5.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.65 -0.656 . . . . 0.0 110.097 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 170.43 140.48 3.01 Favored Glycine 0 N--CA 1.488 2.124 0 O-C-N 121.028 -1.045 . . . . 0.0 110.938 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.7 pt -68.07 -14.22 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.28 -26.35 3.3 Favored Glycine 0 N--CA 1.502 3.095 0 N-CA-C 108.544 -1.823 . . . . 0.0 108.544 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.15 71.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 122.024 -0.692 . . . . 0.0 110.752 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.8 mt -76.78 -46.58 24.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.442 -0.786 . . . . 0.0 110.591 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.47 -45.68 86.35 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.473 -1.691 . . . . 0.0 107.214 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 tp -54.55 -44.15 72.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.269 -1.519 . . . . 0.0 110.221 -178.581 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.97 -46.3 55.66 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 121.051 -1.031 . . . . 0.0 111.064 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -89.8 -35.08 15.9 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.562 -1.552 . . . . 0.0 112.055 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -64.75 -22.05 66.9 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.736 -1.227 . . . . 0.0 108.54 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.93 52.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -32.17 65.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -1.084 . . . . 0.0 110.116 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.41 77.02 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.349 -0.844 . . . . 0.0 111.142 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.87 -39.12 93.36 Favored Glycine 0 N--CA 1.489 2.21 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.5 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -71.11 -24.19 62.24 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.8 0.809 . . . . 0.0 112.824 -177.173 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -89.01 -38.9 14.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.3 ttt -77.03 -13.81 59.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.445 -0.784 . . . . 0.0 110.0 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.41 -21.85 77.56 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.26 -52.03 18.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.175 -1.191 . . . . 0.0 109.644 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.98 -0.99 10.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.322 -0.861 . . . . 0.0 109.709 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 m -79.96 38.59 0.4 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.351 -0.843 . . . . 0.0 109.446 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 72.2 mtp 50.58 -176.41 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.393 -0.817 . . . . 0.0 110.137 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.4 p -68.33 -167.21 0.08 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.882 . . . . 0.0 109.465 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.02 94.97 0.52 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.24 -0.913 . . . . 0.0 109.388 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.1 m -60.67 -68.09 0.34 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.248 -0.907 . . . . 0.0 109.415 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t 52.69 82.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.373 -0.829 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -168.95 76.03 0.1 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.347 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.256 -0.903 . . . . 0.0 109.426 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t 52.55 -91.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.323 -0.86 . . . . 0.0 108.998 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 171.78 20.19 0.02 OUTLIER Glycine 0 N--CA 1.492 2.381 0 O-C-N 121.131 -0.981 . . . . 0.0 112.357 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.41 -35.02 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.213 -1.757 . . . . 0.0 109.642 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.04 -34.75 58.46 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 108.236 -1.945 . . . . 0.0 108.236 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -30.14 71.34 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.721 -0.87 . . . . 0.0 110.713 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.41 -47.58 22.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.434 -0.791 . . . . 0.0 110.083 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -65.63 -46.26 79.92 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 117.354 -1.738 . . . . 0.0 106.9 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.28 -44.08 75.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 119.97 -1.706 . . . . 0.0 109.754 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.37 -45.28 65.76 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 120.334 -0.936 . . . . 0.0 110.877 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -89.64 -35.82 15.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.449 -1.618 . . . . 0.0 112.065 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.0 -17.33 64.61 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.739 -1.226 . . . . 0.0 108.801 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.61 -40.3 38.7 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -31.16 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.335 -1.097 . . . . 0.0 109.644 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -50.13 73.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.489 -0.757 . . . . 0.0 111.174 -178.187 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.22 -39.69 92.32 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.835 -1.165 . . . . 0.0 111.564 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -70.66 -24.45 62.7 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.935 0.874 . . . . 0.0 112.471 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 p -89.07 -38.94 13.99 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 ttp -78.46 -33.8 48.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.538 -0.726 . . . . 0.0 110.178 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.31 -25.18 75.04 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.41 -52.78 16.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.24 -1.153 . . . . 0.0 109.61 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.37 -29.59 65.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.136 -0.977 . . . . 0.0 109.823 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.1 m -80.33 50.23 1.24 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.252 -0.905 . . . . 0.0 109.604 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.3 mtt 52.16 -147.76 0.43 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.233 -0.917 . . . . 0.0 110.01 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.6 p -58.28 159.21 6.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -0.88 . . . . 0.0 109.609 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.1 mp -69.46 126.81 30.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 108.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -68.58 79.26 0.28 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.238 -0.914 . . . . 0.0 109.404 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.6 m -65.05 -5.2 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.207 -0.933 . . . . 0.0 109.663 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -65.64 148.02 52.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.194 -0.941 . . . . 0.0 109.415 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.9 . . . . 0.0 109.414 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t 63.54 -62.62 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.962 -0.461 . . . . 0.0 110.22 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -92.22 80.74 1.18 Allowed Glycine 0 N--CA 1.497 2.719 0 O-C-N 120.94 -1.1 . . . . 0.0 111.589 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.6 tt -67.52 -26.52 35.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.066 -1.255 . . . . 0.0 107.985 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.89 -30.0 21.11 Favored Glycine 0 N--CA 1.5 2.939 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.26 70.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.774 -0.839 . . . . 0.0 110.471 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.2 tt -77.0 -46.84 22.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.56 -0.712 . . . . 0.0 109.753 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.686 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 18.0 t80 -63.98 -48.34 76.83 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 117.757 -1.577 . . . . 0.0 107.288 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.29 -43.04 82.83 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.209 -1.557 . . . . 0.0 109.908 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.09 -45.4 62.89 Favored Glycine 0 N--CA 1.493 2.442 0 C-N-CA 120.132 -1.032 . . . . 0.0 110.806 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -88.57 -34.79 17.23 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.494 -1.592 . . . . 0.0 112.238 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.686 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.9 -18.09 65.1 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.748 -1.22 . . . . 0.0 109.024 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.29 56.0 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.51 64.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -1.09 . . . . 0.0 109.862 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.88 -50.25 72.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 111.389 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.38 93.38 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.845 -1.169 . . . . 0.0 111.56 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 m -70.67 -24.2 62.64 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.929 0.871 . . . . 0.0 112.648 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.91 -38.97 14.12 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.521 0.676 . . . . 0.0 109.218 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.9 mtt -77.74 -31.26 52.07 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.53 -0.731 . . . . 0.0 110.243 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.04 -9.95 64.26 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.36 -26.27 62.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.135 -1.214 . . . . 0.0 109.462 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.6 -49.69 37.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.285 -0.884 . . . . 0.0 109.725 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.4 m -159.47 35.07 0.19 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.409 -0.807 . . . . 0.0 108.955 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.2 mtt 53.19 -150.5 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.515 -0.741 . . . . 0.0 109.923 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p -63.87 119.86 10.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.173 -0.954 . . . . 0.0 109.548 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -68.5 -167.68 0.1 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.958 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -172.32 -1.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.285 -0.884 . . . . 0.0 109.441 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.2 t -58.98 147.11 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.13 -0.981 . . . . 0.0 109.471 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -59.99 -166.42 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 0.0 109.414 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.344 -0.847 . . . . 0.0 109.429 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 5' ' ' ILE . 5.0 t 60.51 148.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-O 121.558 0.694 . . . . 0.0 109.236 -179.694 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.53 -10.14 74.07 Favored Glycine 0 N--CA 1.497 2.762 0 O-C-N 120.924 -1.11 . . . . 0.0 112.23 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 6' ' ' GLY . 18.0 tt -67.26 -40.23 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.174 -1.78 . . . . 0.0 111.284 -178.311 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 5' ' ' ILE . . . -58.55 -38.97 92.52 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 177.923 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.52 71.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.696 -0.885 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.6 tp -76.42 -46.26 27.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.601 -0.687 . . . . 0.0 109.897 -179.359 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.69 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 17.8 t80 -64.42 -47.36 79.42 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.695 -1.602 . . . . 0.0 106.953 177.644 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.3 mt -57.5 -43.26 84.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.331 -1.481 . . . . 0.0 110.247 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -44.75 71.8 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 120.137 -1.03 . . . . 0.0 110.756 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -88.51 -34.94 17.24 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.45 -1.618 . . . . 0.0 112.165 -179.016 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.06 -17.12 64.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.746 -1.221 . . . . 0.0 109.044 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.08 -40.85 49.82 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.96 -31.44 62.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.327 -1.102 . . . . 0.0 109.693 -179.26 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.82 74.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.436 -0.79 . . . . 0.0 111.25 -178.054 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.38 -39.41 91.64 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.806 -1.188 . . . . 0.0 111.569 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -70.87 -24.61 62.53 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.974 0.892 . . . . 0.0 112.666 -176.991 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -88.91 -38.65 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.4 mtt -78.53 -7.91 58.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.51 -0.744 . . . . 0.0 110.214 -179.148 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.5 -59.29 5.8 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.37 58.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.217 -1.167 . . . . 0.0 109.532 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.22 -2.28 15.49 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.313 -0.867 . . . . 0.0 109.397 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' THR . 55.7 p -80.35 49.47 1.14 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.387 -0.821 . . . . 0.0 109.405 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.7 mtt 50.48 -91.76 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.253 -0.904 . . . . 0.0 110.101 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.5 t -172.26 -2.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.209 -0.932 . . . . 0.0 109.384 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' H ' ' H ' ' A' ' 26' ' ' THR . 1.4 tt -167.03 -63.1 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.316 -0.865 . . . . 0.0 108.723 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.4 p -64.64 109.99 2.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.0 109.446 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.42 -6.95 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.28 -0.888 . . . . 0.0 109.52 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -66.07 155.47 36.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.309 -0.87 . . . . 0.0 109.464 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.4 179.974 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t 64.7 -49.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-O 120.94 0.4 . . . . 0.0 110.572 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -89.95 18.01 49.99 Favored Glycine 0 N--CA 1.499 2.866 0 O-C-N 120.91 -1.119 . . . . 0.0 112.134 -179.823 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.97 -34.99 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.201 -1.764 . . . . 0.0 109.74 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.03 -34.95 62.71 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 178.364 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.57 -30.72 71.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.658 -0.907 . . . . 0.0 110.966 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.48 -45.58 30.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.529 -0.732 . . . . 0.0 110.417 -179.192 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.681 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 16.6 t80 -64.11 -46.86 82.3 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.036 177.742 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.21 -43.35 82.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.474 -1.392 . . . . 0.0 110.554 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.47 -45.33 66.7 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.809 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -88.7 -34.64 17.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.443 -1.622 . . . . 0.0 112.166 -179.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.681 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.01 -18.11 65.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.734 -1.228 . . . . 0.0 108.97 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.35 -40.5 54.92 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.06 62.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -1.095 . . . . 0.0 109.708 -179.292 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -50.68 70.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 111.435 -178.14 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.79 93.64 Favored Glycine 0 N--CA 1.491 2.3 0 C-N-CA 119.875 -1.155 . . . . 0.0 111.42 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 t -70.74 -24.14 62.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.984 0.897 . . . . 0.0 112.453 -177.28 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.3 m -88.95 -39.47 13.72 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.56 0.695 . . . . 0.0 109.192 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' MET . . . . . 0.421 ' C ' ' H ' ' A' ' 22' ' ' ALA . 19.0 mmt -78.97 -31.41 44.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.493 -0.754 . . . . 0.0 110.288 -179.044 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.9 0.69 3.11 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.576 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.27 -51.6 23.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.2 -1.177 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.58 22.26 0.08 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.283 -0.885 . . . . 0.0 110.07 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 22' ' ' ALA . 46.0 t -159.86 37.94 0.19 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.018 -1.052 . . . . 0.0 109.736 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.2 mtt 52.11 178.56 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.35 -0.844 . . . . 0.0 110.178 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.2 p -74.39 -48.58 26.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.21 -0.931 . . . . 0.0 109.427 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.08 104.1 1.08 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.884 . . . . 0.0 109.354 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -67.59 163.23 21.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.39 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.28 142.04 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 0.0 109.581 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -67.3 -69.03 0.34 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.908 . . . . 0.0 109.397 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.158 -0.964 . . . . 0.0 109.357 179.987 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 t 64.23 -41.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-O 120.839 0.352 . . . . 0.0 110.985 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -90.61 -122.05 2.46 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 120.825 -1.172 . . . . 0.0 112.878 -179.431 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.415 ' C ' ' N ' ' A' ' 7' ' ' ALA . 32.7 pt -70.49 13.36 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.987 -0.714 . . . . 0.0 110.826 -179.058 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 4' ' ' GLY . . . -46.22 -24.87 1.66 Allowed Glycine 0 N--CA 1.504 3.218 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 179.689 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 5' ' ' ILE . . . -63.39 -31.75 73.0 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 122.177 -0.602 . . . . 0.0 111.339 -179.698 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.93 -45.39 27.96 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.243 -0.911 . . . . 0.0 110.572 -179.088 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.653 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 21.3 t80 -63.09 -45.6 91.34 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.952 177.9 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.1 -43.85 87.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.506 -1.371 . . . . 0.0 110.51 -178.643 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.03 -46.29 69.96 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.384 -178.754 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.58 -35.42 18.11 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.307 -1.702 . . . . 0.0 112.575 -178.412 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.653 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -64.86 -14.43 59.44 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.751 -1.218 . . . . 0.0 108.932 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.09 -42.41 24.41 Favored Glycine 0 N--CA 1.494 2.52 0 O-C-N 120.84 -1.163 . . . . 0.0 110.507 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -32.74 62.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.144 -1.209 . . . . 0.0 109.695 -179.262 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.17 82.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.69 -0.631 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.67 93.09 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.864 -1.16 . . . . 0.0 111.147 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 p -71.17 -24.41 62.24 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.743 0.783 . . . . 0.0 112.71 -177.181 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.5 m -88.8 -39.13 14.11 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.572 0.701 . . . . 0.0 109.229 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.2 tpt -77.11 -25.4 52.15 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.417 0.627 . . . . 0.0 109.622 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.31 -23.05 52.78 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.94 -15.58 62.08 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.306 -1.114 . . . . 0.0 109.62 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.55 0.49 6.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.097 -1.002 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.6 t -160.55 35.7 0.16 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.425 -0.797 . . . . 0.0 109.027 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' LEU . 39.0 ttm 58.34 158.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.443 0.64 . . . . 0.0 109.703 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 m -59.0 88.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.042 -1.036 . . . . 0.0 109.46 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 25' ' ' MET . 18.0 tp -62.33 95.75 0.07 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.305 -0.872 . . . . 0.0 109.01 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 30' ' ' GLN . 67.3 p -66.27 103.87 1.09 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.208 -0.933 . . . . 0.0 109.534 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.3 m -61.44 -4.21 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.216 -0.928 . . . . 0.0 109.45 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 28' ' ' THR . 68.5 mt-30 -64.56 117.16 6.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.0 109.555 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.323 -0.861 . . . . 0.0 109.895 -179.995 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t 61.02 -71.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.972 -0.455 . . . . 0.0 110.073 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -91.14 134.09 12.12 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 120.866 -1.146 . . . . 0.0 111.103 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 pt -68.86 -6.63 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.219 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.49 -25.53 2.11 Favored Glycine 0 N--CA 1.502 3.052 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.75 71.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 122.147 -0.619 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.18 -46.86 21.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -0.768 . . . . 0.0 110.308 -179.515 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.677 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 25.1 t80 -63.54 -46.48 85.78 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 117.673 -1.611 . . . . 0.0 107.025 177.876 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.66 -43.51 85.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.464 -1.398 . . . . 0.0 110.282 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.46 70.92 Favored Glycine 0 N--CA 1.491 2.305 0 O-C-N 121.149 -0.969 . . . . 0.0 111.068 -178.717 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -87.67 -34.55 18.4 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.361 -1.67 . . . . 0.0 112.54 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.677 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.9 -18.68 63.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.703 -1.248 . . . . 0.0 108.502 179.873 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.74 -1.5 90.22 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.22 -39.13 13.74 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 122.402 1.096 . . . . 0.0 108.386 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.16 81.28 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.171 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.51 -39.55 94.03 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.779 -1.201 . . . . 0.0 111.112 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -71.08 -24.05 62.24 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.915 0.864 . . . . 0.0 112.5 -177.236 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -88.98 -39.57 13.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.721 0.772 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.5 mtt -77.88 23.78 0.24 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.1 -60.72 8.03 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.818 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.42 -53.65 13.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.21 -1.171 . . . . 0.0 109.462 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 36.75 0.08 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.256 -0.902 . . . . 0.0 109.942 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 22' ' ' ALA . 56.3 p -78.57 -11.23 59.95 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.115 -0.991 . . . . 0.0 109.431 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.5 mtt 48.77 -92.79 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.521 -0.737 . . . . 0.0 110.181 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' SER . 60.8 m -165.33 154.45 12.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.317 -0.865 . . . . 0.0 109.209 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.17 95.03 0.72 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.29 -0.882 . . . . 0.0 109.209 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 28' ' ' THR . . . . . 0.427 ' H ' ' H ' ' A' ' 29' ' ' VAL . 1.3 t -173.47 -2.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.308 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.427 ' H ' ' H ' ' A' ' 28' ' ' THR . 30.7 t -63.53 -43.61 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.525 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -61.07 150.54 33.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.163 -0.961 . . . . 0.0 109.418 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.878 . . . . 0.0 109.442 179.96 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.473 0.654 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 t 53.69 89.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 CA-C-O 121.657 0.741 . . . . 0.0 110.365 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.87 -70.7 0.1 OUTLIER Glycine 0 N--CA 1.493 2.449 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.86 -31.4 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.917 -1.343 . . . . 0.0 109.748 -179.2 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.74 -33.2 41.82 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 108.051 -2.02 . . . . 0.0 108.051 178.374 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.78 70.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 122.034 -0.686 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -76.91 -48.03 19.39 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.268 -179.027 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.677 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 13.2 t80 -63.95 -46.53 84.26 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 117.573 -1.651 . . . . 0.0 106.783 177.794 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.71 -43.79 80.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.454 -1.403 . . . . 0.0 110.092 -178.914 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.67 64.63 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.178 -0.952 . . . . 0.0 110.962 -179.039 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -88.83 -35.23 16.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.318 -1.696 . . . . 0.0 112.267 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.677 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.84 -18.2 65.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.621 -1.3 . . . . 0.0 108.867 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.49 -40.46 54.27 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -31.6 63.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.425 -1.044 . . . . 0.0 109.595 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.62 70.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.522 -0.736 . . . . 0.0 111.203 -178.058 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.8 93.74 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.825 -1.178 . . . . 0.0 111.283 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.7 t -70.73 -24.24 62.6 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.887 0.851 . . . . 0.0 112.413 -177.356 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -88.96 -39.44 13.73 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.621 0.724 . . . . 0.0 109.163 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.9 mmt -78.22 -14.19 59.55 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.543 -0.723 . . . . 0.0 110.146 -179.261 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.9 -36.45 81.75 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.25 -14.75 62.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.225 -1.162 . . . . 0.0 109.387 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.42 -26.59 62.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.0 109.408 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.8 p -80.45 20.8 0.67 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.44 -0.787 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.5 ttt 54.53 -133.08 1.76 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.298 -0.877 . . . . 0.0 109.402 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.1 p -77.15 169.14 18.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.043 -1.036 . . . . 0.0 109.337 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 tp -67.53 112.08 4.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 108.934 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 m -164.93 153.8 12.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.322 -0.861 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.9 -164.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.51 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.1 tt0 53.16 73.09 0.38 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.925 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.225 -0.922 . . . . 0.0 109.357 179.989 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.568 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 t 62.37 -13.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.706 -0.621 . . . . 0.0 110.581 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 171.04 152.67 8.36 Favored Glycine 0 N--CA 1.486 1.988 0 O-C-N 120.964 -1.085 . . . . 0.0 110.781 179.106 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.53 -5.72 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.525 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.64 -25.99 2.43 Favored Glycine 0 N--CA 1.503 3.129 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.4 71.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.951 -0.735 . . . . 0.0 110.649 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -76.91 -46.09 25.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.251 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.665 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 26.6 t80 -63.59 -47.18 82.54 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 117.557 -1.657 . . . . 0.0 107.138 177.837 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.82 -43.52 85.83 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.419 -1.426 . . . . 0.0 110.839 -178.728 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.41 71.01 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.216 -0.993 . . . . 0.0 111.074 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -87.59 -34.74 18.42 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.296 -1.708 . . . . 0.0 112.528 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.665 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.76 -18.13 62.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.754 -1.217 . . . . 0.0 108.587 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.37 -1.85 90.25 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.18 13.56 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 122.353 1.073 . . . . 0.0 108.452 178.095 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.78 82.98 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.222 -178.004 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.31 93.81 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.826 -1.178 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.16 -23.95 62.15 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.961 0.886 . . . . 0.0 112.569 -177.232 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.3 m -88.85 -39.5 13.8 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.716 0.769 . . . . 0.0 109.382 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.4 mmt -77.29 14.17 1.0 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.519 -0.738 . . . . 0.0 109.999 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.29 -9.9 73.45 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.7 -39.92 69.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.269 -1.136 . . . . 0.0 109.417 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.03 5.71 1.93 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.205 -0.934 . . . . 0.0 109.531 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.1 t -80.01 32.76 0.27 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.357 -0.84 . . . . 0.0 109.494 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.5 mtt 50.54 70.76 0.48 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.326 -0.858 . . . . 0.0 110.177 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -67.35 -144.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 109.308 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt 55.87 46.72 21.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.223 -0.923 . . . . 0.0 109.567 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.2 p -68.02 161.75 25.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.0 109.419 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.9 m -61.28 141.48 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.219 -0.925 . . . . 0.0 109.504 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -67.63 -39.41 84.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.979 . . . . 0.0 109.485 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 0.0 109.415 179.966 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.372 0.606 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 t 61.96 -18.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.955 -0.466 . . . . 0.0 111.306 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -88.85 -173.73 46.74 Favored Glycine 0 N--CA 1.493 2.448 0 O-C-N 120.635 -1.291 . . . . 0.0 111.574 179.698 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' C ' ' N ' ' A' ' 7' ' ' ALA . 27.4 pt -70.96 12.4 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 122.232 -0.569 . . . . 0.0 109.981 179.667 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 6' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 4' ' ' GLY . . . -45.39 -24.37 1.0 Allowed Glycine 0 N--CA 1.504 3.19 0 N-CA-C 108.884 -1.687 . . . . 0.0 108.884 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 5' ' ' ILE . . . -62.78 -31.35 72.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 122.081 -0.658 . . . . 0.0 110.902 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.73 -45.83 27.78 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.36 -0.837 . . . . 0.0 110.71 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.88 -46.73 83.61 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 117.374 -1.731 . . . . 0.0 107.132 177.623 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.8 mt -55.88 -43.63 77.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.282 -1.511 . . . . 0.0 110.408 -178.673 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.96 -46.38 61.02 Favored Glycine 0 N--CA 1.49 2.271 0 O-C-N 121.144 -0.973 . . . . 0.0 110.977 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -89.0 -35.65 16.27 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.447 -1.619 . . . . 0.0 112.299 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -64.78 -18.3 64.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.778 -1.201 . . . . 0.0 108.643 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.99 -41.17 33.3 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.36 63.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -1.21 . . . . 0.0 109.755 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.656 -0.653 . . . . 0.0 110.889 -178.175 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.21 -39.53 92.33 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.35 -179.262 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.3 m -71.01 -24.73 62.43 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.731 0.777 . . . . 0.0 112.798 -177.066 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -88.7 -38.95 14.35 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 ttt -77.25 -33.24 56.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.549 -0.719 . . . . 0.0 109.823 -179.348 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.16 6.25 64.06 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.51 -16.46 62.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -1.161 . . . . 0.0 109.584 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.54 -15.2 62.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.184 -0.947 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.5 p -80.93 61.76 4.66 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.343 -0.848 . . . . 0.0 109.353 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.9 mtt 51.37 -174.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.287 -0.883 . . . . 0.0 109.997 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.9 p -68.06 -50.7 53.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.47 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.7 tp -170.08 128.64 0.89 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.194 -0.941 . . . . 0.0 108.95 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 t -169.43 23.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 109.461 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 t -68.82 114.29 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.875 . . . . 0.0 109.484 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.603 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 3.0 pm0 -56.59 -168.89 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.304 -0.873 . . . . 0.0 109.779 -179.87 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.142 -0.974 . . . . 0.0 109.406 179.99 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 t 57.09 109.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-O 121.749 0.785 . . . . 0.0 110.365 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.16 46.15 0.05 OUTLIER Glycine 0 N--CA 1.493 2.435 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.325 178.626 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.6 pt -67.39 -27.71 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.012 -1.287 . . . . 0.0 108.717 179.145 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.83 -29.89 20.47 Favored Glycine 0 N--CA 1.501 3.015 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 178.815 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.02 71.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 122.038 -0.683 . . . . 0.0 110.969 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 mt -76.87 -46.23 25.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 0.0 110.298 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.673 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 13.3 t80 -63.9 -46.43 84.87 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 117.612 -1.635 . . . . 0.0 106.985 177.801 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.21 -43.82 78.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.463 -1.398 . . . . 0.0 110.291 -178.78 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.83 -45.66 60.88 Favored Glycine 0 N--CA 1.491 2.354 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.006 -178.901 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -88.95 -34.82 16.76 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.447 -1.62 . . . . 0.0 112.175 -179.161 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.673 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.68 -19.44 65.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.667 -1.271 . . . . 0.0 108.859 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.05 -39.79 57.94 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.75 65.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.47 -1.018 . . . . 0.0 109.931 -179.295 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -50.87 70.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -0.759 . . . . 0.0 111.348 -178.006 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.53 94.15 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.772 -1.204 . . . . 0.0 111.152 -178.977 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -70.79 -23.95 62.48 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.983 0.897 . . . . 0.0 112.462 -177.334 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -89.07 -39.64 13.5 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.5 mtt -78.13 -13.4 59.88 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.652 -0.655 . . . . 0.0 110.068 -179.079 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.07 -16.81 58.1 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -59.97 2.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.321 -1.105 . . . . 0.0 109.681 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.22 -3.15 18.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.256 -0.902 . . . . 0.0 109.796 -179.721 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -80.1 34.34 0.3 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.274 -0.891 . . . . 0.0 109.511 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.6 mtt 51.92 -136.57 1.31 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.193 -0.942 . . . . 0.0 109.849 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -169.66 13.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.079 -1.013 . . . . 0.0 109.408 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.02 -12.19 61.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.907 . . . . 0.0 109.357 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.9 p -63.26 119.87 10.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.154 -0.966 . . . . 0.0 109.507 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.6 t -67.88 89.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -62.31 -31.58 72.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.546 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.246 -0.909 . . . . 0.0 109.432 179.988 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 t 56.36 106.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 CA-C-O 121.793 0.806 . . . . 0.0 110.169 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.35 -8.38 0.03 OUTLIER Glycine 0 N--CA 1.492 2.37 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.062 178.929 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 25.0 pt -66.72 -32.48 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.427 -1.631 . . . . 0.0 109.827 -179.542 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.53 -34.72 60.4 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 178.268 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.24 70.93 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.539 -0.977 . . . . 0.0 110.645 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.9 tp -76.61 -46.36 26.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.567 -0.708 . . . . 0.0 110.157 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' PHE . . . . . 0.679 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 17.6 t80 -64.52 -48.06 76.54 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 117.693 -1.603 . . . . 0.0 107.128 177.748 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.65 -43.21 84.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.315 -1.491 . . . . 0.0 109.758 -178.83 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.4 -45.58 65.63 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.811 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -88.41 -35.08 17.29 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.371 -1.664 . . . . 0.0 112.278 -178.988 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.679 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.94 -16.8 64.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.743 -1.223 . . . . 0.0 109.015 -179.909 . . . . . . . . 3 3 . 1 . 029 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.51 -40.46 54.17 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.72 63.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -1.093 . . . . 0.0 109.776 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -50.49 71.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.56 -0.713 . . . . 0.0 111.399 -178.06 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.4 93.6 Favored Glycine 0 N--CA 1.49 2.239 0 C-N-CA 119.844 -1.169 . . . . 0.0 111.355 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -70.89 -24.06 62.41 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.997 0.903 . . . . 0.0 112.446 -177.346 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -88.77 -39.44 13.92 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.598 0.713 . . . . 0.0 109.233 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.8 mtt -78.23 17.83 0.59 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.497 -0.752 . . . . 0.0 110.128 -179.16 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.88 -32.51 48.58 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -72.11 -61.12 1.9 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.229 -1.16 . . . . 0.0 109.559 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.86 19.08 0.09 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.346 -0.846 . . . . 0.0 110.106 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 22' ' ' ALA . 95.3 p -79.04 31.01 0.21 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.092 -1.005 . . . . 0.0 109.573 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.9 tpt 53.0 97.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.332 -0.855 . . . . 0.0 109.762 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.3 m -66.08 -73.92 0.12 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.214 -0.928 . . . . 0.0 109.477 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.19 -168.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.153 -0.967 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 t -172.77 144.88 1.41 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.239 -0.913 . . . . 0.0 109.426 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -67.15 -165.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.183 -0.948 . . . . 0.0 109.433 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -63.91 127.4 31.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.373 -0.829 . . . . 0.0 109.24 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.274 -0.891 . . . . 0.0 109.586 -179.988 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t 60.34 144.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 CA-C-O 121.875 0.845 . . . . 0.0 110.418 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.33 171.81 38.94 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 178.827 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.86 -12.52 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.21 -25.72 2.88 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.93 73.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 122.101 -0.647 . . . . 0.0 111.323 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.442 ' N ' HD12 ' A' ' 8' ' ' LEU . 10.5 mp -77.07 -45.29 27.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.309 -0.869 . . . . 0.0 110.011 -179.27 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.23 -46.14 85.14 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 117.416 -1.714 . . . . 0.0 107.176 177.606 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.91 -43.82 77.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.336 -1.478 . . . . 0.0 109.947 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.05 -45.54 62.35 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.946 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -88.79 -35.04 16.87 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.466 -1.608 . . . . 0.0 112.133 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -62.12 -22.21 65.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.832 -1.167 . . . . 0.0 108.108 179.681 . . . . . . . . 3 3 . 1 . 030 nuclear build full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.32 -1.52 90.09 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.39 -39.23 13.55 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 122.338 1.066 . . . . 0.0 108.47 178.198 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.131 -178.015 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.63 -39.09 93.72 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.372 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -71.11 -24.43 62.29 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.85 0.833 . . . . 0.0 112.906 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -88.97 -39.05 14.0 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.64 0.733 . . . . 0.0 109.233 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtt -76.98 0.92 19.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 109.987 -179.184 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.5 1.85 80.44 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 179.749 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.77 -58.07 3.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.271 -1.135 . . . . 0.0 109.599 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.67 -3.25 17.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 0.0 109.456 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -80.3 45.57 0.76 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.83 . . . . 0.0 109.417 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.523 ' SD ' ' N ' ' A' ' 25' ' ' MET . 1.1 mpt? 50.73 -164.59 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.362 -0.836 . . . . 0.0 109.782 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.2 p -58.26 -171.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 109.463 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.5 mp -59.54 -177.6 0.05 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 108.876 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear build full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.8 p -65.89 154.5 39.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 109.527 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.0 m -66.25 148.55 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.124 -0.985 . . . . 0.0 109.493 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.86 157.27 15.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 109.417 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.221 -0.924 . . . . 0.0 109.511 179.967 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.092 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.83 71.89 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.992 -0.711 . . . . 0.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.11 -44.36 38.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 110.901 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -64.01 -46.42 84.57 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 117.443 -1.703 . . . . 0.0 107.058 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.1 tt -55.95 -45.12 78.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.318 -1.489 . . . . 0.0 110.254 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.21 -47.11 62.03 Favored Glycine 0 N--CA 1.491 2.33 0 O-C-N 121.143 -0.973 . . . . 0.0 111.78 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -88.0 -35.65 17.47 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.178 -1.778 . . . . 0.0 112.844 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.63 -14.97 49.32 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.698 -1.251 . . . . 0.0 108.64 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.53 -1.47 89.21 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.32 -38.85 13.86 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 122.304 1.05 . . . . 0.0 108.571 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.42 84.64 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.322 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.54 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.699 -1.238 . . . . 0.0 111.279 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -71.11 -23.99 62.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.927 0.87 . . . . 0.0 112.672 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.5 m -88.68 -39.07 14.28 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.55 0.69 . . . . 0.0 109.35 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.492 1.662 0 O-C-N 121.544 -0.723 . . . . 0.0 109.933 -179.153 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.083 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.48 72.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.778 -0.837 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.87 -42.56 48.96 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.122 -0.986 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -61.95 -48.18 81.55 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 117.592 -1.643 . . . . 0.0 106.837 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 mt -58.88 -43.36 90.92 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.437 -1.414 . . . . 0.0 110.956 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.27 -46.79 70.58 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.236 -0.915 . . . . 0.0 111.557 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -87.27 -34.88 18.76 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 119.866 1.833 . . . . 0.0 112.69 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.21 -13.69 40.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.752 -1.217 . . . . 0.0 108.86 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.61 -1.87 90.04 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.18 -39.39 13.6 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.387 1.089 . . . . 0.0 108.517 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.69 83.36 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.131 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.23 93.99 Favored Glycine 0 N--CA 1.49 2.299 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.077 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -71.19 -24.03 62.15 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.865 0.84 . . . . 0.0 112.598 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -88.93 -39.51 13.71 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.673 0.749 . . . . 0.0 109.319 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 mtt . . . . . 0 N--CA 1.491 1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.008 -179.098 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.498 2.808 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.48 71.63 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.938 -0.743 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.63 -47.0 23.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.803 . . . . 0.0 110.123 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.671 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 12.3 t80 -63.89 -46.17 86.09 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.682 -1.607 . . . . 0.0 107.028 177.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.11 -43.7 78.37 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.358 -1.464 . . . . 0.0 110.433 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.63 -45.97 59.5 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.231 -0.985 . . . . 0.0 111.104 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -89.14 -34.38 16.73 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.499 -1.589 . . . . 0.0 111.88 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.671 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.93 -19.71 65.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.629 -1.295 . . . . 0.0 108.877 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.62 -39.71 55.34 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.54 64.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.431 -1.041 . . . . 0.0 109.895 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.5 71.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.398 -0.814 . . . . 0.0 111.365 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.16 93.53 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.819 -1.175 . . . . 0.0 111.542 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.6 t -70.75 -24.28 62.59 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.897 0.856 . . . . 0.0 112.626 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p -88.89 -38.85 14.23 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.8 mmt . . . . . 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.972 -179.268 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.85 0 N-CA-C 108.534 -1.827 . . . . 0.0 108.534 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.06 72.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.843 -0.798 . . . . 0.0 111.099 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.38 -44.64 35.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.382 -0.824 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.36 -47.33 76.79 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 117.428 -1.709 . . . . 0.0 107.228 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -54.68 -43.8 72.8 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.007 -1.683 . . . . 0.0 109.555 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.33 -45.84 57.97 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.203 -0.998 . . . . 0.0 110.817 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -90.08 -35.54 15.4 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.485 -1.597 . . . . 0.0 112.139 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.51 -19.08 65.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.627 -1.296 . . . . 0.0 108.71 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.32 -39.23 52.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.41 64.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.52 -0.988 . . . . 0.0 109.983 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.07 69.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.53 94.2 Favored Glycine 0 N--CA 1.49 2.297 0 C-N-CA 119.837 -1.173 . . . . 0.0 111.276 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.78 -23.87 62.47 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.04 0.924 . . . . 0.0 112.421 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -88.87 -39.49 13.78 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.551 0.691 . . . . 0.0 109.269 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.6 mmt . . . . . 0 N--CA 1.493 1.718 0 O-C-N 121.626 -0.671 . . . . 0.0 110.098 -179.2 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.226 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.64 -29.79 70.99 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.329 0.585 . . . . 0.0 110.659 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 tp -76.47 -46.26 27.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.319 -0.863 . . . . 0.0 110.729 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -63.57 -46.21 86.91 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 117.413 -1.715 . . . . 0.0 107.197 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.1 mt -56.57 -43.92 80.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.484 -1.385 . . . . 0.0 110.695 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.7 -47.77 63.46 Favored Glycine 0 N--CA 1.491 2.351 0 O-C-N 121.136 -0.978 . . . . 0.0 111.464 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -88.19 -36.63 16.7 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 119.862 1.831 . . . . 0.0 112.778 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.61 -11.37 43.81 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.652 -1.28 . . . . 0.0 109.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.32 -41.73 16.4 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.34 61.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.19 -1.182 . . . . 0.0 109.703 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.13 82.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.84 -0.537 . . . . 0.0 110.706 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.46 92.45 Favored Glycine 0 N--CA 1.488 2.159 0 C-N-CA 119.786 -1.197 . . . . 0.0 111.252 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.22 -24.41 62.2 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.732 0.777 . . . . 0.0 112.714 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 m -88.79 -39.43 13.9 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.666 0.746 . . . . 0.0 109.326 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt . . . . . 0 N--CA 1.493 1.711 0 O-C-N 121.695 -0.628 . . . . 0.0 109.866 -179.187 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.005 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.07 71.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 122.018 -0.695 . . . . 0.0 110.683 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.1 tt -76.42 -47.35 23.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.379 -0.826 . . . . 0.0 109.943 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -64.31 -46.0 85.46 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 117.404 -1.718 . . . . 0.0 106.92 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.77 -45.38 82.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.199 -1.563 . . . . 0.0 109.867 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.22 -47.2 56.07 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -89.4 -34.96 16.3 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.552 -1.558 . . . . 0.0 111.453 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.75 -18.97 65.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.914 -1.117 . . . . 0.0 109.118 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.73 -39.3 48.66 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.01 63.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.488 -1.007 . . . . 0.0 109.926 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.455 -0.778 . . . . 0.0 111.357 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.49 93.67 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.888 -1.148 . . . . 0.0 111.466 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -70.87 -23.96 62.41 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.007 0.908 . . . . 0.0 112.438 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -88.69 -39.28 14.11 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.564 0.697 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.4 mtp . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.562 -0.711 . . . . 0.0 110.138 -179.179 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.97 73.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.956 -0.732 . . . . 0.0 111.503 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.89 -44.74 30.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.197 -0.939 . . . . 0.0 110.727 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.76 -44.02 91.41 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 117.46 -1.696 . . . . 0.0 107.009 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.98 -43.87 86.8 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.296 -1.503 . . . . 0.0 109.852 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.06 61.38 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 121.212 -0.93 . . . . 0.0 110.812 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -88.23 -33.63 18.04 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.516 -1.579 . . . . 0.0 111.439 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.66 -22.31 66.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.985 -1.072 . . . . 0.0 108.757 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.38 -40.38 55.05 Favored Glycine 0 N--CA 1.492 2.37 0 O-C-N 121.093 -1.004 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.9 -32.42 65.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.063 -1.257 . . . . 0.0 109.949 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.94 74.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.443 -0.786 . . . . 0.0 111.204 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.11 94.0 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.809 -1.186 . . . . 0.0 111.32 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.99 -23.96 62.3 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.901 0.857 . . . . 0.0 112.726 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.2 m -88.86 -39.42 13.84 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.569 0.7 . . . . 0.0 109.371 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.4 mtt . . . . . 0 N--CA 1.494 1.725 0 O-C-N 121.591 -0.693 . . . . 0.0 109.907 -179.08 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.073 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.72 70.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 122.133 -0.628 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -76.75 -47.45 21.73 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.228 -0.92 . . . . 0.0 110.614 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.03 -44.3 92.95 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.53 -1.668 . . . . 0.0 106.872 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.45 -44.84 89.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.395 -1.441 . . . . 0.0 110.246 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.37 57.53 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.239 -0.913 . . . . 0.0 110.928 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -87.67 -33.36 18.81 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.348 -1.677 . . . . 0.0 111.416 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.3 -21.76 64.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.008 -1.057 . . . . 0.0 108.418 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.72 -1.39 90.18 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.48 13.37 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.371 -1.076 . . . . 0.0 108.571 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.73 83.21 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.248 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.03 94.0 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.756 -1.211 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.1 t -71.18 -23.85 62.12 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.859 0.838 . . . . 0.0 112.695 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -89.01 -39.38 13.73 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.659 0.743 . . . . 0.0 109.404 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.5 mtt . . . . . 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.791 . . . . 0.0 109.972 -179.053 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.218 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.83 71.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 122.064 -0.668 . . . . 0.0 110.678 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.79 -47.42 21.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.362 -0.836 . . . . 0.0 110.425 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -64.28 -46.05 85.37 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 117.509 -1.677 . . . . 0.0 107.193 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.88 -44.21 77.95 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.481 -1.387 . . . . 0.0 110.188 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.92 -46.11 61.01 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.297 -0.954 . . . . 0.0 110.95 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -88.58 -35.09 17.09 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.403 -1.645 . . . . 0.0 112.197 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -62.07 -20.99 64.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.707 -1.246 . . . . 0.0 108.144 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.47 90.26 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.45 -39.32 13.44 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.39 -1.065 . . . . 0.0 108.364 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.45 84.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.08 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.43 93.73 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.761 -1.209 . . . . 0.0 111.118 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -71.17 -24.13 62.18 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.817 0.818 . . . . 0.0 112.647 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.6 m -89.06 -39.68 13.49 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.631 0.729 . . . . 0.0 109.282 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 mmt . . . . . 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.924 -179.173 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.978 0 N-CA-C 108.43 -1.868 . . . . 0.0 108.43 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.73 -31.61 72.57 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.985 -0.715 . . . . 0.0 111.154 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 mt -76.85 -45.3 28.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.89 -45.77 84.54 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 117.396 -1.721 . . . . 0.0 107.151 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.74 -44.0 69.56 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.263 -1.523 . . . . 0.0 110.026 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.37 -45.71 52.74 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.146 -1.026 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -90.8 -34.66 15.22 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.74 -1.447 . . . . 0.0 111.644 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -65.13 -25.91 67.96 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.74 -39.65 59.64 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.22 -31.39 63.45 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.45 -1.03 . . . . 0.0 109.902 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.98 74.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.4 -0.813 . . . . 0.0 111.293 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.54 93.11 Favored Glycine 0 N--CA 1.49 2.246 0 O-C-N 120.833 -1.167 . . . . 0.0 111.444 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.984 0.897 . . . . 0.0 112.695 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.93 -38.93 14.13 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.1 mmt . . . . . 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.81 . . . . 0.0 110.04 -179.215 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.499 2.835 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.48 70.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.723 -0.869 . . . . 0.0 110.586 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.62 -46.43 26.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.705 . . . . 0.0 110.029 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.693 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 16.3 t80 -64.6 -48.38 75.14 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 117.641 -1.624 . . . . 0.0 107.167 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.02 -43.38 81.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.299 -1.5 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.08 -45.35 62.8 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.692 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -88.7 -34.89 17.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.431 -1.629 . . . . 0.0 112.192 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.693 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.1 -18.46 65.36 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.784 -1.197 . . . . 0.0 108.957 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -40.26 58.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.41 63.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -1.055 . . . . 0.0 109.762 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.95 69.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.786 . . . . 0.0 111.376 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.8 93.68 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.87 -1.157 . . . . 0.0 111.333 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 t -70.58 -24.17 62.71 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.938 0.875 . . . . 0.0 112.364 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 m -88.88 -39.26 13.95 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.535 0.683 . . . . 0.0 109.25 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 tpt . . . . . 0 N--CA 1.493 1.712 0 O-C-N 121.643 -0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.008 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.05 72.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.97 -0.724 . . . . 0.0 111.23 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.7 mt -76.72 -45.02 30.98 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.286 -0.884 . . . . 0.0 110.45 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.668 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 24.9 t80 -63.25 -46.87 84.91 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 117.738 -1.585 . . . . 0.0 106.952 177.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.44 -43.66 84.09 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.459 -1.4 . . . . 0.0 110.325 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.72 66.68 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 120.228 -0.986 . . . . 0.0 111.226 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -87.66 -34.46 18.44 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.273 -1.721 . . . . 0.0 112.417 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.668 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.69 -19.33 63.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.723 -1.236 . . . . 0.0 108.551 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.42 -1.72 90.21 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.34 -39.28 13.55 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 122.309 1.052 . . . . 0.0 108.535 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.93 82.3 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.115 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.37 94.15 Favored Glycine 0 N--CA 1.49 2.269 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.089 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 t -71.14 -24.0 62.19 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.848 0.832 . . . . 0.0 112.519 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.3 m -89.01 -39.7 13.51 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.628 0.727 . . . . 0.0 109.236 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.3 mtt . . . . . 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.695 . . . . 0.0 109.851 -179.251 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 2.985 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.88 71.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.906 -0.761 . . . . 0.0 110.962 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 mt -76.58 -45.93 28.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.458 -0.777 . . . . 0.0 110.502 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.691 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 15.7 t80 -64.12 -46.54 83.69 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 117.702 -1.599 . . . . 0.0 107.083 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -56.7 -43.85 80.94 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.404 -1.435 . . . . 0.0 110.256 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.25 64.36 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.039 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -88.68 -34.83 17.07 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.488 -1.595 . . . . 0.0 112.227 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.691 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.79 -18.62 65.46 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.802 -1.186 . . . . 0.0 108.963 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.85 -39.91 58.7 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.85 -31.59 64.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.343 -1.093 . . . . 0.0 109.962 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.02 69.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.389 -0.82 . . . . 0.0 111.363 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.38 -39.59 94.25 Favored Glycine 0 N--CA 1.491 2.311 0 C-N-CA 119.848 -1.167 . . . . 0.0 111.301 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.69 -23.88 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.016 0.912 . . . . 0.0 112.423 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -89.01 -39.63 13.55 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.495 0.664 . . . . 0.0 109.239 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.5 mmt . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.167 -179.192 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.007 0 N-CA-C 108.165 -1.974 . . . . 0.0 108.165 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.81 71.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 122.178 -0.601 . . . . 0.0 111.349 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 8' ' ' LEU . 10.2 mp -76.69 -46.14 26.78 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.232 -0.918 . . . . 0.0 110.278 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.21 -46.29 84.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 117.396 -1.722 . . . . 0.0 107.087 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.73 -44.05 77.16 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.251 -1.531 . . . . 0.0 110.126 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.51 -46.54 65.16 Favored Glycine 0 N--CA 1.489 2.212 0 O-C-N 121.23 -0.919 . . . . 0.0 111.543 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -89.02 -35.92 16.1 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.333 -1.686 . . . . 0.0 112.502 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.16 -14.83 61.54 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.688 -1.258 . . . . 0.0 108.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.93 -39.89 37.18 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -31.76 65.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -1.111 . . . . 0.0 110.085 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.19 72.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.347 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.08 93.93 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.865 -1.16 . . . . 0.0 111.332 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -70.97 -23.91 62.3 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.978 0.895 . . . . 0.0 112.568 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -88.66 -39.15 14.24 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.593 0.711 . . . . 0.0 109.411 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.5 mmt . . . . . 0 N--CA 1.494 1.732 0 O-C-N 121.56 -0.712 . . . . 0.0 110.006 -179.16 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.03 0 N-CA-C 108.202 -1.959 . . . . 0.0 108.202 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.89 71.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.983 -0.716 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.05 -46.8 22.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.818 . . . . 0.0 110.196 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 19.7 t80 -63.77 -47.27 81.66 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 117.664 -1.615 . . . . 0.0 107.212 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.57 -43.23 84.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.361 -1.462 . . . . 0.0 110.622 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.65 -45.47 68.26 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.03 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -88.38 -35.08 17.34 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.316 -1.697 . . . . 0.0 112.363 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.15 -16.77 63.87 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.693 -1.254 . . . . 0.0 108.803 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.33 -40.64 48.35 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.31 64.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -1.116 . . . . 0.0 109.903 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -50.11 73.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.609 -0.682 . . . . 0.0 111.157 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.28 -39.31 94.33 Favored Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.172 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -71.17 -23.96 62.15 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.894 0.854 . . . . 0.0 112.585 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -89.07 -39.59 13.54 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt . . . . . 0 N--CA 1.492 1.652 0 O-C-N 121.61 -0.682 . . . . 0.0 109.985 -179.178 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.758 0 N-CA-C 108.176 -1.97 . . . . 0.0 108.176 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.4 71.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.783 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 8' ' ' LEU . 8.3 mp -77.09 -47.81 19.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 0.0 109.938 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' A' ' 13' ' ' LEU . 12.5 t80 -64.2 -46.61 83.16 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.576 -1.65 . . . . 0.0 106.817 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.75 -43.52 80.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.34 -1.475 . . . . 0.0 109.909 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.39 -45.07 66.27 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.14 -1.028 . . . . 0.0 110.713 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -88.97 -35.04 16.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.485 -1.597 . . . . 0.0 112.058 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.653 HD23 ' CE2' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.15 -19.14 65.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.69 -1.256 . . . . 0.0 108.82 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.47 -40.45 54.4 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.56 63.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.413 -1.051 . . . . 0.0 109.609 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -50.12 73.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 111.214 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.6 92.25 Favored Glycine 0 N--CA 1.49 2.244 0 C-N-CA 119.827 -1.177 . . . . 0.0 111.534 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -24.58 62.65 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.923 0.868 . . . . 0.0 112.533 -177.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 p -88.86 -38.75 14.34 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 tmt? . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 -179.282 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.182 0 N-CA-C 108.825 -1.71 . . . . 0.0 108.825 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.25 72.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 122.048 -0.677 . . . . 0.0 111.258 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.96 -45.42 27.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.264 -0.898 . . . . 0.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 20.2 t80 -63.35 -46.48 86.39 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 117.563 -1.655 . . . . 0.0 107.034 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.46 -43.53 84.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.512 -1.367 . . . . 0.0 110.318 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.56 -46.04 66.43 Favored Glycine 0 N--CA 1.491 2.321 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.289 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -88.04 -35.21 17.68 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.299 -1.706 . . . . 0.0 112.48 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.08 -16.26 63.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.753 -1.217 . . . . 0.0 108.849 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.13 41.1 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.922 -1.111 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.66 64.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -1.131 . . . . 0.0 109.91 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.03 78.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.392 -0.818 . . . . 0.0 111.004 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.89 -38.99 93.3 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.41 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -71.19 -24.3 62.2 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.844 0.83 . . . . 0.0 112.909 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 p -89.03 -39.22 13.83 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.637 0.732 . . . . 0.0 109.172 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.2 mmm . . . . . 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.754 . . . . 0.0 109.957 -179.192 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.095 0 N-CA-C 108.544 -1.823 . . . . 0.0 108.544 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.15 71.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 122.024 -0.692 . . . . 0.0 110.752 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.8 mt -76.78 -46.58 24.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.442 -0.786 . . . . 0.0 110.591 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.47 -45.68 86.35 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.473 -1.691 . . . . 0.0 107.214 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 tp -54.55 -44.15 72.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.269 -1.519 . . . . 0.0 110.221 -178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.97 -46.3 55.66 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 121.051 -1.031 . . . . 0.0 111.064 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -89.8 -35.08 15.9 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.562 -1.552 . . . . 0.0 112.055 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -64.75 -22.05 66.9 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.736 -1.227 . . . . 0.0 108.54 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.93 52.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -32.17 65.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -1.084 . . . . 0.0 110.116 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.41 77.02 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.349 -0.844 . . . . 0.0 111.142 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.87 -39.12 93.36 Favored Glycine 0 N--CA 1.489 2.21 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.5 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -71.11 -24.19 62.24 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.8 0.809 . . . . 0.0 112.824 -177.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -89.01 -38.9 14.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.3 ttt . . . . . 0 N--CA 1.493 1.689 0 O-C-N 121.445 -0.784 . . . . 0.0 110.0 -179.185 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.497 2.736 0 N-CA-C 108.236 -1.945 . . . . 0.0 108.236 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -30.14 71.34 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.721 -0.87 . . . . 0.0 110.713 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.41 -47.58 22.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.434 -0.791 . . . . 0.0 110.083 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -65.63 -46.26 79.92 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 117.354 -1.738 . . . . 0.0 106.9 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.28 -44.08 75.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 119.97 -1.706 . . . . 0.0 109.754 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.37 -45.28 65.76 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 120.334 -0.936 . . . . 0.0 110.877 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -89.64 -35.82 15.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.449 -1.618 . . . . 0.0 112.065 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.0 -17.33 64.61 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.739 -1.226 . . . . 0.0 108.801 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.61 -40.3 38.7 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -31.16 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.335 -1.097 . . . . 0.0 109.644 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -50.13 73.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.489 -0.757 . . . . 0.0 111.174 -178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.22 -39.69 92.32 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.835 -1.165 . . . . 0.0 111.564 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -70.66 -24.45 62.7 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.935 0.874 . . . . 0.0 112.471 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 p -89.07 -38.94 13.99 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 ttp . . . . . 0 N--CA 1.493 1.713 0 O-C-N 121.538 -0.726 . . . . 0.0 110.178 -179.274 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.939 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.26 70.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.774 -0.839 . . . . 0.0 110.471 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.2 tt -77.0 -46.84 22.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.56 -0.712 . . . . 0.0 109.753 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.686 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 18.0 t80 -63.98 -48.34 76.83 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 117.757 -1.577 . . . . 0.0 107.288 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.29 -43.04 82.83 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.209 -1.557 . . . . 0.0 109.908 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.09 -45.4 62.89 Favored Glycine 0 N--CA 1.493 2.442 0 C-N-CA 120.132 -1.032 . . . . 0.0 110.806 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -88.57 -34.79 17.23 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.494 -1.592 . . . . 0.0 112.238 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.686 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.9 -18.09 65.1 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.748 -1.22 . . . . 0.0 109.024 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.29 56.0 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.51 64.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -1.09 . . . . 0.0 109.862 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.88 -50.25 72.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 111.389 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.38 93.38 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.845 -1.169 . . . . 0.0 111.56 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 m -70.67 -24.2 62.64 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.929 0.871 . . . . 0.0 112.648 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.91 -38.97 14.12 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.521 0.676 . . . . 0.0 109.218 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.9 mtt . . . . . 0 N--CA 1.492 1.658 0 O-C-N 121.53 -0.731 . . . . 0.0 110.243 -179.254 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 2.555 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.52 71.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.696 -0.885 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.6 tp -76.42 -46.26 27.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.601 -0.687 . . . . 0.0 109.897 -179.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.69 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 17.8 t80 -64.42 -47.36 79.42 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.695 -1.602 . . . . 0.0 106.953 177.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.3 mt -57.5 -43.26 84.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.331 -1.481 . . . . 0.0 110.247 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -44.75 71.8 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 120.137 -1.03 . . . . 0.0 110.756 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -88.51 -34.94 17.24 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.45 -1.618 . . . . 0.0 112.165 -179.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.06 -17.12 64.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.746 -1.221 . . . . 0.0 109.044 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.08 -40.85 49.82 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.96 -31.44 62.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.327 -1.102 . . . . 0.0 109.693 -179.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.82 74.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.436 -0.79 . . . . 0.0 111.25 -178.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.38 -39.41 91.64 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.806 -1.188 . . . . 0.0 111.569 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -70.87 -24.61 62.53 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.974 0.892 . . . . 0.0 112.666 -176.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -88.91 -38.65 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.4 mtt . . . . . 0 N--CA 1.493 1.696 0 O-C-N 121.51 -0.744 . . . . 0.0 110.214 -179.148 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.664 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.57 -30.72 71.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.658 -0.907 . . . . 0.0 110.966 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.48 -45.58 30.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.529 -0.732 . . . . 0.0 110.417 -179.192 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.681 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 16.6 t80 -64.11 -46.86 82.3 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.036 177.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.21 -43.35 82.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.474 -1.392 . . . . 0.0 110.554 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.47 -45.33 66.7 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.809 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -88.7 -34.64 17.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.443 -1.622 . . . . 0.0 112.166 -179.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.681 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.01 -18.11 65.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.734 -1.228 . . . . 0.0 108.97 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.35 -40.5 54.92 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.06 62.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -1.095 . . . . 0.0 109.708 -179.292 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -50.68 70.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 111.435 -178.14 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.79 93.64 Favored Glycine 0 N--CA 1.491 2.3 0 C-N-CA 119.875 -1.155 . . . . 0.0 111.42 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 t -70.74 -24.14 62.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.984 0.897 . . . . 0.0 112.453 -177.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.3 m -88.95 -39.47 13.72 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.56 0.695 . . . . 0.0 109.192 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.0 mmt . . . . . 0 N--CA 1.492 1.668 0 O-C-N 121.493 -0.754 . . . . 0.0 110.288 -179.044 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.218 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.39 -31.75 73.0 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 122.177 -0.602 . . . . 0.0 111.339 -179.698 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.93 -45.39 27.96 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.243 -0.911 . . . . 0.0 110.572 -179.088 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.653 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 21.3 t80 -63.09 -45.6 91.34 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.952 177.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.1 -43.85 87.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.506 -1.371 . . . . 0.0 110.51 -178.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.03 -46.29 69.96 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.384 -178.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.58 -35.42 18.11 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.307 -1.702 . . . . 0.0 112.575 -178.412 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.653 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -64.86 -14.43 59.44 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.751 -1.218 . . . . 0.0 108.932 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.09 -42.41 24.41 Favored Glycine 0 N--CA 1.494 2.52 0 O-C-N 120.84 -1.163 . . . . 0.0 110.507 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -32.74 62.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.144 -1.209 . . . . 0.0 109.695 -179.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.17 82.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.69 -0.631 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.67 93.09 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.864 -1.16 . . . . 0.0 111.147 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 p -71.17 -24.41 62.24 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.743 0.783 . . . . 0.0 112.71 -177.181 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.5 m -88.8 -39.13 14.11 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.572 0.701 . . . . 0.0 109.229 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.2 tpt . . . . . 0 N--CA 1.491 1.613 0 CA-C-O 121.417 0.627 . . . . 0.0 109.622 -179.28 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.502 3.052 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.75 71.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 122.147 -0.619 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.18 -46.86 21.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -0.768 . . . . 0.0 110.308 -179.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.677 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 25.1 t80 -63.54 -46.48 85.78 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 117.673 -1.611 . . . . 0.0 107.025 177.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.66 -43.51 85.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.464 -1.398 . . . . 0.0 110.282 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.46 70.92 Favored Glycine 0 N--CA 1.491 2.305 0 O-C-N 121.149 -0.969 . . . . 0.0 111.068 -178.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -87.67 -34.55 18.4 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.361 -1.67 . . . . 0.0 112.54 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.677 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.9 -18.68 63.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.703 -1.248 . . . . 0.0 108.502 179.873 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.74 -1.5 90.22 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.22 -39.13 13.74 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 122.402 1.096 . . . . 0.0 108.386 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.16 81.28 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.171 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.51 -39.55 94.03 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.779 -1.201 . . . . 0.0 111.112 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -71.08 -24.05 62.24 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.915 0.864 . . . . 0.0 112.5 -177.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -88.98 -39.57 13.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.721 0.772 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.5 mtt . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.198 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.5 2.908 0 N-CA-C 108.051 -2.02 . . . . 0.0 108.051 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.78 70.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 122.034 -0.686 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -76.91 -48.03 19.39 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.268 -179.027 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.677 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 13.2 t80 -63.95 -46.53 84.26 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 117.573 -1.651 . . . . 0.0 106.783 177.794 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.71 -43.79 80.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.454 -1.403 . . . . 0.0 110.092 -178.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.67 64.63 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.178 -0.952 . . . . 0.0 110.962 -179.039 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -88.83 -35.23 16.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.318 -1.696 . . . . 0.0 112.267 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.677 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.84 -18.2 65.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.621 -1.3 . . . . 0.0 108.867 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.49 -40.46 54.27 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -31.6 63.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.425 -1.044 . . . . 0.0 109.595 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.62 70.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.522 -0.736 . . . . 0.0 111.203 -178.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.8 93.74 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.825 -1.178 . . . . 0.0 111.283 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.7 t -70.73 -24.24 62.6 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.887 0.851 . . . . 0.0 112.413 -177.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -88.96 -39.44 13.73 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.621 0.724 . . . . 0.0 109.163 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.9 mmt . . . . . 0 N--CA 1.493 1.717 0 O-C-N 121.543 -0.723 . . . . 0.0 110.146 -179.261 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.129 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.4 71.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.951 -0.735 . . . . 0.0 110.649 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -76.91 -46.09 25.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.251 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.665 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 26.6 t80 -63.59 -47.18 82.54 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 117.557 -1.657 . . . . 0.0 107.138 177.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.82 -43.52 85.83 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.419 -1.426 . . . . 0.0 110.839 -178.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.41 71.01 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.216 -0.993 . . . . 0.0 111.074 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -87.59 -34.74 18.42 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.296 -1.708 . . . . 0.0 112.528 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.665 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.76 -18.13 62.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.754 -1.217 . . . . 0.0 108.587 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.37 -1.85 90.25 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.18 13.56 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 122.353 1.073 . . . . 0.0 108.452 178.095 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.78 82.98 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.222 -178.004 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.31 93.81 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.826 -1.178 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.16 -23.95 62.15 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.961 0.886 . . . . 0.0 112.569 -177.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.3 m -88.85 -39.5 13.8 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.716 0.769 . . . . 0.0 109.382 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.4 mmt . . . . . 0 N--CA 1.492 1.631 0 O-C-N 121.519 -0.738 . . . . 0.0 109.999 -179.23 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.504 3.19 0 N-CA-C 108.884 -1.687 . . . . 0.0 108.884 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.78 -31.35 72.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 122.081 -0.658 . . . . 0.0 110.902 -179.718 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.73 -45.83 27.78 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.36 -0.837 . . . . 0.0 110.71 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.88 -46.73 83.61 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 117.374 -1.731 . . . . 0.0 107.132 177.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.8 mt -55.88 -43.63 77.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.282 -1.511 . . . . 0.0 110.408 -178.673 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.96 -46.38 61.02 Favored Glycine 0 N--CA 1.49 2.271 0 O-C-N 121.144 -0.973 . . . . 0.0 110.977 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -89.0 -35.65 16.27 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.447 -1.619 . . . . 0.0 112.299 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -64.78 -18.3 64.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.778 -1.201 . . . . 0.0 108.643 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.99 -41.17 33.3 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.36 63.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -1.21 . . . . 0.0 109.755 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.656 -0.653 . . . . 0.0 110.889 -178.175 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.21 -39.53 92.33 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.35 -179.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.3 m -71.01 -24.73 62.43 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.731 0.777 . . . . 0.0 112.798 -177.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -88.7 -38.95 14.35 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 ttt . . . . . 0 N--CA 1.493 1.685 0 O-C-N 121.549 -0.719 . . . . 0.0 109.823 -179.348 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.501 3.015 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.02 71.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 122.038 -0.683 . . . . 0.0 110.969 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 mt -76.87 -46.23 25.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 0.0 110.298 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.673 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 13.3 t80 -63.9 -46.43 84.87 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 117.612 -1.635 . . . . 0.0 106.985 177.801 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.21 -43.82 78.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.463 -1.398 . . . . 0.0 110.291 -178.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.83 -45.66 60.88 Favored Glycine 0 N--CA 1.491 2.354 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.006 -178.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -88.95 -34.82 16.76 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.447 -1.62 . . . . 0.0 112.175 -179.161 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.673 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.68 -19.44 65.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.667 -1.271 . . . . 0.0 108.859 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.05 -39.79 57.94 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.75 65.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.47 -1.018 . . . . 0.0 109.931 -179.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -50.87 70.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -0.759 . . . . 0.0 111.348 -178.006 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.53 94.15 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.772 -1.204 . . . . 0.0 111.152 -178.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -70.79 -23.95 62.48 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.983 0.897 . . . . 0.0 112.462 -177.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -89.07 -39.64 13.5 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.5 mtt . . . . . 0 N--CA 1.494 1.755 0 O-C-N 121.652 -0.655 . . . . 0.0 110.068 -179.079 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.496 2.655 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.24 70.93 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.539 -0.977 . . . . 0.0 110.645 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.9 tp -76.61 -46.36 26.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.567 -0.708 . . . . 0.0 110.157 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . 0.679 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 17.6 t80 -64.52 -48.06 76.54 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 117.693 -1.603 . . . . 0.0 107.128 177.748 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.65 -43.21 84.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.315 -1.491 . . . . 0.0 109.758 -178.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.4 -45.58 65.63 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.811 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -88.41 -35.08 17.29 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.371 -1.664 . . . . 0.0 112.278 -178.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.679 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.94 -16.8 64.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.743 -1.223 . . . . 0.0 109.015 -179.909 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.51 -40.46 54.17 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.72 63.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -1.093 . . . . 0.0 109.776 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -50.49 71.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.56 -0.713 . . . . 0.0 111.399 -178.06 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.4 93.6 Favored Glycine 0 N--CA 1.49 2.239 0 C-N-CA 119.844 -1.169 . . . . 0.0 111.355 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -70.89 -24.06 62.41 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.997 0.903 . . . . 0.0 112.446 -177.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -88.77 -39.44 13.92 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.598 0.713 . . . . 0.0 109.233 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.8 mtt . . . . . 0 N--CA 1.491 1.616 0 O-C-N 121.497 -0.752 . . . . 0.0 110.128 -179.16 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.503 3.134 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.93 73.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 122.101 -0.647 . . . . 0.0 111.323 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 8' ' ' LEU . 10.5 mp -77.07 -45.29 27.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.309 -0.869 . . . . 0.0 110.011 -179.27 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.23 -46.14 85.14 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 117.416 -1.714 . . . . 0.0 107.176 177.606 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.91 -43.82 77.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.336 -1.478 . . . . 0.0 109.947 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.05 -45.54 62.35 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.946 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -88.79 -35.04 16.87 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.466 -1.608 . . . . 0.0 112.133 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -62.12 -22.21 65.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.832 -1.167 . . . . 0.0 108.108 179.681 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild core ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.32 -1.52 90.09 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.39 -39.23 13.55 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 122.338 1.066 . . . . 0.0 108.47 178.198 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.131 -178.015 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.63 -39.09 93.72 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.372 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -71.11 -24.43 62.29 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.85 0.833 . . . . 0.0 112.906 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -88.97 -39.05 14.0 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.64 0.733 . . . . 0.0 109.233 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtt . . . . . 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 109.987 -179.184 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 CA-C-O 121.441 0.639 . . . . 0.0 109.709 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.5 t 55.25 47.62 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.741 0 O-C-N 121.477 -0.764 . . . . 0.0 110.12 179.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -89.4 -77.97 1.32 Allowed Glycine 0 N--CA 1.502 3.065 0 O-C-N 120.736 -1.227 . . . . 0.0 111.259 179.262 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 14.4 mt -67.4 -25.02 32.42 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.706 0 O-C-N 121.371 -1.076 . . . . 0.0 109.238 -179.401 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -48.64 -27.07 5.81 Favored Glycine 0 N--CA 1.502 3.092 0 N-CA-C 108.523 -1.831 . . . . 0.0 108.523 179.658 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.6 -30.83 71.89 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.992 -0.711 . . . . 0.0 111.611 -179.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.1 mt -76.11 -44.36 38.97 Favored 'General case' 0 N--CA 1.498 1.929 0 O-C-N 121.208 -0.932 . . . . 0.0 110.901 -179.072 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.2 m-85 -64.01 -46.42 84.57 Favored 'General case' 0 N--CA 1.497 1.895 0 C-N-CA 117.443 -1.703 . . . . 0.0 107.058 177.513 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . 0.443 HD23 ' O ' ' A' ' 10' ' ' LEU . 1.1 tt -55.95 -45.12 78.94 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 120.318 -1.489 . . . . 0.0 110.254 -178.647 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.21 -47.11 62.03 Favored Glycine 0 N--CA 1.491 2.33 0 O-C-N 121.143 -0.973 . . . . 0.0 111.78 -178.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.1 t80 -88.0 -35.65 17.47 Favored 'General case' 0 N--CA 1.505 2.305 0 O-C-N 120.178 -1.778 . . . . 0.0 112.844 -178.388 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -62.63 -14.97 49.32 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.698 -1.251 . . . . 0.0 108.64 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -84.53 -1.47 89.21 Favored Glycine 0 N--CA 1.497 2.707 0 N-CA-C 109.718 -1.353 . . . . 0.0 109.718 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.32 -38.85 13.86 Favored 'General case' 0 N--CA 1.498 1.948 0 CA-C-O 122.304 1.05 . . . . 0.0 108.571 178.246 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -47.42 84.64 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-N 115.202 -0.908 . . . . 0.0 111.322 -177.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.61 -38.78 93.54 Favored Glycine 0 N--CA 1.49 2.271 0 C-N-CA 119.699 -1.238 . . . . 0.0 111.279 -179.175 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 49.3 m -71.11 -23.99 62.2 Favored 'General case' 0 N--CA 1.492 1.632 0 CA-C-O 121.927 0.87 . . . . 0.0 112.672 -177.255 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 44.5 m -88.68 -39.07 14.28 Favored 'General case' 0 N--CA 1.497 1.911 0 CA-C-O 121.55 0.69 . . . . 0.0 109.35 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 27.3 ttt -77.07 -13.79 59.9 Favored 'General case' 0 N--CA 1.492 1.662 0 O-C-N 121.544 -0.723 . . . . 0.0 109.933 -179.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -77.8 -28.62 56.57 Favored Glycine 0 N--CA 1.494 2.55 0 N-CA-C 109.581 -1.407 . . . . 0.0 109.581 179.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.79 -31.6 66.77 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.269 -1.136 . . . . 0.0 109.64 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.69 -0.58 9.09 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.182 -0.949 . . . . 0.0 109.44 -179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 86.0 p -80.12 43.35 0.61 Allowed 'General case' 0 N--CA 1.496 1.831 0 O-C-N 121.411 -0.806 . . . . 0.0 109.408 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.53 ' N ' ' SD ' ' A' ' 25' ' ' MET . 1.8 mpt? 50.46 90.55 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.851 0 O-C-N 121.483 -0.76 . . . . 0.0 109.958 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.5 p -69.64 7.06 0.93 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.248 -0.907 . . . . 0.0 109.551 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.512 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.4 mp -59.69 -80.19 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.604 0 O-C-N 121.168 -0.957 . . . . 0.0 108.912 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 40.2 m -164.9 -23.02 0.03 OUTLIER 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.192 -0.943 . . . . 0.0 109.336 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.8 147.68 7.31 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.596 0 O-C-N 121.299 -0.876 . . . . 0.0 109.476 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.9 mt-30 -67.27 -95.95 0.0 OUTLIER 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.208 -0.933 . . . . 0.0 109.467 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.254 -0.903 . . . . 0.0 109.434 179.959 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.529 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.404 -0.591 . . . . 0.0 109.404 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.3 t 63.7 -59.38 0.2 Allowed 'Isoleucine or valine' 0 N--CA 1.499 2.008 0 CA-C-O 121.007 0.432 . . . . 0.0 109.942 -179.616 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.529 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 173.69 -157.06 25.15 Favored Glycine 0 N--CA 1.487 2.035 0 O-C-N 120.952 -1.092 . . . . 0.0 112.329 178.745 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 3.8 tp -65.89 -33.03 60.83 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.717 0 CA-C-O 121.365 0.603 . . . . 0.0 110.842 -178.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.82 -30.47 21.78 Favored Glycine 0 N--CA 1.502 3.083 0 N-CA-C 108.777 -1.729 . . . . 0.0 108.777 179.618 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.5 -31.48 72.65 Favored 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.778 -0.837 . . . . 0.0 112.439 -178.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 10.5 mt -75.87 -42.56 48.96 Favored 'General case' 0 N--CA 1.498 1.969 0 O-C-N 121.122 -0.986 . . . . 0.0 110.94 -178.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -61.95 -48.18 81.55 Favored 'General case' 0 N--CA 1.499 2.016 0 C-N-CA 117.592 -1.643 . . . . 0.0 106.837 177.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 36.7 mt -58.88 -43.36 90.92 Favored 'General case' 0 N--CA 1.496 1.829 0 O-C-N 120.437 -1.414 . . . . 0.0 110.956 -178.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.27 -46.79 70.58 Favored Glycine 0 N--CA 1.493 2.498 0 O-C-N 121.236 -0.915 . . . . 0.0 111.557 -178.634 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 55.2 t80 -87.27 -34.88 18.76 Favored 'General case' 0 N--CA 1.504 2.236 0 CA-C-N 119.866 1.833 . . . . 0.0 112.69 -178.172 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -63.21 -13.69 40.54 Favored 'General case' 0 N--CA 1.493 1.719 0 O-C-N 120.752 -1.217 . . . . 0.0 108.86 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -83.61 -1.87 90.04 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 109.644 -1.383 . . . . 0.0 109.644 179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.18 -39.39 13.6 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-O 122.387 1.089 . . . . 0.0 108.517 178.04 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.69 83.36 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-N 115.304 -0.862 . . . . 0.0 111.131 -177.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.23 93.99 Favored Glycine 0 N--CA 1.49 2.299 0 C-N-CA 119.739 -1.22 . . . . 0.0 111.077 -179.376 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 97.8 p -71.19 -24.03 62.15 Favored 'General case' 0 N--CA 1.491 1.621 0 CA-C-O 121.865 0.84 . . . . 0.0 112.598 -177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.8 m -88.93 -39.51 13.71 Favored 'General case' 0 N--CA 1.497 1.901 0 CA-C-O 121.673 0.749 . . . . 0.0 109.319 179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 47.1 mtt -77.12 18.55 0.37 Allowed 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.576 -0.703 . . . . 0.0 110.008 -179.098 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.3 -14.85 64.82 Favored Glycine 0 N--CA 1.49 2.275 0 N-CA-C 109.403 -1.479 . . . . 0.0 109.403 179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.469 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.46 -55.5 7.78 Favored 'General case' 0 N--CA 1.492 1.63 0 O-C-N 121.313 -1.11 . . . . 0.0 109.365 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.74 36.13 0.07 Allowed 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.188 -0.945 . . . . 0.0 109.787 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.469 ' H ' ' C ' ' A' ' 22' ' ' ALA . 32.3 t -160.08 52.74 0.33 Allowed 'General case' 0 N--CA 1.495 1.775 0 O-C-N 121.163 -0.96 . . . . 0.0 109.468 -179.886 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.1 mtt 53.79 100.39 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.747 0 O-C-N 121.323 -0.861 . . . . 0.0 110.066 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.8 p -57.37 -176.3 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.136 -0.978 . . . . 0.0 109.487 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.9 mt -67.8 -73.06 0.15 Allowed 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.293 -0.879 . . . . 0.0 109.388 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 t -172.97 16.76 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.549 0 O-C-N 121.182 -0.949 . . . . 0.0 109.361 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m -58.3 176.97 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 121.246 -0.909 . . . . 0.0 109.532 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 17.0 mm100 -59.12 131.55 51.38 Favored 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.181 -0.949 . . . . 0.0 109.348 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.51 0 O-C-N 121.215 -0.928 . . . . 0.0 109.425 179.998 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.48 0 CA-C-O 121.297 0.57 . . . . 0.0 109.507 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.8 t 55.07 102.27 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.503 -0.748 . . . . 0.0 110.35 179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.95 21.19 0.02 OUTLIER Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.666 -0.778 . . . . 0.0 112.004 178.561 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.9 mt -67.39 -29.29 45.17 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 120.649 -1.501 . . . . 0.0 108.748 179.545 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -53.04 -32.3 42.1 Favored Glycine 0 N--CA 1.498 2.808 0 N-CA-C 108.307 -1.917 . . . . 0.0 108.307 178.388 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.16 -30.48 71.63 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.938 -0.743 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.4 tp -76.63 -47.0 23.65 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 121.414 -0.803 . . . . 0.0 110.123 -179.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.671 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 12.3 t80 -63.89 -46.17 86.09 Favored 'General case' 0 N--CA 1.495 1.824 0 C-N-CA 117.682 -1.607 . . . . 0.0 107.028 177.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.4 tp -56.11 -43.7 78.37 Favored 'General case' 0 N--CA 1.496 1.831 0 O-C-N 120.358 -1.464 . . . . 0.0 110.433 -178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.63 -45.97 59.5 Favored Glycine 0 N--CA 1.493 2.462 0 C-N-CA 120.231 -0.985 . . . . 0.0 111.104 -178.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 63.4 m-85 -89.14 -34.38 16.73 Favored 'General case' 0 N--CA 1.503 2.215 0 O-C-N 120.499 -1.589 . . . . 0.0 111.88 -179.3 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.671 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.93 -19.71 65.96 Favored 'General case' 0 N--CA 1.497 1.901 0 O-C-N 120.629 -1.295 . . . . 0.0 108.877 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.62 -39.71 55.34 Favored Glycine 0 N--CA 1.491 2.355 0 N-CA-C 109.697 -1.361 . . . . 0.0 109.697 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.66 -31.54 64.49 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.431 -1.041 . . . . 0.0 109.895 -179.293 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.93 -50.5 71.91 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 121.398 -0.814 . . . . 0.0 111.365 -177.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.76 -39.16 93.53 Favored Glycine 0 N--CA 1.491 2.359 0 O-C-N 120.819 -1.175 . . . . 0.0 111.542 -178.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.6 t -70.75 -24.28 62.59 Favored 'General case' 0 N--CA 1.493 1.72 0 CA-C-O 121.897 0.856 . . . . 0.0 112.626 -177.191 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.0 p -88.89 -38.85 14.23 Favored 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 109.025 -0.731 . . . . 0.0 109.025 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.8 mmt -77.76 13.31 1.37 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.519 -0.738 . . . . 0.0 109.972 -179.268 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -62.16 -33.0 84.45 Favored Glycine 0 N--CA 1.489 2.225 0 N-CA-C 109.691 -1.364 . . . . 0.0 109.691 -179.677 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.4 -2.47 16.63 Favored 'General case' 0 N--CA 1.493 1.688 0 O-C-N 121.217 -1.166 . . . . 0.0 109.47 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.32 7.47 1.32 Allowed 'General case' 0 N--CA 1.493 1.683 0 O-C-N 121.243 -0.911 . . . . 0.0 109.4 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 22' ' ' ALA . 43.3 m -79.6 45.16 0.66 Allowed 'General case' 0 N--CA 1.495 1.81 0 O-C-N 121.388 -0.82 . . . . 0.0 109.477 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 31.2 mtt 51.51 84.39 0.05 OUTLIER 'General case' 0 N--CA 1.494 1.73 0 O-C-N 121.281 -0.887 . . . . 0.0 110.026 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 65.0 p -65.24 139.64 58.65 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.198 -0.938 . . . . 0.0 109.421 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.5 mp -59.81 90.66 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.671 0 O-C-N 121.33 -0.856 . . . . 0.0 108.869 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 70.0 p -65.86 111.0 3.06 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.254 -0.904 . . . . 0.0 109.539 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.8 m -62.75 -163.72 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.547 0 O-C-N 121.227 -0.92 . . . . 0.0 109.497 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.519 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 16.2 mp0 -59.16 170.34 0.93 Allowed 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.186 -0.946 . . . . 0.0 109.296 179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.5 0 O-C-N 121.25 -0.907 . . . . 0.0 109.512 179.975 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.432 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 58.0 t 52.25 -93.86 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.628 0 O-C-N 121.311 -0.868 . . . . 0.0 109.185 -179.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.432 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 170.96 87.4 0.07 OUTLIER Glycine 0 N--CA 1.491 2.315 0 O-C-N 121.146 -0.971 . . . . 0.0 111.734 178.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 90.9 mt -67.53 -25.05 32.21 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.414 0 O-C-N 121.043 -1.269 . . . . 0.0 107.935 178.56 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.6 -28.78 16.4 Favored Glycine 0 N--CA 1.499 2.85 0 N-CA-C 108.534 -1.827 . . . . 0.0 108.534 179.104 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.47 -32.06 72.05 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.843 -0.798 . . . . 0.0 111.099 -179.539 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.9 mt -76.38 -44.64 35.44 Favored 'General case' 0 N--CA 1.494 1.754 0 O-C-N 121.382 -0.824 . . . . 0.0 110.254 -179.589 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.5 m-85 -65.36 -47.33 76.79 Favored 'General case' 0 N--CA 1.496 1.861 0 C-N-CA 117.428 -1.709 . . . . 0.0 107.228 177.337 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 7.1 mp -54.68 -43.8 72.8 Favored 'General case' 0 N--CA 1.498 1.934 0 O-C-N 120.007 -1.683 . . . . 0.0 109.555 -178.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.33 -45.84 57.97 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.203 -0.998 . . . . 0.0 110.817 -179.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 54.0 t80 -90.08 -35.54 15.4 Favored 'General case' 0 N--CA 1.503 2.179 0 O-C-N 120.485 -1.597 . . . . 0.0 112.139 -179.215 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -65.51 -19.08 65.78 Favored 'General case' 0 N--CA 1.496 1.868 0 O-C-N 120.627 -1.296 . . . . 0.0 108.71 179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.32 -39.23 52.14 Favored Glycine 0 N--CA 1.494 2.507 0 N-CA-C 109.538 -1.425 . . . . 0.0 109.538 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.92 -31.41 64.89 Favored 'General case' 0 N--CA 1.491 1.597 0 O-C-N 121.52 -0.988 . . . . 0.0 109.983 -179.23 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.24 -51.07 69.22 Favored 'General case' 0 N--CA 1.49 1.57 0 O-C-N 121.327 -0.858 . . . . 0.0 111.46 -178.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.53 94.2 Favored Glycine 0 N--CA 1.49 2.297 0 C-N-CA 119.837 -1.173 . . . . 0.0 111.276 -178.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.78 -23.87 62.47 Favored 'General case' 0 N--CA 1.491 1.599 0 CA-C-O 122.04 0.924 . . . . 0.0 112.421 -177.284 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.6 m -88.87 -39.49 13.78 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 121.551 0.691 . . . . 0.0 109.269 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 21.6 mmt -77.81 9.9 3.18 Favored 'General case' 0 N--CA 1.493 1.718 0 O-C-N 121.626 -0.671 . . . . 0.0 110.098 -179.2 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -67.09 -20.93 71.41 Favored Glycine 0 N--CA 1.49 2.285 0 N-CA-C 109.646 -1.381 . . . . 0.0 109.646 -179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.52 -9.86 58.86 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.262 -1.14 . . . . 0.0 109.467 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.07 -1.45 12.3 Favored 'General case' 0 N--CA 1.491 1.602 0 O-C-N 121.229 -0.919 . . . . 0.0 109.512 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 34.7 t -79.92 39.35 0.43 Allowed 'General case' 0 N--CA 1.495 1.787 0 O-C-N 121.357 -0.84 . . . . 0.0 109.408 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.3 mtt 52.13 31.8 9.54 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.367 -0.833 . . . . 0.0 110.033 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 19.9 p -70.63 -33.31 70.87 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.132 -0.98 . . . . 0.0 109.423 -179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.6 mt -67.77 -2.08 6.48 Favored 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.157 -0.964 . . . . 0.0 109.423 -179.864 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 42.8 m -61.22 -20.89 63.32 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.226 -0.921 . . . . 0.0 109.463 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.2 m -59.82 -164.62 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.543 0 O-C-N 121.219 -0.926 . . . . 0.0 109.485 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.458 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 8.5 mp0 -63.58 172.26 2.18 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.227 -0.92 . . . . 0.0 109.338 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.495 1.786 0 O-C-N 121.438 -0.789 . . . . 0.0 109.89 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 61.9 t 52.31 -95.78 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.725 0 O-C-N 121.38 -0.825 . . . . 0.0 108.957 -179.587 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.487 ' C ' ' H ' ' A' ' 6' ' ' GLY . . . 172.77 -122.42 0.93 Allowed Glycine 0 N--CA 1.488 2.159 0 C-N-CA 120.209 -0.996 . . . . 0.0 112.139 178.615 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.408 ' C ' ' N ' ' A' ' 7' ' ' ALA . 36.8 pt -71.09 20.27 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 121.809 -0.818 . . . . 0.0 110.889 -179.335 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.487 ' H ' ' C ' ' A' ' 4' ' ' GLY . . . -46.47 -25.51 2.09 Favored Glycine 0 N--CA 1.504 3.226 0 N-CA-C 108.343 -1.903 . . . . 0.0 108.343 179.653 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.408 ' N ' ' C ' ' A' ' 5' ' ' ILE . . . -63.64 -29.79 70.99 Favored 'General case' 0 N--CA 1.491 1.592 0 CA-C-O 121.329 0.585 . . . . 0.0 110.659 179.85 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 11.9 tp -76.47 -46.26 27.6 Favored 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.319 -0.863 . . . . 0.0 110.729 -178.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -63.57 -46.21 86.91 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 117.413 -1.715 . . . . 0.0 107.197 177.617 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 31.1 mt -56.57 -43.92 80.49 Favored 'General case' 0 N--CA 1.494 1.756 0 O-C-N 120.484 -1.385 . . . . 0.0 110.695 -178.43 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.7 -47.77 63.46 Favored Glycine 0 N--CA 1.491 2.351 0 O-C-N 121.136 -0.978 . . . . 0.0 111.464 -178.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 88.9 m-85 -88.19 -36.63 16.7 Favored 'General case' 0 N--CA 1.505 2.283 0 CA-C-N 119.862 1.831 . . . . 0.0 112.778 -178.265 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.9 mm? -65.61 -11.37 43.81 Favored 'General case' 0 N--CA 1.494 1.747 0 O-C-N 120.652 -1.28 . . . . 0.0 109.135 -179.783 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -78.32 -41.73 16.4 Favored Glycine 0 N--CA 1.494 2.566 0 N-CA-C 109.859 -1.296 . . . . 0.0 109.859 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.03 -32.34 61.77 Favored 'General case' 0 N--CA 1.494 1.735 0 O-C-N 121.19 -1.182 . . . . 0.0 109.703 -179.281 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.23 -48.13 82.88 Favored 'General case' 0 N--CA 1.489 1.521 0 O-C-N 121.84 -0.537 . . . . 0.0 110.706 -178.125 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.18 -39.46 92.45 Favored Glycine 0 N--CA 1.488 2.159 0 C-N-CA 119.786 -1.197 . . . . 0.0 111.252 -179.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.22 -24.41 62.2 Favored 'General case' 0 N--CA 1.494 1.739 0 CA-C-O 121.732 0.777 . . . . 0.0 112.714 -177.26 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 34.3 m -88.79 -39.43 13.9 Favored 'General case' 0 N--CA 1.498 1.93 0 CA-C-O 121.666 0.746 . . . . 0.0 109.326 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.2 mmt -77.51 5.57 8.72 Favored 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.695 -0.628 . . . . 0.0 109.866 -179.187 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.07 -2.85 89.27 Favored Glycine 0 N--CA 1.495 2.622 0 N-CA-C 109.494 -1.443 . . . . 0.0 109.494 179.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.418 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.31 -37.7 71.79 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.288 -1.125 . . . . 0.0 109.57 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.31 7.9 1.18 Allowed 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.286 -0.884 . . . . 0.0 109.397 179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.418 ' H ' ' C ' ' A' ' 22' ' ' ALA . 29.5 t -79.43 42.49 0.51 Allowed 'General case' 0 N--CA 1.494 1.759 0 O-C-N 121.418 -0.801 . . . . 0.0 109.541 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 15.0 tpt 53.1 92.84 0.02 OUTLIER 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.24 -0.912 . . . . 0.0 109.773 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.432 ' C ' ' H ' ' A' ' 28' ' ' THR . 42.8 p -69.14 138.02 53.86 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.235 -0.915 . . . . 0.0 109.406 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.502 HD22 ' N ' ' A' ' 27' ' ' LEU . 3.0 mm? -71.4 8.47 1.04 Allowed 'General case' 0 N--CA 1.493 1.684 0 O-C-N 121.222 -0.924 . . . . 0.0 108.902 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.432 ' H ' ' C ' ' A' ' 26' ' ' THR . 8.4 p 53.03 -147.8 0.46 Allowed 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.173 -0.954 . . . . 0.0 109.803 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.6 t -57.95 133.5 22.79 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.528 0 O-C-N 121.203 -0.936 . . . . 0.0 109.557 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 94.3 mm-40 -66.2 165.27 14.08 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.246 -0.909 . . . . 0.0 109.386 -179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.201 -0.937 . . . . 0.0 109.51 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.496 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.513 0 N-CA-C 109.506 -0.553 . . . . 0.0 109.506 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 6.0 t 58.69 -0.19 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.495 1.79 0 O-C-N 121.567 -0.708 . . . . 0.0 110.023 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.496 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -88.61 68.1 2.92 Favored Glycine 0 N--CA 1.497 2.713 0 O-C-N 120.743 -1.223 . . . . 0.0 111.514 179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 22.8 pt -67.24 -28.28 41.96 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.57 0 O-C-N 121.104 -1.233 . . . . 0.0 108.506 178.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.21 -29.71 16.2 Favored Glycine 0 N--CA 1.501 3.005 0 N-CA-C 108.317 -1.913 . . . . 0.0 108.317 178.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.06 -30.07 71.31 Favored 'General case' 0 N--CA 1.493 1.698 0 O-C-N 122.018 -0.695 . . . . 0.0 110.683 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.428 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.1 tt -76.42 -47.35 23.45 Favored 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.379 -0.826 . . . . 0.0 109.943 -179.245 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.1 m-85 -64.31 -46.0 85.46 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 117.404 -1.718 . . . . 0.0 106.92 177.038 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.2 tp -56.77 -45.38 82.15 Favored 'General case' 0 N--CA 1.494 1.73 0 O-C-N 120.199 -1.563 . . . . 0.0 109.867 -179.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.22 -47.2 56.07 Favored Glycine 0 N--CA 1.494 2.502 0 N-CA-C 110.585 -1.006 . . . . 0.0 110.585 -179.294 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.8 t80 -89.4 -34.96 16.3 Favored 'General case' 0 N--CA 1.501 2.082 0 O-C-N 120.552 -1.558 . . . . 0.0 111.453 -179.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 37.6 tp -65.75 -18.97 65.71 Favored 'General case' 0 N--CA 1.492 1.639 0 O-C-N 120.914 -1.117 . . . . 0.0 109.118 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.73 -39.3 48.66 Favored Glycine 0 N--CA 1.494 2.503 0 N-CA-C 109.525 -1.43 . . . . 0.0 109.525 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.47 -31.01 63.6 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.488 -1.007 . . . . 0.0 109.926 -179.203 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.38 -50.68 70.59 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.455 -0.778 . . . . 0.0 111.357 -177.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.49 93.67 Favored Glycine 0 N--CA 1.491 2.323 0 C-N-CA 119.888 -1.148 . . . . 0.0 111.466 -178.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.3 t -70.87 -23.96 62.41 Favored 'General case' 0 N--CA 1.492 1.664 0 CA-C-O 122.007 0.908 . . . . 0.0 112.438 -177.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 53.8 m -88.69 -39.28 14.11 Favored 'General case' 0 N--CA 1.495 1.825 0 CA-C-O 121.564 0.697 . . . . 0.0 109.277 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 79.4 mtp -77.84 -5.76 51.96 Favored 'General case' 0 N--CA 1.494 1.726 0 O-C-N 121.562 -0.711 . . . . 0.0 110.138 -179.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.71 5.94 10.37 Favored Glycine 0 N--CA 1.493 2.473 0 N-CA-C 109.62 -1.392 . . . . 0.0 109.62 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.91 -34.42 69.08 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.179 -1.189 . . . . 0.0 109.606 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 8.46 1.01 Allowed 'General case' 0 N--CA 1.493 1.678 0 O-C-N 121.22 -0.925 . . . . 0.0 109.59 -179.837 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.425 ' H ' ' C ' ' A' ' 22' ' ' ALA . 34.4 t -79.68 40.3 0.44 Allowed 'General case' 0 N--CA 1.495 1.788 0 O-C-N 121.229 -0.919 . . . . 0.0 109.524 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 53.7 mtm 51.45 -155.79 0.14 Allowed 'General case' 0 N--CA 1.494 1.742 0 O-C-N 121.251 -0.906 . . . . 0.0 110.028 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 74.2 p -68.19 85.73 0.26 Allowed 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.235 -0.916 . . . . 0.0 109.38 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt 56.06 171.08 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.33 -0.856 . . . . 0.0 109.606 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 71.4 p -69.74 167.6 16.78 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.226 -0.921 . . . . 0.0 109.503 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.45 ' O ' ' N ' ' A' ' 31' ' ' ALA . 35.9 t -67.81 89.84 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.576 0 O-C-N 121.269 -0.894 . . . . 0.0 109.433 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 89.5 mt-30 -62.08 82.77 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.578 0 O-C-N 121.279 -0.888 . . . . 0.0 109.523 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.551 0 O-C-N 121.241 -0.912 . . . . 0.0 109.368 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.503 -0.555 . . . . 0.0 109.503 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.6 t 56.19 16.37 0.07 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.711 0 CA-C-O 122.057 0.932 . . . . 0.0 109.009 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.9 127.33 1.0 Allowed Glycine 0 N--CA 1.488 2.144 0 O-C-N 121.427 -0.796 . . . . 0.0 111.179 178.705 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.9 mt -67.49 -19.06 24.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.489 0 N-CA-C 108.552 -0.907 . . . . 0.0 108.552 178.778 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -48.46 -26.28 5.01 Favored Glycine 0 N--CA 1.502 3.089 0 N-CA-C 108.807 -1.717 . . . . 0.0 108.807 179.611 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.81 -31.97 73.07 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.956 -0.732 . . . . 0.0 111.503 -179.247 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 12.4 mt -76.89 -44.74 30.72 Favored 'General case' 0 N--CA 1.497 1.893 0 O-C-N 121.197 -0.939 . . . . 0.0 110.727 -179.239 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 16.6 t80 -64.76 -44.02 91.41 Favored 'General case' 0 N--CA 1.497 1.907 0 C-N-CA 117.46 -1.696 . . . . 0.0 107.009 177.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.6 tp -57.98 -43.87 86.8 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 120.296 -1.503 . . . . 0.0 109.852 -179.093 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.98 -46.06 61.38 Favored Glycine 0 N--CA 1.492 2.384 0 O-C-N 121.212 -0.93 . . . . 0.0 110.812 -178.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -88.23 -33.63 18.04 Favored 'General case' 0 N--CA 1.501 2.093 0 O-C-N 120.516 -1.579 . . . . 0.0 111.439 -179.482 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 27.7 tp -63.66 -22.31 66.84 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.985 -1.072 . . . . 0.0 108.757 179.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.38 -40.38 55.05 Favored Glycine 0 N--CA 1.492 2.37 0 O-C-N 121.093 -1.004 . . . . 0.0 110.649 -179.308 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.9 -32.42 65.89 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.063 -1.257 . . . . 0.0 109.949 -179.015 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.84 -49.94 74.28 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.443 -0.786 . . . . 0.0 111.204 -177.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.45 -39.11 94.0 Favored Glycine 0 N--CA 1.49 2.256 0 C-N-CA 119.809 -1.186 . . . . 0.0 111.32 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 85.9 p -70.99 -23.96 62.3 Favored 'General case' 0 N--CA 1.492 1.662 0 CA-C-O 121.901 0.857 . . . . 0.0 112.726 -177.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.408 ' C ' ' H ' ' A' ' 21' ' ' GLY . 41.2 m -88.86 -39.42 13.84 Favored 'General case' 0 N--CA 1.496 1.858 0 CA-C-O 121.569 0.7 . . . . 0.0 109.371 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 57.4 mtt -77.36 23.72 0.2 Allowed 'General case' 0 N--CA 1.494 1.725 0 O-C-N 121.591 -0.693 . . . . 0.0 109.907 -179.08 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.408 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -68.6 -50.49 36.63 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.753 -1.339 . . . . 0.0 109.753 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.455 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.37 -37.86 71.59 Favored 'General case' 0 N--CA 1.492 1.669 0 O-C-N 121.164 -1.198 . . . . 0.0 109.622 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.71 18.1 0.1 Allowed 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.285 -0.884 . . . . 0.0 109.905 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.455 ' H ' ' C ' ' A' ' 22' ' ' ALA . 43.0 m -78.76 35.52 0.24 Allowed 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.189 -0.944 . . . . 0.0 109.581 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.9 ttt 51.56 88.15 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.778 0 O-C-N 121.388 -0.82 . . . . 0.0 110.128 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.5 m -69.12 111.1 4.87 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.217 -0.927 . . . . 0.0 109.354 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 20.6 tp -170.1 -47.59 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.311 -0.868 . . . . 0.0 109.017 -179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 6.5 t -57.59 139.5 53.37 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.281 -0.887 . . . . 0.0 109.567 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.9 t -66.9 85.36 0.1 OUTLIER 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.208 -0.932 . . . . 0.0 109.462 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 79.2 mm-40 52.38 -158.28 0.13 Allowed 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.422 -0.799 . . . . 0.0 109.843 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.554 0 O-C-N 121.309 -0.87 . . . . 0.0 109.47 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 N-CA-C 109.382 -0.599 . . . . 0.0 109.382 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 8.4 t 59.5 124.74 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.705 0 CA-C-O 121.841 0.829 . . . . 0.0 110.945 179.51 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.08 -119.93 0.76 Allowed Glycine 0 N--CA 1.489 2.195 0 C-N-CA 120.671 -0.776 . . . . 0.0 111.722 178.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 94.4 mt -68.0 -14.98 19.07 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.69 0 O-C-N 121.758 -0.848 . . . . 0.0 108.887 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.85 -27.19 4.66 Favored Glycine 0 N--CA 1.502 3.073 0 N-CA-C 108.335 -1.906 . . . . 0.0 108.335 179.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -64.01 -29.72 70.85 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 122.133 -0.628 . . . . 0.0 110.978 179.885 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -76.75 -47.45 21.73 Favored 'General case' 0 N--CA 1.495 1.818 0 O-C-N 121.228 -0.92 . . . . 0.0 110.614 -178.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 18.5 t80 -64.03 -44.3 92.95 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.53 -1.668 . . . . 0.0 106.872 177.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -58.45 -44.84 89.39 Favored 'General case' 0 N--CA 1.492 1.631 0 O-C-N 120.395 -1.441 . . . . 0.0 110.246 -178.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.55 -47.37 57.53 Favored Glycine 0 N--CA 1.493 2.446 0 O-C-N 121.239 -0.913 . . . . 0.0 110.928 -179.008 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.3 t80 -87.67 -33.36 18.81 Favored 'General case' 0 N--CA 1.499 2.022 0 O-C-N 120.348 -1.677 . . . . 0.0 111.416 -179.22 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 30.1 tp -61.3 -21.76 64.25 Favored 'General case' 0 N--CA 1.491 1.593 0 O-C-N 121.008 -1.057 . . . . 0.0 108.418 179.374 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.72 -1.39 90.18 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 110.204 -1.158 . . . . 0.0 110.204 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.48 13.37 Favored 'General case' 0 N--CA 1.499 1.993 0 O-C-N 121.371 -1.076 . . . . 0.0 108.571 178.125 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -47.73 83.21 Favored 'General case' 0 N--CA 1.491 1.617 0 CA-C-N 115.228 -0.896 . . . . 0.0 111.248 -177.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.03 94.0 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.756 -1.211 . . . . 0.0 111.24 -179.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.1 t -71.18 -23.85 62.12 Favored 'General case' 0 N--CA 1.493 1.708 0 CA-C-O 121.859 0.838 . . . . 0.0 112.695 -177.291 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 41.1 m -89.01 -39.38 13.73 Favored 'General case' 0 N--CA 1.497 1.877 0 CA-C-O 121.659 0.743 . . . . 0.0 109.404 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.5 mtt -77.4 5.96 7.8 Favored 'General case' 0 N--CA 1.493 1.69 0 O-C-N 121.435 -0.791 . . . . 0.0 109.972 -179.053 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.11 -13.39 81.06 Favored Glycine 0 N--CA 1.496 2.669 0 N-CA-C 109.424 -1.47 . . . . 0.0 109.424 179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.405 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.7 -31.44 66.75 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.27 -1.135 . . . . 0.0 109.607 -179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.64 5.6 1.81 Allowed 'General case' 0 N--CA 1.493 1.706 0 O-C-N 121.151 -0.968 . . . . 0.0 109.387 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.405 ' H ' ' C ' ' A' ' 22' ' ' ALA . 27.9 m -79.94 75.52 6.66 Favored 'General case' 0 N--CA 1.495 1.823 0 O-C-N 121.381 -0.825 . . . . 0.0 109.466 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 21.2 ttt 53.01 99.46 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.771 0 O-C-N 121.428 -0.795 . . . . 0.0 110.002 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 37.4 m -164.51 -17.75 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.741 0 O-C-N 121.251 -0.906 . . . . 0.0 109.307 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -169.54 -53.84 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.168 -0.957 . . . . 0.0 108.941 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.6 p -61.21 127.13 30.01 Favored 'General case' 0 N--CA 1.489 1.522 0 O-C-N 121.222 -0.924 . . . . 0.0 109.418 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' C ' ' H ' ' A' ' 31' ' ' ALA . 22.7 t -58.8 144.57 11.72 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.217 -0.927 . . . . 0.0 109.426 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -70.06 8.62 0.7 Allowed 'General case' 0 N--CA 1.492 1.636 0 O-C-N 121.274 -0.891 . . . . 0.0 109.657 -179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.441 ' H ' ' C ' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.609 0 O-C-N 121.204 -0.935 . . . . 0.0 109.45 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.646 0 N-CA-C 109.508 -0.553 . . . . 0.0 109.508 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t 60.27 147.5 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.567 0 CA-C-O 121.962 0.887 . . . . 0.0 110.264 179.826 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.14 177.75 44.46 Favored Glycine 0 N--CA 1.485 1.955 0 N-CA-C 111.068 -0.813 . . . . 0.0 111.068 178.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 27.0 pt -68.84 -3.31 2.6 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.634 0 O-C-N 121.903 -0.763 . . . . 0.0 109.087 179.183 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.18 -25.65 1.93 Allowed Glycine 0 N--CA 1.504 3.218 0 N-CA-C 108.61 -1.796 . . . . 0.0 108.61 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.51 -29.83 71.04 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 122.064 -0.668 . . . . 0.0 110.678 179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.79 -47.42 21.66 Favored 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.362 -0.836 . . . . 0.0 110.425 -179.126 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -64.28 -46.05 85.37 Favored 'General case' 0 N--CA 1.496 1.87 0 C-N-CA 117.509 -1.677 . . . . 0.0 107.193 177.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -55.88 -44.21 77.95 Favored 'General case' 0 N--CA 1.495 1.78 0 O-C-N 120.481 -1.387 . . . . 0.0 110.188 -178.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.92 -46.11 61.01 Favored Glycine 0 N--CA 1.491 2.348 0 C-N-CA 120.297 -0.954 . . . . 0.0 110.95 -179.178 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -88.58 -35.09 17.09 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.403 -1.645 . . . . 0.0 112.197 -178.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.446 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -62.07 -20.99 64.58 Favored 'General case' 0 N--CA 1.494 1.76 0 O-C-N 120.707 -1.246 . . . . 0.0 108.144 179.814 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.88 -1.47 90.26 Favored Glycine 0 N--CA 1.495 2.62 0 N-CA-C 109.819 -1.312 . . . . 0.0 109.819 179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.45 -39.32 13.44 Favored 'General case' 0 N--CA 1.498 1.95 0 O-C-N 121.39 -1.065 . . . . 0.0 108.364 178.163 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.86 -47.45 84.98 Favored 'General case' 0 N--CA 1.491 1.586 0 CA-C-N 115.27 -0.877 . . . . 0.0 111.08 -178.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.67 -39.43 93.73 Favored Glycine 0 N--CA 1.489 2.192 0 C-N-CA 119.761 -1.209 . . . . 0.0 111.118 -179.238 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 95.1 p -71.17 -24.13 62.18 Favored 'General case' 0 N--CA 1.493 1.718 0 CA-C-O 121.817 0.818 . . . . 0.0 112.647 -177.358 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 38.6 m -89.06 -39.68 13.49 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-O 121.631 0.729 . . . . 0.0 109.282 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.0 mmt -77.18 15.76 0.68 Allowed 'General case' 0 N--CA 1.492 1.659 0 O-C-N 121.577 -0.702 . . . . 0.0 109.924 -179.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.1 -33.57 59.27 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.401 -1.48 . . . . 0.0 109.401 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.13 -47.01 54.25 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.165 -1.197 . . . . 0.0 109.554 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.01 4.28 2.77 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.288 -0.883 . . . . 0.0 109.62 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 48.8 p -79.56 59.56 3.02 Favored 'General case' 0 N--CA 1.496 1.85 0 O-C-N 121.315 -0.866 . . . . 0.0 109.35 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 52.2 mtm 51.81 91.74 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.809 0 O-C-N 121.235 -0.915 . . . . 0.0 109.94 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.8 t -57.85 143.88 40.84 Favored 'General case' 0 N--CA 1.49 1.561 0 O-C-N 121.208 -0.933 . . . . 0.0 109.597 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.11 -59.32 3.11 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -0.868 . . . . 0.0 109.327 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 55.9 p -64.26 168.46 5.54 Favored 'General case' 0 N--CA 1.491 1.584 0 O-C-N 121.186 -0.946 . . . . 0.0 109.474 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.402 ' C ' ' H ' ' A' ' 31' ' ' ALA . 33.0 t -62.08 153.6 5.92 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.524 0 O-C-N 121.245 -0.909 . . . . 0.0 109.397 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 62.7 mt-30 -57.35 -7.7 0.63 Allowed 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.112 -0.992 . . . . 0.0 109.562 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . 0.402 ' H ' ' C ' ' A' ' 29' ' ' VAL . . . . . . . . 0 N--CA 1.49 1.56 0 O-C-N 121.234 -0.916 . . . . 0.0 109.485 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.578 0 CA-C-O 121.285 0.564 . . . . 0.0 109.57 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 t 53.95 37.5 0.27 Allowed 'Isoleucine or valine' 0 N--CA 1.494 1.732 0 O-C-N 121.304 -0.873 . . . . 0.0 109.482 179.743 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.76 69.49 3.08 Favored Glycine 0 N--CA 1.495 2.597 0 O-C-N 120.973 -1.079 . . . . 0.0 111.404 179.684 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 15.3 tt -67.09 -27.89 40.92 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.579 0 O-C-N 121.091 -1.241 . . . . 0.0 108.313 178.759 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -49.53 -28.42 10.12 Favored Glycine 0 N--CA 1.501 2.978 0 N-CA-C 108.43 -1.868 . . . . 0.0 108.43 179.134 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.73 -31.61 72.57 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.985 -0.715 . . . . 0.0 111.154 -179.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 15.9 mt -76.85 -45.3 28.9 Favored 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.317 -0.864 . . . . 0.0 110.299 -179.375 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.7 m-85 -64.89 -45.77 84.54 Favored 'General case' 0 N--CA 1.497 1.879 0 C-N-CA 117.396 -1.721 . . . . 0.0 107.151 177.405 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.5 tp -53.74 -44.0 69.56 Favored 'General case' 0 N--CA 1.496 1.844 0 O-C-N 120.263 -1.523 . . . . 0.0 110.026 -178.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.37 -45.71 52.74 Favored Glycine 0 N--CA 1.492 2.412 0 C-N-CA 120.146 -1.026 . . . . 0.0 110.639 -179.597 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -90.8 -34.66 15.22 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.74 -1.447 . . . . 0.0 111.644 -179.693 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.451 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -65.13 -25.91 67.96 Favored 'General case' 0 N--CA 1.495 1.788 0 O-C-N 120.794 -1.191 . . . . 0.0 108.554 179.671 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.74 -39.65 59.64 Favored Glycine 0 N--CA 1.492 2.425 0 N-CA-C 109.726 -1.35 . . . . 0.0 109.726 179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.22 -31.39 63.45 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.45 -1.03 . . . . 0.0 109.902 -179.37 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.75 -49.98 74.21 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.4 -0.813 . . . . 0.0 111.293 -178.052 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.54 93.11 Favored Glycine 0 N--CA 1.49 2.246 0 O-C-N 120.833 -1.167 . . . . 0.0 111.444 -178.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 45.7 t -70.56 -24.52 62.8 Favored 'General case' 0 N--CA 1.492 1.667 0 CA-C-O 121.984 0.897 . . . . 0.0 112.695 -177.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.93 -38.93 14.13 Favored 'General case' 0 N--CA 1.496 1.84 0 N-CA-C 109.003 -0.739 . . . . 0.0 109.003 179.855 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.1 mmt -77.78 -33.55 52.59 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.405 -0.81 . . . . 0.0 110.04 -179.215 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.55 -44.29 33.57 Favored Glycine 0 N--CA 1.493 2.493 0 N-CA-C 109.63 -1.388 . . . . 0.0 109.63 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.38 -1.46 13.08 Favored 'General case' 0 N--CA 1.491 1.617 0 O-C-N 121.25 -1.147 . . . . 0.0 109.44 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . 0.4 ' C ' ' H ' ' A' ' 25' ' ' MET . . . -71.12 5.46 2.1 Favored 'General case' 0 N--CA 1.493 1.675 0 O-C-N 121.24 -0.913 . . . . 0.0 109.429 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 98.3 p -79.64 31.01 0.24 Allowed 'General case' 0 N--CA 1.496 1.826 0 O-C-N 121.455 -0.778 . . . . 0.0 109.352 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.4 ' H ' ' C ' ' A' ' 23' ' ' ALA . 25.9 ttt 52.45 74.06 0.3 Allowed 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.405 -0.81 . . . . 0.0 109.903 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.7 p -70.59 127.88 34.21 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.151 -0.968 . . . . 0.0 109.391 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -66.97 -19.56 65.74 Favored 'General case' 0 N--CA 1.49 1.566 0 O-C-N 121.222 -0.924 . . . . 0.0 109.196 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 t -171.84 143.35 1.63 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.289 -0.882 . . . . 0.0 109.374 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 33.2 m -69.77 138.33 22.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.614 0 O-C-N 121.157 -0.964 . . . . 0.0 109.538 -179.794 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 73.1 mt-30 -77.82 133.89 38.1 Favored 'General case' 0 N--CA 1.494 1.774 0 O-C-N 121.249 -0.907 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.592 0 O-C-N 121.305 -0.872 . . . . 0.0 109.524 179.972 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 47.6 t 52.6 -99.39 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.633 0 O-C-N 121.24 -0.912 . . . . 0.0 108.905 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 171.46 57.5 0.04 OUTLIER Glycine 0 N--CA 1.49 2.292 0 O-C-N 121.093 -1.004 . . . . 0.0 111.758 178.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.3 tt -67.36 -30.11 47.98 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.518 0 O-C-N 120.872 -1.37 . . . . 0.0 108.653 179.058 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.25 -31.72 35.04 Favored Glycine 0 N--CA 1.499 2.835 0 N-CA-C 108.367 -1.893 . . . . 0.0 108.367 178.597 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.96 -30.48 70.95 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.723 -0.869 . . . . 0.0 110.586 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.7 tp -76.62 -46.43 26.03 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.571 -0.705 . . . . 0.0 110.029 -179.492 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.693 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 16.3 t80 -64.6 -48.38 75.14 Favored 'General case' 0 N--CA 1.497 1.883 0 C-N-CA 117.641 -1.624 . . . . 0.0 107.167 177.629 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.3 mp -57.02 -43.38 81.8 Favored 'General case' 0 N--CA 1.497 1.877 0 O-C-N 120.299 -1.5 . . . . 0.0 109.897 -178.783 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.08 -45.35 62.8 Favored Glycine 0 N--CA 1.492 2.408 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.692 -179.067 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -88.7 -34.89 17.03 Favored 'General case' 0 N--CA 1.501 2.094 0 O-C-N 120.431 -1.629 . . . . 0.0 112.192 -179.201 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.693 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.1 -18.46 65.36 Favored 'General case' 0 N--CA 1.498 1.954 0 O-C-N 120.784 -1.197 . . . . 0.0 108.957 -179.94 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.69 -40.26 58.93 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 109.732 -1.347 . . . . 0.0 109.732 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.35 -31.41 63.74 Favored 'General case' 0 N--CA 1.489 1.507 0 O-C-N 121.407 -1.055 . . . . 0.0 109.762 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.37 -50.95 69.51 Favored 'General case' 0 N--CA 1.49 1.555 0 O-C-N 121.443 -0.786 . . . . 0.0 111.376 -178.065 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.8 93.68 Favored Glycine 0 N--CA 1.49 2.294 0 C-N-CA 119.87 -1.157 . . . . 0.0 111.333 -179.103 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 43.9 t -70.58 -24.17 62.71 Favored 'General case' 0 N--CA 1.493 1.679 0 CA-C-O 121.938 0.875 . . . . 0.0 112.364 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 67.3 m -88.88 -39.26 13.95 Favored 'General case' 0 N--CA 1.496 1.847 0 CA-C-O 121.535 0.683 . . . . 0.0 109.25 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 tpt -78.23 -33.89 49.55 Favored 'General case' 0 N--CA 1.493 1.712 0 O-C-N 121.643 -0.661 . . . . 0.0 110.085 -179.146 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.59 -41.16 44.68 Favored Glycine 0 N--CA 1.492 2.383 0 N-CA-C 109.709 -1.357 . . . . 0.0 109.709 -179.746 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.14 -27.43 63.56 Favored 'General case' 0 N--CA 1.491 1.59 0 O-C-N 121.252 -1.146 . . . . 0.0 109.508 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.27 -0.76 10.72 Favored 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.288 -0.882 . . . . 0.0 109.504 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.4 t -160.6 29.12 0.16 Allowed 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.385 -0.822 . . . . 0.0 109.313 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.518 ' N ' ' SD ' ' A' ' 25' ' ' MET . 1.8 mpt? 51.22 -179.85 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.494 -0.754 . . . . 0.0 110.105 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.0 p -83.79 115.52 22.27 Favored 'General case' 0 N--CA 1.496 1.871 0 O-C-N 121.269 -0.894 . . . . 0.0 109.523 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 HD12 ' N ' ' A' ' 28' ' ' THR . 0.3 OUTLIER -165.82 5.62 0.03 OUTLIER 'General case' 0 N--CA 1.494 1.743 0 O-C-N 121.244 -0.91 . . . . 0.0 109.183 179.818 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.458 ' N ' HD12 ' A' ' 27' ' ' LEU . 50.2 p -68.43 118.21 11.2 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.193 -0.942 . . . . 0.0 109.468 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.4 t -66.61 132.81 31.89 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.189 -0.944 . . . . 0.0 109.436 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 63.3 tp60 -60.13 -54.95 39.85 Favored 'General case' 0 N--CA 1.49 1.567 0 O-C-N 121.27 -0.894 . . . . 0.0 109.265 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.621 0 O-C-N 121.337 -0.852 . . . . 0.0 109.456 -179.985 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.412 -0.588 . . . . 0.0 109.412 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.0 t 64.73 -55.68 0.21 Allowed 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 CA-C-O 121.291 0.567 . . . . 0.0 109.844 -179.714 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.493 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 170.84 143.45 3.98 Favored Glycine 0 N--CA 1.488 2.105 0 O-C-N 121.257 -0.902 . . . . 0.0 110.941 179.232 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 13.9 tt -67.57 -17.79 22.98 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 N-CA-C 108.401 -0.963 . . . . 0.0 108.401 178.727 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.1 -25.71 2.72 Favored Glycine 0 N--CA 1.501 3.008 0 N-CA-C 108.885 -1.686 . . . . 0.0 108.885 179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.43 -32.05 72.85 Favored 'General case' 0 N--CA 1.492 1.673 0 O-C-N 121.97 -0.724 . . . . 0.0 111.23 -179.569 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 13.7 mt -76.72 -45.02 30.98 Favored 'General case' 0 N--CA 1.495 1.815 0 O-C-N 121.286 -0.884 . . . . 0.0 110.45 -179.513 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.668 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 24.9 t80 -63.25 -46.87 84.91 Favored 'General case' 0 N--CA 1.498 1.927 0 C-N-CA 117.738 -1.585 . . . . 0.0 106.952 177.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.44 -43.66 84.09 Favored 'General case' 0 N--CA 1.494 1.741 0 O-C-N 120.459 -1.4 . . . . 0.0 110.325 -178.637 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.53 -45.72 66.68 Favored Glycine 0 N--CA 1.492 2.391 0 C-N-CA 120.228 -0.986 . . . . 0.0 111.226 -178.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 75.7 m-85 -87.66 -34.46 18.44 Favored 'General case' 0 N--CA 1.502 2.16 0 O-C-N 120.273 -1.721 . . . . 0.0 112.417 -178.698 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.668 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.69 -19.33 63.77 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.723 -1.236 . . . . 0.0 108.551 179.807 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.42 -1.72 90.21 Favored Glycine 0 N--CA 1.496 2.654 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 179.803 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.34 -39.28 13.55 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-O 122.309 1.052 . . . . 0.0 108.535 177.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.19 -47.93 82.3 Favored 'General case' 0 N--CA 1.492 1.633 0 CA-C-N 115.272 -0.876 . . . . 0.0 111.115 -177.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.4 -39.37 94.15 Favored Glycine 0 N--CA 1.49 2.269 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.089 -179.271 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 30.8 t -71.14 -24.0 62.19 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.848 0.832 . . . . 0.0 112.519 -177.339 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . 0.411 ' C ' ' H ' ' A' ' 21' ' ' GLY . 41.3 m -89.01 -39.7 13.51 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-O 121.628 0.727 . . . . 0.0 109.236 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 38.3 mtt -77.59 28.18 0.16 Allowed 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.587 -0.695 . . . . 0.0 109.851 -179.251 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . 0.411 ' H ' ' C ' ' A' ' 19' ' ' THR . . . -51.52 -37.46 41.02 Favored Glycine 0 N--CA 1.494 2.539 0 N-CA-C 110.127 -1.189 . . . . 0.0 110.127 -179.736 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.446 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.6 -69.3 0.39 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.257 -1.143 . . . . 0.0 109.182 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.0 36.57 0.08 Allowed 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.231 -0.918 . . . . 0.0 109.74 179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.446 ' H ' ' C ' ' A' ' 22' ' ' ALA . 54.9 p -78.43 -57.43 3.78 Favored 'General case' 0 N--CA 1.493 1.716 0 O-C-N 121.218 -0.927 . . . . 0.0 109.558 -179.824 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 36.7 mtt 50.39 71.77 0.39 Allowed 'General case' 0 N--CA 1.495 1.792 0 O-C-N 121.439 -0.788 . . . . 0.0 109.975 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.405 HG22 ' H ' ' A' ' 26' ' ' THR . 0.0 OUTLIER -57.4 121.34 9.99 Favored 'General case' 0 N--CA 1.491 1.62 0 O-C-N 121.261 -0.899 . . . . 0.0 109.586 -179.743 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 19.9 mt -70.71 -58.18 3.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.161 -0.962 . . . . 0.0 109.201 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.463 ' OG1' ' N ' ' A' ' 29' ' ' VAL . 7.0 t -169.77 -149.23 0.07 Allowed 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.294 -0.879 . . . . 0.0 109.433 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.463 ' N ' ' OG1' ' A' ' 28' ' ' THR . 28.1 m -66.69 141.12 18.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.199 -0.938 . . . . 0.0 109.548 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.1 tp-100 -67.29 -52.66 37.91 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.205 -0.934 . . . . 0.0 109.246 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.535 0 O-C-N 121.22 -0.925 . . . . 0.0 109.416 179.933 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.493 1.691 0 CA-C-O 121.404 0.621 . . . . 0.0 109.367 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 4.7 t 55.81 55.04 0.33 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.664 0 CA-C-O 121.624 0.726 . . . . 0.0 110.01 179.69 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.66 42.49 0.05 OUTLIER Glycine 0 N--CA 1.494 2.55 0 C-N-CA 120.144 -1.027 . . . . 0.0 112.025 178.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.2 pt -67.62 -28.66 42.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.575 0 O-C-N 120.753 -1.44 . . . . 0.0 108.583 179.037 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.36 -29.48 16.65 Favored Glycine 0 N--CA 1.501 2.985 0 N-CA-C 108.42 -1.872 . . . . 0.0 108.42 179.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.9 -30.88 71.88 Favored 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.906 -0.761 . . . . 0.0 110.962 -179.582 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 23.2 mt -76.58 -45.93 28.34 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.458 -0.777 . . . . 0.0 110.502 -179.413 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.691 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 15.7 t80 -64.12 -46.54 83.69 Favored 'General case' 0 N--CA 1.496 1.855 0 C-N-CA 117.702 -1.599 . . . . 0.0 107.083 177.716 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -56.7 -43.85 80.94 Favored 'General case' 0 N--CA 1.496 1.863 0 O-C-N 120.404 -1.435 . . . . 0.0 110.256 -178.626 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.22 -45.25 64.36 Favored Glycine 0 N--CA 1.492 2.394 0 C-N-CA 120.143 -1.027 . . . . 0.0 111.039 -178.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.1 t80 -88.68 -34.83 17.07 Favored 'General case' 0 N--CA 1.503 2.192 0 O-C-N 120.488 -1.595 . . . . 0.0 112.227 -179.067 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.691 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.79 -18.62 65.46 Favored 'General case' 0 N--CA 1.498 1.925 0 O-C-N 120.802 -1.186 . . . . 0.0 108.963 -179.92 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -71.85 -39.91 58.7 Favored Glycine 0 N--CA 1.493 2.455 0 N-CA-C 109.909 -1.277 . . . . 0.0 109.909 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.85 -31.59 64.93 Favored 'General case' 0 N--CA 1.49 1.542 0 O-C-N 121.343 -1.093 . . . . 0.0 109.962 -179.245 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.23 -51.02 69.44 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.389 -0.82 . . . . 0.0 111.363 -177.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.38 -39.59 94.25 Favored Glycine 0 N--CA 1.491 2.311 0 C-N-CA 119.848 -1.167 . . . . 0.0 111.301 -178.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 51.1 m -70.69 -23.88 62.56 Favored 'General case' 0 N--CA 1.491 1.583 0 CA-C-O 122.016 0.912 . . . . 0.0 112.423 -177.244 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.3 m -89.01 -39.63 13.55 Favored 'General case' 0 N--CA 1.496 1.849 0 CA-C-O 121.495 0.664 . . . . 0.0 109.239 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 19.5 mmt -78.21 -10.26 59.57 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.565 -0.71 . . . . 0.0 110.167 -179.192 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -60.18 -22.53 58.39 Favored Glycine 0 N--CA 1.49 2.284 0 N-CA-C 109.767 -1.333 . . . . 0.0 109.767 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.63 -13.5 61.78 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 121.266 -1.138 . . . . 0.0 109.477 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.39 -12.46 61.43 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.255 -0.903 . . . . 0.0 109.632 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 74.0 m -161.09 16.93 0.11 Allowed 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.349 -0.844 . . . . 0.0 109.125 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.2 ttm 51.14 67.33 0.96 Allowed 'General case' 0 N--CA 1.494 1.736 0 O-C-N 121.396 -0.815 . . . . 0.0 109.918 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 40.2 p -71.27 127.64 33.24 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.197 -0.94 . . . . 0.0 109.502 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.498 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.5 mp -66.26 -59.66 3.52 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.307 -0.87 . . . . 0.0 108.799 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 41.4 m -164.92 -70.54 0.04 OUTLIER 'General case' 0 N--CA 1.494 1.737 0 O-C-N 121.328 -0.858 . . . . 0.0 109.312 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.83 165.48 1.89 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.232 -0.918 . . . . 0.0 109.499 -179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.0 pt20 -170.87 155.43 4.62 Favored 'General case' 0 N--CA 1.492 1.661 0 O-C-N 121.327 -0.858 . . . . 0.0 109.395 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.503 0 O-C-N 121.258 -0.901 . . . . 0.0 109.506 -179.993 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.522 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 20.3 t 55.59 -87.0 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.573 0 O-C-N 121.564 -0.71 . . . . 0.0 109.145 -179.643 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 170.77 -91.2 0.09 OUTLIER Glycine 0 N--CA 1.493 2.464 0 O-C-N 120.977 -1.077 . . . . 0.0 111.511 178.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 11.7 mm -67.05 -26.4 36.57 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.629 0 O-C-N 121.512 -0.993 . . . . 0.0 109.234 -179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.07 -29.45 14.84 Favored Glycine 0 N--CA 1.501 3.007 0 N-CA-C 108.165 -1.974 . . . . 0.0 108.165 179.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.65 -30.81 71.87 Favored 'General case' 0 N--CA 1.492 1.653 0 O-C-N 122.178 -0.601 . . . . 0.0 111.349 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.416 HD12 ' N ' ' A' ' 8' ' ' LEU . 10.2 mp -76.69 -46.14 26.78 Favored 'General case' 0 N--CA 1.497 1.881 0 O-C-N 121.232 -0.918 . . . . 0.0 110.278 -179.225 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -64.21 -46.29 84.53 Favored 'General case' 0 N--CA 1.497 1.917 0 C-N-CA 117.396 -1.722 . . . . 0.0 107.087 177.532 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -55.73 -44.05 77.16 Favored 'General case' 0 N--CA 1.494 1.771 0 O-C-N 120.251 -1.531 . . . . 0.0 110.126 -178.781 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.51 -46.54 65.16 Favored Glycine 0 N--CA 1.489 2.212 0 O-C-N 121.23 -0.919 . . . . 0.0 111.543 -178.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -89.02 -35.92 16.1 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 120.333 -1.686 . . . . 0.0 112.502 -178.579 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.16 -14.83 61.54 Favored 'General case' 0 N--CA 1.497 1.876 0 O-C-N 120.688 -1.258 . . . . 0.0 108.9 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.93 -39.89 37.18 Favored Glycine 0 N--CA 1.494 2.505 0 N-CA-C 109.859 -1.297 . . . . 0.0 109.859 -179.753 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.88 -31.76 65.16 Favored 'General case' 0 N--CA 1.491 1.606 0 O-C-N 121.311 -1.111 . . . . 0.0 110.085 -179.039 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.06 -50.19 72.99 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.466 -0.771 . . . . 0.0 111.347 -177.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.48 -39.08 93.93 Favored Glycine 0 N--CA 1.49 2.252 0 C-N-CA 119.865 -1.16 . . . . 0.0 111.332 -179.009 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 44.3 t -70.97 -23.91 62.3 Favored 'General case' 0 N--CA 1.492 1.669 0 CA-C-O 121.978 0.895 . . . . 0.0 112.568 -177.235 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 49.2 m -88.66 -39.15 14.24 Favored 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.593 0.711 . . . . 0.0 109.411 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.5 mmt -77.26 -14.0 59.83 Favored 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.56 -0.712 . . . . 0.0 110.006 -179.16 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -82.51 10.73 54.51 Favored Glycine 0 N--CA 1.497 2.718 0 N-CA-C 109.462 -1.455 . . . . 0.0 109.462 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.66 -31.21 66.58 Favored 'General case' 0 N--CA 1.493 1.691 0 O-C-N 121.184 -1.186 . . . . 0.0 109.66 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.6 -84.35 0.03 OUTLIER 'General case' 0 N--CA 1.491 1.622 0 O-C-N 121.122 -0.986 . . . . 0.0 109.402 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 14.2 t -159.86 12.67 0.13 Allowed 'General case' 0 N--CA 1.494 1.75 0 N-CA-C 108.521 -0.918 . . . . 0.0 108.521 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 12.6 tpt 53.13 69.8 0.66 Allowed 'General case' 0 N--CA 1.494 1.746 0 O-C-N 121.603 -0.685 . . . . 0.0 109.695 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.5 t -172.06 -2.19 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.146 -0.971 . . . . 0.0 109.477 -179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 29' ' ' VAL . 19.8 tp -59.84 -48.79 80.28 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.271 -0.893 . . . . 0.0 108.985 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 44.6 p -68.34 67.01 0.12 Allowed 'General case' 0 N--CA 1.489 1.517 0 O-C-N 121.204 -0.935 . . . . 0.0 109.498 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' N ' ' O ' ' A' ' 27' ' ' LEU . 30.5 m -61.52 -4.32 0.86 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.529 0 O-C-N 121.304 -0.872 . . . . 0.0 109.523 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.5 mm100 -66.33 136.87 56.41 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.302 -0.874 . . . . 0.0 109.429 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.505 0 O-C-N 121.174 -0.954 . . . . 0.0 109.492 -179.979 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.484 -0.562 . . . . 0.0 109.484 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.0 t 60.02 123.68 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 CA-C-O 121.963 0.887 . . . . 0.0 110.335 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.12 146.31 5.4 Favored Glycine 0 N--CA 1.487 2.045 0 N-CA-C 110.871 -0.892 . . . . 0.0 110.871 178.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.8 mm -67.86 -15.82 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.557 0 N-CA-C 108.2 -1.037 . . . . 0.0 108.2 178.621 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -48.88 -28.01 6.95 Favored Glycine 0 N--CA 1.501 3.03 0 N-CA-C 108.202 -1.959 . . . . 0.0 108.202 179.328 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.82 -29.89 71.07 Favored 'General case' 0 N--CA 1.49 1.537 0 O-C-N 121.983 -0.716 . . . . 0.0 110.618 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.1 tp -77.05 -46.8 22.47 Favored 'General case' 0 N--CA 1.493 1.693 0 O-C-N 121.392 -0.818 . . . . 0.0 110.196 -179.312 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 19.7 t80 -63.77 -47.27 81.66 Favored 'General case' 0 N--CA 1.498 1.942 0 C-N-CA 117.664 -1.615 . . . . 0.0 107.212 177.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 mt -57.57 -43.23 84.39 Favored 'General case' 0 N--CA 1.494 1.77 0 O-C-N 120.361 -1.462 . . . . 0.0 110.622 -178.642 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.65 -45.47 68.26 Favored Glycine 0 N--CA 1.491 2.353 0 C-N-CA 120.221 -0.99 . . . . 0.0 111.03 -178.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.8 t80 -88.38 -35.08 17.34 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 120.316 -1.697 . . . . 0.0 112.363 -178.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.15 -16.77 63.87 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.693 -1.254 . . . . 0.0 108.803 -179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.33 -40.64 48.35 Favored Glycine 0 N--CA 1.493 2.465 0 N-CA-C 110.218 -1.153 . . . . 0.0 110.218 -179.709 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.53 -32.31 64.97 Favored 'General case' 0 N--CA 1.491 1.58 0 O-C-N 121.303 -1.116 . . . . 0.0 109.903 -179.246 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.92 -50.11 73.48 Favored 'General case' 0 N--CA 1.49 1.572 0 O-C-N 121.609 -0.682 . . . . 0.0 111.157 -177.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.28 -39.31 94.33 Favored Glycine 0 N--CA 1.491 2.326 0 C-N-CA 119.77 -1.205 . . . . 0.0 111.172 -179.118 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 31.0 t -71.17 -23.96 62.15 Favored 'General case' 0 N--CA 1.491 1.59 0 CA-C-O 121.894 0.854 . . . . 0.0 112.585 -177.294 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 39.7 m -89.07 -39.59 13.54 Favored 'General case' 0 N--CA 1.496 1.833 0 CA-C-O 121.658 0.742 . . . . 0.0 109.386 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 64.9 mtt -77.54 10.53 2.56 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.61 -0.682 . . . . 0.0 109.985 -179.178 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -74.92 -25.55 69.04 Favored Glycine 0 N--CA 1.493 2.483 0 N-CA-C 109.618 -1.393 . . . . 0.0 109.618 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -70.58 -41.1 72.83 Favored 'General case' 0 N--CA 1.492 1.634 0 O-C-N 121.232 -1.158 . . . . 0.0 109.451 -179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.92 10.18 0.77 Allowed 'General case' 0 N--CA 1.492 1.635 0 O-C-N 121.211 -0.931 . . . . 0.0 109.554 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 22' ' ' ALA . 28.9 t -159.84 42.68 0.21 Allowed 'General case' 0 N--CA 1.494 1.773 0 O-C-N 121.336 -0.853 . . . . 0.0 109.355 -179.956 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 66.6 mtt 50.43 -97.15 0.05 OUTLIER 'General case' 0 N--CA 1.496 1.858 0 O-C-N 121.31 -0.869 . . . . 0.0 110.105 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 17.9 m -165.16 65.29 0.12 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.127 -0.983 . . . . 0.0 109.248 179.864 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.3 mt -75.1 -164.59 0.32 Allowed 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.157 -0.964 . . . . 0.0 109.307 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -172.34 144.47 1.55 Allowed 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.307 -0.871 . . . . 0.0 109.503 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.5 m -66.77 -169.8 0.04 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.559 0 O-C-N 121.239 -0.913 . . . . 0.0 109.467 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 8.1 tt0 -168.73 -58.46 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.626 0 O-C-N 121.346 -0.846 . . . . 0.0 109.261 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.482 0 O-C-N 121.2 -0.937 . . . . 0.0 109.495 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.591 0 N-CA-C 109.454 -0.573 . . . . 0.0 109.454 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.7 t 58.01 112.45 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.589 0 CA-C-O 121.817 0.818 . . . . 0.0 110.283 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.19 -46.61 0.15 Allowed Glycine 0 N--CA 1.492 2.418 0 N-CA-C 111.115 -0.794 . . . . 0.0 111.115 178.691 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 20.0 mm -66.76 -32.57 58.59 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.477 0 O-C-N 120.724 -1.456 . . . . 0.0 109.769 -179.337 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -54.17 -34.27 52.96 Favored Glycine 0 N--CA 1.497 2.758 0 N-CA-C 108.176 -1.97 . . . . 0.0 108.176 178.072 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.57 -30.4 71.52 Favored 'General case' 0 N--CA 1.494 1.766 0 O-C-N 121.869 -0.783 . . . . 0.0 110.92 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.479 HD12 ' N ' ' A' ' 8' ' ' LEU . 8.3 mp -77.09 -47.81 19.48 Favored 'General case' 0 N--CA 1.493 1.723 0 O-C-N 121.366 -0.834 . . . . 0.0 109.938 -179.251 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' A' ' 13' ' ' LEU . 12.5 t80 -64.2 -46.61 83.16 Favored 'General case' 0 N--CA 1.495 1.81 0 C-N-CA 117.576 -1.65 . . . . 0.0 106.817 177.738 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.0 tp -56.75 -43.52 80.82 Favored 'General case' 0 N--CA 1.495 1.807 0 O-C-N 120.34 -1.475 . . . . 0.0 109.909 -179.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.39 -45.07 66.27 Favored Glycine 0 N--CA 1.491 2.343 0 C-N-CA 120.14 -1.028 . . . . 0.0 110.713 -179.048 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.1 t80 -88.97 -35.04 16.64 Favored 'General case' 0 N--CA 1.501 2.104 0 O-C-N 120.485 -1.597 . . . . 0.0 112.058 -179.185 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.653 HD23 ' CE2' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.15 -19.14 65.75 Favored 'General case' 0 N--CA 1.496 1.839 0 O-C-N 120.69 -1.256 . . . . 0.0 108.82 -179.936 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.47 -40.45 54.4 Favored Glycine 0 N--CA 1.493 2.451 0 N-CA-C 109.591 -1.404 . . . . 0.0 109.591 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.08 -31.56 63.33 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.413 -1.051 . . . . 0.0 109.609 -179.314 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.96 -50.12 73.37 Favored 'General case' 0 N--CA 1.489 1.485 0 O-C-N 121.378 -0.826 . . . . 0.0 111.214 -178.097 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.23 -39.6 92.25 Favored Glycine 0 N--CA 1.49 2.244 0 C-N-CA 119.827 -1.177 . . . . 0.0 111.534 -179.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 80.3 p -70.74 -24.58 62.65 Favored 'General case' 0 N--CA 1.492 1.631 0 CA-C-O 121.923 0.868 . . . . 0.0 112.533 -177.124 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.7 p -88.86 -38.75 14.34 Favored 'General case' 0 N--CA 1.495 1.798 0 N-CA-C 108.843 -0.799 . . . . 0.0 108.843 179.737 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 1.3 tmt? -77.98 -33.33 51.42 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.448 -0.782 . . . . 0.0 109.877 -179.282 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -73.12 5.66 18.17 Favored Glycine 0 N--CA 1.492 2.41 0 N-CA-C 109.702 -1.359 . . . . 0.0 109.702 -179.73 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.03 -38.37 72.58 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.156 -1.202 . . . . 0.0 109.312 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.42 18.39 0.12 Allowed 'General case' 0 N--CA 1.494 1.768 0 O-C-N 121.326 -0.859 . . . . 0.0 109.816 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 22' ' ' ALA . 67.9 m -159.13 53.02 0.39 Allowed 'General case' 0 N--CA 1.495 1.796 0 O-C-N 121.236 -0.915 . . . . 0.0 109.289 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 19.9 ttt 56.44 -123.1 1.78 Allowed 'General case' 0 N--CA 1.493 1.715 0 O-C-N 121.323 -0.86 . . . . 0.0 109.343 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -173.84 64.76 0.02 OUTLIER 'General case' 0 N--CA 1.49 1.559 0 O-C-N 120.931 -1.105 . . . . 0.0 109.535 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.1 mt -66.64 152.12 46.01 Favored 'General case' 0 N--CA 1.491 1.621 0 O-C-N 121.186 -0.946 . . . . 0.0 109.298 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 75.1 p -59.36 165.98 2.5 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.305 -0.872 . . . . 0.0 109.436 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.6 t -63.79 128.23 25.67 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 O-C-N 121.206 -0.934 . . . . 0.0 109.406 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.606 ' H ' ' NE2' ' A' ' 30' ' ' GLN . 3.8 mp0 -65.04 -81.51 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.533 0 O-C-N 121.255 -0.903 . . . . 0.0 109.28 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.587 0 O-C-N 121.181 -0.949 . . . . 0.0 109.488 179.919 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.58 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.503 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.1 t 63.2 -23.25 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.501 2.102 0 O-C-N 121.718 -0.614 . . . . 0.0 110.844 -179.725 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.58 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 173.09 173.68 39.65 Favored Glycine 0 N--CA 1.486 1.977 0 O-C-N 120.959 -1.088 . . . . 0.0 111.087 178.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 12.0 mt -68.36 -13.85 17.61 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.574 0 N-CA-C 108.431 -0.951 . . . . 0.0 108.431 179.203 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.65 -25.36 2.15 Favored Glycine 0 N--CA 1.504 3.182 0 N-CA-C 108.825 -1.71 . . . . 0.0 108.825 179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.86 -31.25 72.25 Favored 'General case' 0 N--CA 1.491 1.6 0 O-C-N 122.048 -0.677 . . . . 0.0 111.258 -179.565 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 14.2 mt -76.96 -45.42 27.68 Favored 'General case' 0 N--CA 1.496 1.841 0 O-C-N 121.264 -0.898 . . . . 0.0 110.739 -179.363 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.674 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 20.2 t80 -63.35 -46.48 86.39 Favored 'General case' 0 N--CA 1.498 1.937 0 C-N-CA 117.563 -1.655 . . . . 0.0 107.034 178.01 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.6 tp -57.46 -43.53 84.06 Favored 'General case' 0 N--CA 1.493 1.683 0 O-C-N 120.512 -1.367 . . . . 0.0 110.318 -178.651 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.56 -46.04 66.43 Favored Glycine 0 N--CA 1.491 2.321 0 C-N-CA 120.302 -0.951 . . . . 0.0 111.289 -178.881 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 73.7 m-85 -88.04 -35.21 17.68 Favored 'General case' 0 N--CA 1.503 2.22 0 O-C-N 120.299 -1.706 . . . . 0.0 112.48 -178.618 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.674 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.08 -16.26 63.27 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 120.753 -1.217 . . . . 0.0 108.849 -179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.04 -41.13 41.1 Favored Glycine 0 N--CA 1.494 2.507 0 O-C-N 120.922 -1.111 . . . . 0.0 110.414 -179.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.37 -32.66 64.97 Favored 'General case' 0 N--CA 1.492 1.664 0 O-C-N 121.277 -1.131 . . . . 0.0 109.91 -179.166 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.09 -49.03 78.99 Favored 'General case' 0 N--CA 1.49 1.557 0 O-C-N 121.392 -0.818 . . . . 0.0 111.004 -178.018 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.89 -38.99 93.3 Favored Glycine 0 N--CA 1.491 2.327 0 C-N-CA 119.702 -1.237 . . . . 0.0 111.41 -179.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 93.9 p -71.19 -24.3 62.2 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-O 121.844 0.83 . . . . 0.0 112.909 -177.185 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.4 p -89.03 -39.22 13.83 Favored 'General case' 0 N--CA 1.496 1.873 0 CA-C-O 121.637 0.732 . . . . 0.0 109.172 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 72.2 mmm -77.15 15.28 0.74 Allowed 'General case' 0 N--CA 1.492 1.637 0 O-C-N 121.494 -0.754 . . . . 0.0 109.957 -179.192 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -71.05 -4.53 55.91 Favored Glycine 0 N--CA 1.491 2.346 0 N-CA-C 109.398 -1.481 . . . . 0.0 109.398 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.41 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.57 -28.52 63.89 Favored 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.15 -1.206 . . . . 0.0 109.53 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.65 5.33 1.92 Allowed 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.249 -0.907 . . . . 0.0 109.388 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.41 ' H ' ' C ' ' A' ' 22' ' ' ALA . 31.0 t -79.62 47.08 0.81 Allowed 'General case' 0 N--CA 1.493 1.699 0 O-C-N 121.391 -0.818 . . . . 0.0 109.405 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 30.6 mtt 52.14 -179.19 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.814 0 O-C-N 121.382 -0.824 . . . . 0.0 109.937 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 56.0 p -67.97 -90.33 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.603 0 O-C-N 121.233 -0.917 . . . . 0.0 109.503 -179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.5 tp -66.63 114.9 5.92 Favored 'General case' 0 N--CA 1.488 1.45 0 O-C-N 121.268 -0.895 . . . . 0.0 109.137 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 43.6 p -67.98 137.05 54.82 Favored 'General case' 0 N--CA 1.49 1.543 0 O-C-N 121.152 -0.967 . . . . 0.0 109.474 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.7 m -66.79 158.9 4.97 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.525 0 O-C-N 121.22 -0.925 . . . . 0.0 109.519 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 96.0 mm-40 -64.1 144.38 57.15 Favored 'General case' 0 N--CA 1.489 1.505 0 O-C-N 121.239 -0.913 . . . . 0.0 109.447 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.601 0 O-C-N 121.309 -0.87 . . . . 0.0 109.46 -179.949 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.612 0 N-CA-C 109.49 -0.559 . . . . 0.0 109.49 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 5.8 t 60.58 -5.12 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 1.976 0 O-C-N 121.65 -0.656 . . . . 0.0 110.097 -179.746 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 170.43 140.48 3.01 Favored Glycine 0 N--CA 1.488 2.124 0 O-C-N 121.028 -1.045 . . . . 0.0 110.938 179.15 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.7 pt -68.07 -14.22 18.03 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.583 0 N-CA-C 108.324 -0.991 . . . . 0.0 108.324 178.43 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.28 -26.35 3.3 Favored Glycine 0 N--CA 1.502 3.095 0 N-CA-C 108.544 -1.823 . . . . 0.0 108.544 179.595 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.12 -30.15 71.36 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 122.024 -0.692 . . . . 0.0 110.752 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.8 mt -76.78 -46.58 24.53 Favored 'General case' 0 N--CA 1.494 1.757 0 O-C-N 121.442 -0.786 . . . . 0.0 110.591 -179.404 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 93.8 m-85 -64.47 -45.68 86.35 Favored 'General case' 0 N--CA 1.498 1.945 0 C-N-CA 117.473 -1.691 . . . . 0.0 107.214 177.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.7 tp -54.55 -44.15 72.61 Favored 'General case' 0 N--CA 1.496 1.861 0 O-C-N 120.269 -1.519 . . . . 0.0 110.221 -178.581 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -51.97 -46.3 55.66 Favored Glycine 0 N--CA 1.491 2.341 0 O-C-N 121.051 -1.031 . . . . 0.0 111.064 -179.227 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 95.7 m-85 -89.8 -35.08 15.9 Favored 'General case' 0 N--CA 1.502 2.144 0 O-C-N 120.562 -1.552 . . . . 0.0 112.055 -179.325 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.448 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -64.75 -22.05 66.9 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.736 -1.227 . . . . 0.0 108.54 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.04 -39.93 52.59 Favored Glycine 0 N--CA 1.492 2.386 0 N-CA-C 110.102 -1.199 . . . . 0.0 110.102 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.63 -32.17 65.05 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.357 -1.084 . . . . 0.0 110.116 -179.222 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.37 -49.41 77.02 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.349 -0.844 . . . . 0.0 111.142 -177.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.87 -39.12 93.36 Favored Glycine 0 N--CA 1.489 2.21 0 C-N-CA 119.822 -1.18 . . . . 0.0 111.5 -179.101 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.8 m -71.11 -24.19 62.24 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.8 0.809 . . . . 0.0 112.824 -177.173 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.3 p -89.01 -38.9 14.06 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 109.166 -0.679 . . . . 0.0 109.166 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 28.3 ttt -77.03 -13.81 59.91 Favored 'General case' 0 N--CA 1.493 1.689 0 O-C-N 121.445 -0.784 . . . . 0.0 110.0 -179.185 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.41 -21.85 77.56 Favored Glycine 0 N--CA 1.492 2.393 0 N-CA-C 109.439 -1.464 . . . . 0.0 109.439 179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -72.26 -52.03 18.22 Favored 'General case' 0 N--CA 1.492 1.67 0 O-C-N 121.175 -1.191 . . . . 0.0 109.644 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.98 -0.99 10.54 Favored 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.322 -0.861 . . . . 0.0 109.709 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.4 m -79.96 38.59 0.4 Allowed 'General case' 0 N--CA 1.495 1.798 0 O-C-N 121.351 -0.843 . . . . 0.0 109.446 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 72.2 mtp 50.58 -176.41 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.806 0 O-C-N 121.393 -0.817 . . . . 0.0 110.137 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 61.4 p -68.33 -167.21 0.08 Allowed 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.288 -0.882 . . . . 0.0 109.465 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.1 mt -68.02 94.97 0.52 Allowed 'General case' 0 N--CA 1.492 1.656 0 O-C-N 121.24 -0.913 . . . . 0.0 109.388 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 39.1 m -60.67 -68.09 0.34 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.248 -0.907 . . . . 0.0 109.415 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 22.6 t 52.69 82.0 0.05 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.745 0 O-C-N 121.373 -0.829 . . . . 0.0 109.987 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 20.3 tt0 -168.95 76.03 0.1 Allowed 'General case' 0 N--CA 1.492 1.65 0 O-C-N 121.237 -0.914 . . . . 0.0 109.347 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.608 0 O-C-N 121.256 -0.903 . . . . 0.0 109.426 -179.999 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.369 -0.604 . . . . 0.0 109.369 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 88.3 t 52.55 -91.63 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.493 1.695 0 O-C-N 121.323 -0.86 . . . . 0.0 108.998 -179.621 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.467 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . 171.78 20.19 0.02 OUTLIER Glycine 0 N--CA 1.492 2.381 0 O-C-N 121.131 -0.981 . . . . 0.0 112.357 178.718 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 93.1 mt -67.41 -35.02 72.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.611 0 O-C-N 120.213 -1.757 . . . . 0.0 109.642 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.04 -34.75 58.46 Favored Glycine 0 N--CA 1.497 2.736 0 N-CA-C 108.236 -1.945 . . . . 0.0 108.236 178.272 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.24 -30.14 71.34 Favored 'General case' 0 N--CA 1.495 1.782 0 O-C-N 121.721 -0.87 . . . . 0.0 110.713 -179.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.2 tp -76.41 -47.58 22.67 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.434 -0.791 . . . . 0.0 110.083 -179.068 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 79.2 m-85 -65.63 -46.26 79.92 Favored 'General case' 0 N--CA 1.496 1.856 0 C-N-CA 117.354 -1.738 . . . . 0.0 106.9 177.189 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.1 tp -55.28 -44.08 75.33 Favored 'General case' 0 N--CA 1.496 1.834 0 O-C-N 119.97 -1.706 . . . . 0.0 109.754 -179.298 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.37 -45.28 65.76 Favored Glycine 0 N--CA 1.49 2.274 0 C-N-CA 120.334 -0.936 . . . . 0.0 110.877 -179.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 50.4 t80 -89.64 -35.82 15.62 Favored 'General case' 0 N--CA 1.503 2.21 0 O-C-N 120.449 -1.618 . . . . 0.0 112.065 -179.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -66.0 -17.33 64.61 Favored 'General case' 0 N--CA 1.496 1.869 0 O-C-N 120.739 -1.226 . . . . 0.0 108.801 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.61 -40.3 38.7 Favored Glycine 0 N--CA 1.492 2.379 0 N-CA-C 109.461 -1.456 . . . . 0.0 109.461 179.872 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.81 -31.16 62.42 Favored 'General case' 0 N--CA 1.489 1.497 0 O-C-N 121.335 -1.097 . . . . 0.0 109.644 -179.443 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.04 -50.13 73.24 Favored 'General case' 0 N--CA 1.488 1.449 0 O-C-N 121.489 -0.757 . . . . 0.0 111.174 -178.187 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.22 -39.69 92.32 Favored Glycine 0 N--CA 1.49 2.275 0 O-C-N 120.835 -1.165 . . . . 0.0 111.564 -179.093 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.5 t -70.66 -24.45 62.7 Favored 'General case' 0 N--CA 1.492 1.654 0 CA-C-O 121.935 0.874 . . . . 0.0 112.471 -177.079 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 14.5 p -89.07 -38.94 13.99 Favored 'General case' 0 N--CA 1.496 1.861 0 N-CA-C 108.846 -0.798 . . . . 0.0 108.846 179.833 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 48.9 ttp -78.46 -33.8 48.11 Favored 'General case' 0 N--CA 1.493 1.713 0 O-C-N 121.538 -0.726 . . . . 0.0 110.178 -179.274 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.31 -25.18 75.04 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 109.825 -1.31 . . . . 0.0 109.825 -179.644 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.41 -52.78 16.7 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 121.24 -1.153 . . . . 0.0 109.61 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.37 -29.59 65.13 Favored 'General case' 0 N--CA 1.492 1.663 0 O-C-N 121.136 -0.977 . . . . 0.0 109.823 -179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 20.1 m -80.33 50.23 1.24 Allowed 'General case' 0 N--CA 1.495 1.8 0 O-C-N 121.252 -0.905 . . . . 0.0 109.604 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 38.3 mtt 52.16 -147.76 0.43 Allowed 'General case' 0 N--CA 1.495 1.786 0 O-C-N 121.233 -0.917 . . . . 0.0 110.01 179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 58.6 p -58.28 159.21 6.29 Favored 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.293 -0.88 . . . . 0.0 109.609 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.1 mp -69.46 126.81 30.9 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.278 -0.889 . . . . 0.0 108.977 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 49.3 p -68.58 79.26 0.28 Allowed 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.238 -0.914 . . . . 0.0 109.404 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.6 m -65.05 -5.2 2.25 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.553 0 O-C-N 121.207 -0.933 . . . . 0.0 109.663 179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 78.8 mm-40 -65.64 148.02 52.44 Favored 'General case' 0 N--CA 1.49 1.538 0 O-C-N 121.194 -0.941 . . . . 0.0 109.415 179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.559 0 O-C-N 121.261 -0.9 . . . . 0.0 109.414 179.944 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.483 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.2 t 63.54 -62.62 0.18 Allowed 'Isoleucine or valine' 0 N--CA 1.497 1.882 0 O-C-N 121.962 -0.461 . . . . 0.0 110.22 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.483 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -92.22 80.74 1.18 Allowed Glycine 0 N--CA 1.497 2.719 0 O-C-N 120.94 -1.1 . . . . 0.0 111.589 179.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 16.6 tt -67.52 -26.52 35.81 Favored 'Isoleucine or valine' 0 C--N 1.3 -1.562 0 O-C-N 121.066 -1.255 . . . . 0.0 107.985 178.395 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.89 -30.0 21.11 Favored Glycine 0 N--CA 1.5 2.939 0 N-CA-C 108.334 -1.906 . . . . 0.0 108.334 179.018 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -61.74 -30.26 70.66 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.774 -0.839 . . . . 0.0 110.471 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.43 HD23 ' O ' ' A' ' 8' ' ' LEU . 1.2 tt -77.0 -46.84 22.43 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.56 -0.712 . . . . 0.0 109.753 -179.59 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.686 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 18.0 t80 -63.98 -48.34 76.83 Favored 'General case' 0 N--CA 1.498 1.947 0 C-N-CA 117.757 -1.577 . . . . 0.0 107.288 177.607 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.2 mp -57.29 -43.04 82.83 Favored 'General case' 0 N--CA 1.497 1.924 0 O-C-N 120.209 -1.557 . . . . 0.0 109.908 -178.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.09 -45.4 62.89 Favored Glycine 0 N--CA 1.493 2.442 0 C-N-CA 120.132 -1.032 . . . . 0.0 110.806 -179.102 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -88.57 -34.79 17.23 Favored 'General case' 0 N--CA 1.502 2.146 0 O-C-N 120.494 -1.592 . . . . 0.0 112.238 -179.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.686 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.9 -18.09 65.1 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 120.748 -1.22 . . . . 0.0 109.024 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.23 -40.29 56.0 Favored Glycine 0 N--CA 1.492 2.376 0 N-CA-C 109.938 -1.265 . . . . 0.0 109.938 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.62 -31.51 64.39 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.347 -1.09 . . . . 0.0 109.862 -179.179 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.88 -50.25 72.98 Favored 'General case' 0 N--CA 1.49 1.535 0 O-C-N 121.388 -0.82 . . . . 0.0 111.389 -178.02 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.88 -39.38 93.38 Favored Glycine 0 N--CA 1.492 2.401 0 C-N-CA 119.845 -1.169 . . . . 0.0 111.56 -178.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.0 m -70.67 -24.2 62.64 Favored 'General case' 0 N--CA 1.493 1.696 0 CA-C-O 121.929 0.871 . . . . 0.0 112.648 -177.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 15.6 p -88.91 -38.97 14.12 Favored 'General case' 0 N--CA 1.496 1.855 0 CA-C-O 121.521 0.676 . . . . 0.0 109.218 179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 40.9 mtt -77.74 -31.26 52.07 Favored 'General case' 0 N--CA 1.492 1.658 0 O-C-N 121.53 -0.731 . . . . 0.0 110.243 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -70.04 -9.95 64.26 Favored Glycine 0 N--CA 1.492 2.375 0 N-CA-C 109.731 -1.348 . . . . 0.0 109.731 -179.818 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.36 -26.27 62.73 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.135 -1.214 . . . . 0.0 109.462 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.6 -49.69 37.89 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.285 -0.884 . . . . 0.0 109.725 -179.799 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 30.4 m -159.47 35.07 0.19 Allowed 'General case' 0 N--CA 1.494 1.732 0 O-C-N 121.409 -0.807 . . . . 0.0 108.955 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 46.2 mtt 53.19 -150.5 0.36 Allowed 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.515 -0.741 . . . . 0.0 109.923 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 68.2 p -63.87 119.86 10.82 Favored 'General case' 0 N--CA 1.489 1.492 0 O-C-N 121.173 -0.954 . . . . 0.0 109.548 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 mt -68.5 -167.68 0.1 Allowed 'General case' 0 N--CA 1.49 1.553 0 O-C-N 121.168 -0.958 . . . . 0.0 109.312 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.5 t -172.32 -1.6 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.285 -0.884 . . . . 0.0 109.441 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 34.2 t -58.98 147.11 8.1 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.509 0 O-C-N 121.13 -0.981 . . . . 0.0 109.471 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 13.6 pt20 -59.99 -166.42 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.284 -0.885 . . . . 0.0 109.414 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.64 0 O-C-N 121.344 -0.847 . . . . 0.0 109.429 -179.998 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.41 ' O ' ' O ' ' A' ' 3' ' ' VAL . . . . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.531 -0.544 . . . . 0.0 109.531 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . 0.414 HG12 ' H ' ' A' ' 5' ' ' ILE . 5.0 t 60.51 148.13 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.592 0 CA-C-O 121.558 0.694 . . . . 0.0 109.236 -179.694 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -86.53 -10.14 74.07 Favored Glycine 0 N--CA 1.497 2.762 0 O-C-N 120.924 -1.11 . . . . 0.0 112.23 -179.713 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.42 HG23 ' N ' ' A' ' 6' ' ' GLY . 18.0 tt -67.26 -40.23 84.53 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 O-C-N 120.174 -1.78 . . . . 0.0 111.284 -178.311 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.42 ' N ' HG23 ' A' ' 5' ' ' ILE . . . -58.55 -38.97 92.52 Favored Glycine 0 N--CA 1.494 2.555 0 N-CA-C 108.244 -1.942 . . . . 0.0 108.244 177.923 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.25 -30.52 71.17 Favored 'General case' 0 N--CA 1.495 1.804 0 O-C-N 121.696 -0.885 . . . . 0.0 110.52 -179.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.6 tp -76.42 -46.26 27.9 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.601 -0.687 . . . . 0.0 109.897 -179.359 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.69 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 17.8 t80 -64.42 -47.36 79.42 Favored 'General case' 0 N--CA 1.495 1.795 0 C-N-CA 117.695 -1.602 . . . . 0.0 106.953 177.644 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.3 mt -57.5 -43.26 84.07 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.331 -1.481 . . . . 0.0 110.247 -178.88 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -44.75 71.8 Favored Glycine 0 N--CA 1.492 2.387 0 C-N-CA 120.137 -1.03 . . . . 0.0 110.756 -178.977 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 59.2 t80 -88.51 -34.94 17.24 Favored 'General case' 0 N--CA 1.502 2.169 0 O-C-N 120.45 -1.618 . . . . 0.0 112.165 -179.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.69 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.06 -17.12 64.49 Favored 'General case' 0 N--CA 1.497 1.923 0 O-C-N 120.746 -1.221 . . . . 0.0 109.044 -179.959 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -73.08 -40.85 49.82 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.853 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.96 -31.44 62.98 Favored 'General case' 0 N--CA 1.491 1.619 0 O-C-N 121.327 -1.102 . . . . 0.0 109.693 -179.26 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.87 -49.82 74.71 Favored 'General case' 0 N--CA 1.49 1.531 0 O-C-N 121.436 -0.79 . . . . 0.0 111.25 -178.054 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.38 -39.41 91.64 Favored Glycine 0 N--CA 1.491 2.338 0 C-N-CA 119.806 -1.188 . . . . 0.0 111.569 -179.094 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 38.2 t -70.87 -24.61 62.53 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 121.974 0.892 . . . . 0.0 112.666 -176.991 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 16.5 p -88.91 -38.65 14.36 Favored 'General case' 0 N--CA 1.496 1.838 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 179.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 53.4 mtt -78.53 -7.91 58.01 Favored 'General case' 0 N--CA 1.493 1.696 0 O-C-N 121.51 -0.744 . . . . 0.0 110.214 -179.148 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -69.5 -59.29 5.8 Favored Glycine 0 N--CA 1.492 2.402 0 N-CA-C 109.85 -1.3 . . . . 0.0 109.85 -179.717 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.37 58.02 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.217 -1.167 . . . . 0.0 109.532 -179.76 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.22 -2.28 15.49 Favored 'General case' 0 N--CA 1.492 1.647 0 O-C-N 121.313 -0.867 . . . . 0.0 109.397 179.858 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' THR . 55.7 p -80.35 49.47 1.14 Allowed 'General case' 0 N--CA 1.495 1.811 0 O-C-N 121.387 -0.821 . . . . 0.0 109.405 -179.992 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.7 mtt 50.48 -91.76 0.02 OUTLIER 'General case' 0 N--CA 1.494 1.772 0 O-C-N 121.253 -0.904 . . . . 0.0 110.101 -179.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.454 ' N ' ' O ' ' A' ' 24' ' ' SER . 1.5 t -172.26 -2.32 0.01 OUTLIER 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.209 -0.932 . . . . 0.0 109.384 179.996 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' H ' ' H ' ' A' ' 26' ' ' THR . 1.4 tt -167.03 -63.1 0.03 OUTLIER 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.316 -0.865 . . . . 0.0 108.723 179.901 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 64.4 p -64.64 109.99 2.2 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.263 -0.898 . . . . 0.0 109.446 -179.986 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.1 m -66.42 -6.95 4.77 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.532 0 O-C-N 121.28 -0.888 . . . . 0.0 109.52 179.971 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 37.2 mt-30 -66.07 155.47 36.68 Favored 'General case' 0 N--CA 1.491 1.615 0 O-C-N 121.309 -0.87 . . . . 0.0 109.464 -179.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.584 0 O-C-N 121.314 -0.866 . . . . 0.0 109.4 179.974 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.494 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.546 0 N-CA-C 109.545 -0.539 . . . . 0.0 109.545 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 11.6 t 64.7 -49.79 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.498 1.949 0 CA-C-O 120.94 0.4 . . . . 0.0 110.572 179.916 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.494 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -89.95 18.01 49.99 Favored Glycine 0 N--CA 1.499 2.866 0 O-C-N 120.91 -1.119 . . . . 0.0 112.134 -179.823 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 92.7 mt -66.97 -34.99 73.58 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.585 0 O-C-N 120.201 -1.764 . . . . 0.0 109.74 -179.615 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -56.03 -34.95 62.71 Favored Glycine 0 N--CA 1.496 2.664 0 N-CA-C 108.473 -1.851 . . . . 0.0 108.473 178.364 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.57 -30.72 71.53 Favored 'General case' 0 N--CA 1.498 1.952 0 O-C-N 121.658 -0.907 . . . . 0.0 110.966 -179.464 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 29.2 mt -76.48 -45.58 30.47 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 121.529 -0.732 . . . . 0.0 110.417 -179.192 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.681 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 16.6 t80 -64.11 -46.86 82.3 Favored 'General case' 0 N--CA 1.496 1.864 0 C-N-CA 117.591 -1.644 . . . . 0.0 107.036 177.742 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.2 mt -57.21 -43.35 82.7 Favored 'General case' 0 N--CA 1.495 1.783 0 O-C-N 120.474 -1.392 . . . . 0.0 110.554 -178.803 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.47 -45.33 66.7 Favored Glycine 0 N--CA 1.493 2.439 0 C-N-CA 120.078 -1.058 . . . . 0.0 110.809 -178.858 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 78.6 m-85 -88.7 -34.64 17.12 Favored 'General case' 0 N--CA 1.502 2.157 0 O-C-N 120.443 -1.622 . . . . 0.0 112.166 -179.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.681 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -66.01 -18.11 65.13 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.734 -1.228 . . . . 0.0 108.97 179.945 . . . . . . . . 3 3 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.35 -40.5 54.92 Favored Glycine 0 N--CA 1.493 2.441 0 N-CA-C 109.783 -1.327 . . . . 0.0 109.783 -179.837 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.01 -31.06 62.74 Favored 'General case' 0 N--CA 1.49 1.544 0 O-C-N 121.338 -1.095 . . . . 0.0 109.708 -179.292 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.49 -50.68 70.46 Favored 'General case' 0 N--CA 1.489 1.509 0 O-C-N 121.551 -0.718 . . . . 0.0 111.435 -178.14 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.78 -39.79 93.64 Favored Glycine 0 N--CA 1.491 2.3 0 C-N-CA 119.875 -1.155 . . . . 0.0 111.42 -179.072 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.3 t -70.74 -24.14 62.57 Favored 'General case' 0 N--CA 1.492 1.642 0 CA-C-O 121.984 0.897 . . . . 0.0 112.453 -177.28 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 61.3 m -88.95 -39.47 13.72 Favored 'General case' 0 N--CA 1.496 1.872 0 CA-C-O 121.56 0.695 . . . . 0.0 109.192 179.914 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . 0.421 ' C ' ' H ' ' A' ' 22' ' ' ALA . 19.0 mmt -78.97 -31.41 44.96 Favored 'General case' 0 N--CA 1.492 1.668 0 O-C-N 121.493 -0.754 . . . . 0.0 110.288 -179.044 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.9 0.69 3.11 Favored Glycine 0 N--CA 1.491 2.334 0 N-CA-C 109.924 -1.271 . . . . 0.0 109.924 -179.576 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.27 -51.6 23.56 Favored 'General case' 0 N--CA 1.492 1.651 0 O-C-N 121.2 -1.177 . . . . 0.0 109.344 179.994 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -73.58 22.26 0.08 Allowed 'General case' 0 N--CA 1.494 1.77 0 O-C-N 121.283 -0.885 . . . . 0.0 110.07 -179.88 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 22' ' ' ALA . 46.0 t -159.86 37.94 0.19 Allowed 'General case' 0 N--CA 1.496 1.868 0 O-C-N 121.018 -1.052 . . . . 0.0 109.736 -179.927 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 41.2 mtt 52.11 178.56 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.35 -0.844 . . . . 0.0 110.178 179.658 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 55.2 p -74.39 -48.58 26.98 Favored 'General case' 0 N--CA 1.493 1.705 0 O-C-N 121.21 -0.931 . . . . 0.0 109.427 179.952 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.6 mt -66.08 104.1 1.08 Allowed 'General case' 0 N--CA 1.49 1.539 0 O-C-N 121.286 -0.884 . . . . 0.0 109.354 -179.862 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.7 t -67.59 163.23 21.71 Favored 'General case' 0 N--CA 1.49 1.575 0 O-C-N 121.267 -0.896 . . . . 0.0 109.39 -179.982 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 27.6 m -67.28 142.04 17.09 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.52 0 O-C-N 121.303 -0.873 . . . . 0.0 109.581 -179.923 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 16.2 tt0 -67.3 -69.03 0.34 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.248 -0.908 . . . . 0.0 109.397 179.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.568 0 O-C-N 121.158 -0.964 . . . . 0.0 109.357 179.987 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.489 1.504 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.5 t 64.23 -41.9 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.911 0 CA-C-O 120.839 0.352 . . . . 0.0 110.985 179.81 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.471 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -90.61 -122.05 2.46 Favored Glycine 0 N--CA 1.498 2.794 0 O-C-N 120.825 -1.172 . . . . 0.0 112.878 -179.431 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.415 ' C ' ' N ' ' A' ' 7' ' ' ALA . 32.7 pt -70.49 13.36 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.492 1.645 0 O-C-N 121.987 -0.714 . . . . 0.0 110.826 -179.058 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.463 ' H ' ' C ' ' A' ' 4' ' ' GLY . . . -46.22 -24.87 1.66 Allowed Glycine 0 N--CA 1.504 3.218 0 N-CA-C 108.655 -1.778 . . . . 0.0 108.655 179.689 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.415 ' N ' ' C ' ' A' ' 5' ' ' ILE . . . -63.39 -31.75 73.0 Favored 'General case' 0 N--CA 1.493 1.686 0 O-C-N 122.177 -0.602 . . . . 0.0 111.339 -179.698 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.7 mt -76.93 -45.39 27.96 Favored 'General case' 0 N--CA 1.497 1.915 0 O-C-N 121.243 -0.911 . . . . 0.0 110.572 -179.088 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.653 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 21.3 t80 -63.09 -45.6 91.34 Favored 'General case' 0 N--CA 1.497 1.912 0 C-N-CA 117.533 -1.667 . . . . 0.0 106.952 177.9 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.3 tp -58.1 -43.85 87.36 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 120.506 -1.371 . . . . 0.0 110.51 -178.643 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -54.03 -46.29 69.96 Favored Glycine 0 N--CA 1.491 2.351 0 C-N-CA 120.378 -0.915 . . . . 0.0 111.384 -178.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 56.3 t80 -87.58 -35.42 18.11 Favored 'General case' 0 N--CA 1.503 2.222 0 O-C-N 120.307 -1.702 . . . . 0.0 112.575 -178.412 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.653 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -64.86 -14.43 59.44 Favored 'General case' 0 N--CA 1.495 1.822 0 O-C-N 120.751 -1.218 . . . . 0.0 108.932 -179.857 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -76.09 -42.41 24.41 Favored Glycine 0 N--CA 1.494 2.52 0 O-C-N 120.84 -1.163 . . . . 0.0 110.507 -179.492 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.11 -32.74 62.26 Favored 'General case' 0 N--CA 1.492 1.665 0 O-C-N 121.144 -1.209 . . . . 0.0 109.695 -179.262 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.22 -48.17 82.73 Favored 'General case' 0 N--CA 1.489 1.503 0 O-C-N 121.69 -0.631 . . . . 0.0 110.826 -178.245 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.03 -39.67 93.09 Favored Glycine 0 N--CA 1.489 2.183 0 C-N-CA 119.864 -1.16 . . . . 0.0 111.147 -179.416 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 74.3 p -71.17 -24.41 62.24 Favored 'General case' 0 N--CA 1.492 1.671 0 CA-C-O 121.743 0.783 . . . . 0.0 112.71 -177.181 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 37.5 m -88.8 -39.13 14.11 Favored 'General case' 0 N--CA 1.497 1.884 0 CA-C-O 121.572 0.701 . . . . 0.0 109.229 -179.902 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 13.2 tpt -77.11 -25.4 52.15 Favored 'General case' 0 N--CA 1.491 1.613 0 CA-C-O 121.417 0.627 . . . . 0.0 109.622 -179.28 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -84.31 -23.05 52.78 Favored Glycine 0 N--CA 1.496 2.683 0 N-CA-C 109.289 -1.525 . . . . 0.0 109.289 179.656 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.94 -15.58 62.08 Favored 'General case' 0 N--CA 1.491 1.605 0 O-C-N 121.306 -1.114 . . . . 0.0 109.62 -179.827 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.55 0.49 6.69 Favored 'General case' 0 N--CA 1.492 1.643 0 O-C-N 121.097 -1.002 . . . . 0.0 109.285 179.996 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 41.6 t -160.55 35.7 0.16 Allowed 'General case' 0 N--CA 1.494 1.744 0 O-C-N 121.425 -0.797 . . . . 0.0 109.027 179.869 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.428 ' O ' ' N ' ' A' ' 27' ' ' LEU . 39.0 ttm 58.34 158.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.818 0 CA-C-O 121.443 0.64 . . . . 0.0 109.703 -179.898 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 35.5 m -59.0 88.84 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.541 0 O-C-N 121.042 -1.036 . . . . 0.0 109.46 -179.83 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' N ' ' O ' ' A' ' 25' ' ' MET . 18.0 tp -62.33 95.75 0.07 Allowed 'General case' 0 N--CA 1.49 1.568 0 O-C-N 121.305 -0.872 . . . . 0.0 109.01 -179.948 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.406 ' C ' ' H ' ' A' ' 30' ' ' GLN . 67.3 p -66.27 103.87 1.09 Allowed 'General case' 0 N--CA 1.489 1.488 0 O-C-N 121.208 -0.933 . . . . 0.0 109.534 179.987 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 31.3 m -61.44 -4.21 0.83 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.216 -0.928 . . . . 0.0 109.45 -179.878 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.406 ' H ' ' C ' ' A' ' 28' ' ' THR . 68.5 mt-30 -64.56 117.16 6.98 Favored 'General case' 0 N--CA 1.49 1.554 0 O-C-N 121.199 -0.938 . . . . 0.0 109.555 179.946 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.494 1.726 0 O-C-N 121.323 -0.861 . . . . 0.0 109.895 -179.995 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.503 ' O ' ' N ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.514 -0.55 . . . . 0.0 109.514 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 21.6 t 61.02 -71.25 0.08 OUTLIER 'Isoleucine or valine' 0 N--CA 1.494 1.77 0 O-C-N 121.972 -0.455 . . . . 0.0 110.073 -179.741 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.503 ' N ' ' O ' ' A' ' 2' ' ' ALA . . . -91.14 134.09 12.12 Favored Glycine 0 N--CA 1.493 2.484 0 O-C-N 120.866 -1.146 . . . . 0.0 111.103 179.423 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.5 pt -68.86 -6.63 6.27 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.606 0 N-CA-C 108.224 -1.028 . . . . 0.0 108.224 178.219 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.49 -25.53 2.11 Favored Glycine 0 N--CA 1.502 3.052 0 N-CA-C 108.652 -1.779 . . . . 0.0 108.652 179.852 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.74 -30.75 71.67 Favored 'General case' 0 N--CA 1.491 1.592 0 O-C-N 122.147 -0.619 . . . . 0.0 110.553 -179.969 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 20.6 mt -77.18 -46.86 21.94 Favored 'General case' 0 N--CA 1.494 1.729 0 O-C-N 121.471 -0.768 . . . . 0.0 110.308 -179.515 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.677 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 25.1 t80 -63.54 -46.48 85.78 Favored 'General case' 0 N--CA 1.498 1.948 0 C-N-CA 117.673 -1.611 . . . . 0.0 107.025 177.876 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.1 tp -57.66 -43.51 85.05 Favored 'General case' 0 N--CA 1.494 1.763 0 O-C-N 120.464 -1.398 . . . . 0.0 110.282 -178.57 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.46 70.92 Favored Glycine 0 N--CA 1.491 2.305 0 O-C-N 121.149 -0.969 . . . . 0.0 111.068 -178.717 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -87.67 -34.55 18.4 Favored 'General case' 0 N--CA 1.503 2.211 0 O-C-N 120.361 -1.67 . . . . 0.0 112.54 -178.789 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.677 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.9 -18.68 63.35 Favored 'General case' 0 N--CA 1.495 1.778 0 O-C-N 120.703 -1.248 . . . . 0.0 108.502 179.873 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.74 -1.5 90.22 Favored Glycine 0 N--CA 1.495 2.632 0 N-CA-C 109.68 -1.368 . . . . 0.0 109.68 179.856 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.22 -39.13 13.74 Favored 'General case' 0 N--CA 1.497 1.905 0 CA-C-O 122.402 1.096 . . . . 0.0 108.386 177.975 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.17 -48.16 81.28 Favored 'General case' 0 N--CA 1.49 1.573 0 CA-C-N 115.359 -0.837 . . . . 0.0 111.171 -177.937 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.51 -39.55 94.03 Favored Glycine 0 N--CA 1.49 2.289 0 C-N-CA 119.779 -1.201 . . . . 0.0 111.112 -179.188 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 41.1 t -71.08 -24.05 62.24 Favored 'General case' 0 N--CA 1.492 1.641 0 CA-C-O 121.915 0.864 . . . . 0.0 112.5 -177.236 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 47.7 m -88.98 -39.57 13.63 Favored 'General case' 0 N--CA 1.497 1.909 0 CA-C-O 121.721 0.772 . . . . 0.0 109.24 179.999 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 37.5 mtt -77.88 23.78 0.24 Allowed 'General case' 0 N--CA 1.492 1.64 0 O-C-N 121.564 -0.71 . . . . 0.0 109.93 -179.198 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -54.1 -60.72 8.03 Favored Glycine 0 N--CA 1.493 2.474 0 N-CA-C 109.933 -1.267 . . . . 0.0 109.933 -179.818 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.453 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -71.42 -53.65 13.32 Favored 'General case' 0 N--CA 1.491 1.623 0 O-C-N 121.21 -1.171 . . . . 0.0 109.462 -179.995 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.77 36.75 0.08 Allowed 'General case' 0 N--CA 1.492 1.675 0 O-C-N 121.256 -0.902 . . . . 0.0 109.942 179.988 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.453 ' H ' ' C ' ' A' ' 22' ' ' ALA . 56.3 p -78.57 -11.23 59.95 Favored 'General case' 0 N--CA 1.496 1.833 0 O-C-N 121.115 -0.991 . . . . 0.0 109.431 -179.834 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 67.5 mtt 48.77 -92.79 0.02 OUTLIER 'General case' 0 N--CA 1.496 1.846 0 O-C-N 121.521 -0.737 . . . . 0.0 110.181 179.891 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.449 ' N ' ' O ' ' A' ' 24' ' ' SER . 60.8 m -165.33 154.45 12.32 Favored 'General case' 0 N--CA 1.493 1.692 0 O-C-N 121.317 -0.865 . . . . 0.0 109.209 179.982 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 18.5 tp -69.17 95.03 0.72 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.29 -0.882 . . . . 0.0 109.209 -179.986 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . 0.427 ' H ' ' H ' ' A' ' 29' ' ' VAL . 1.3 t -173.47 -2.51 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.565 0 O-C-N 121.161 -0.962 . . . . 0.0 109.308 179.918 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.427 ' H ' ' H ' ' A' ' 28' ' ' THR . 30.7 t -63.53 -43.61 98.38 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.29 -0.881 . . . . 0.0 109.525 -179.925 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -61.07 150.54 33.54 Favored 'General case' 0 N--CA 1.489 1.494 0 O-C-N 121.163 -0.961 . . . . 0.0 109.418 179.958 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.556 0 O-C-N 121.294 -0.878 . . . . 0.0 109.442 179.96 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 CA-C-O 121.473 0.654 . . . . 0.0 109.428 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 19.6 t 53.69 89.85 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.624 0 CA-C-O 121.657 0.741 . . . . 0.0 110.365 179.699 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.87 -70.7 0.1 OUTLIER Glycine 0 N--CA 1.493 2.449 0 N-CA-C 111.264 -0.735 . . . . 0.0 111.264 178.719 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 89.8 mt -66.86 -31.4 53.33 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.587 0 O-C-N 120.917 -1.343 . . . . 0.0 109.748 -179.2 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -52.74 -33.2 41.82 Favored Glycine 0 N--CA 1.5 2.908 0 N-CA-C 108.051 -2.02 . . . . 0.0 108.051 178.374 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -63.95 -29.78 70.92 Favored 'General case' 0 N--CA 1.495 1.795 0 O-C-N 122.034 -0.686 . . . . 0.0 110.907 -179.97 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.5 tp -76.91 -48.03 19.39 Favored 'General case' 0 N--CA 1.493 1.7 0 O-C-N 121.338 -0.851 . . . . 0.0 110.268 -179.027 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.677 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 13.2 t80 -63.95 -46.53 84.26 Favored 'General case' 0 N--CA 1.497 1.875 0 C-N-CA 117.573 -1.651 . . . . 0.0 106.783 177.794 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.9 tp -56.71 -43.79 80.93 Favored 'General case' 0 N--CA 1.494 1.762 0 O-C-N 120.454 -1.403 . . . . 0.0 110.092 -178.914 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.3 -45.67 64.63 Favored Glycine 0 N--CA 1.491 2.327 0 O-C-N 121.178 -0.952 . . . . 0.0 110.962 -179.039 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -88.83 -35.23 16.71 Favored 'General case' 0 N--CA 1.501 2.117 0 O-C-N 120.318 -1.696 . . . . 0.0 112.267 -179.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.677 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.84 -18.2 65.17 Favored 'General case' 0 N--CA 1.495 1.8 0 O-C-N 120.621 -1.3 . . . . 0.0 108.867 179.988 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.49 -40.46 54.27 Favored Glycine 0 N--CA 1.492 2.413 0 N-CA-C 109.72 -1.352 . . . . 0.0 109.72 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.21 -31.6 63.64 Favored 'General case' 0 N--CA 1.491 1.583 0 O-C-N 121.425 -1.044 . . . . 0.0 109.595 -179.348 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.28 -50.62 70.97 Favored 'General case' 0 N--CA 1.489 1.504 0 O-C-N 121.522 -0.736 . . . . 0.0 111.203 -178.058 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.72 -39.8 93.74 Favored Glycine 0 N--CA 1.49 2.284 0 C-N-CA 119.825 -1.178 . . . . 0.0 111.283 -179.142 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 28.7 t -70.73 -24.24 62.6 Favored 'General case' 0 N--CA 1.492 1.635 0 CA-C-O 121.887 0.851 . . . . 0.0 112.413 -177.356 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 60.3 m -88.96 -39.44 13.73 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-O 121.621 0.724 . . . . 0.0 109.163 179.887 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 24.9 mmt -78.22 -14.19 59.55 Favored 'General case' 0 N--CA 1.493 1.717 0 O-C-N 121.543 -0.723 . . . . 0.0 110.146 -179.261 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -68.9 -36.45 81.75 Favored Glycine 0 N--CA 1.492 2.388 0 N-CA-C 109.762 -1.335 . . . . 0.0 109.762 -179.907 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.25 -14.75 62.33 Favored 'General case' 0 N--CA 1.492 1.632 0 O-C-N 121.225 -1.162 . . . . 0.0 109.387 -179.956 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.42 -26.59 62.81 Favored 'General case' 0 N--CA 1.491 1.598 0 O-C-N 121.247 -0.908 . . . . 0.0 109.408 -179.946 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 96.8 p -80.45 20.8 0.67 Allowed 'General case' 0 N--CA 1.495 1.817 0 O-C-N 121.44 -0.787 . . . . 0.0 109.33 179.986 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 11.5 ttt 54.53 -133.08 1.76 Allowed 'General case' 0 N--CA 1.493 1.682 0 O-C-N 121.298 -0.877 . . . . 0.0 109.402 179.937 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.1 p -77.15 169.14 18.87 Favored 'General case' 0 N--CA 1.495 1.777 0 O-C-N 121.043 -1.036 . . . . 0.0 109.337 179.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 17.4 tp -67.53 112.08 4.49 Favored 'General case' 0 N--CA 1.49 1.556 0 O-C-N 121.215 -0.928 . . . . 0.0 108.934 179.91 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 45.5 m -164.93 153.8 12.52 Favored 'General case' 0 N--CA 1.494 1.764 0 O-C-N 121.322 -0.861 . . . . 0.0 109.318 179.978 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.4 m -58.9 -164.61 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.542 0 O-C-N 121.249 -0.907 . . . . 0.0 109.51 -179.966 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 9.9 tt0 53.16 73.09 0.38 Allowed 'General case' 0 N--CA 1.494 1.753 0 O-C-N 121.219 -0.925 . . . . 0.0 109.799 179.963 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.546 0 O-C-N 121.225 -0.922 . . . . 0.0 109.357 179.989 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.568 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.49 1.566 0 N-CA-C 109.551 -0.537 . . . . 0.0 109.551 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 7.7 t 62.37 -13.76 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.499 2.015 0 O-C-N 121.706 -0.621 . . . . 0.0 110.581 -179.693 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.568 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . 171.04 152.67 8.36 Favored Glycine 0 N--CA 1.486 1.988 0 O-C-N 120.964 -1.085 . . . . 0.0 110.781 179.106 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 95.9 mt -68.53 -5.72 4.82 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.503 0 N-CA-C 108.326 -0.99 . . . . 0.0 108.326 178.525 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -46.64 -25.99 2.43 Favored Glycine 0 N--CA 1.503 3.129 0 N-CA-C 108.716 -1.754 . . . . 0.0 108.716 179.568 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.68 -30.4 71.36 Favored 'General case' 0 N--CA 1.491 1.618 0 O-C-N 121.951 -0.735 . . . . 0.0 110.649 -179.836 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 22.3 tp -76.91 -46.09 25.58 Favored 'General case' 0 N--CA 1.494 1.752 0 O-C-N 121.374 -0.829 . . . . 0.0 110.251 -179.429 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.665 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 26.6 t80 -63.59 -47.18 82.54 Favored 'General case' 0 N--CA 1.497 1.902 0 C-N-CA 117.557 -1.657 . . . . 0.0 107.138 177.837 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 24.5 mt -57.82 -43.52 85.83 Favored 'General case' 0 N--CA 1.496 1.872 0 O-C-N 120.419 -1.426 . . . . 0.0 110.839 -178.728 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.92 -45.41 71.01 Favored Glycine 0 N--CA 1.492 2.393 0 C-N-CA 120.216 -0.993 . . . . 0.0 111.074 -178.787 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.2 t80 -87.59 -34.74 18.42 Favored 'General case' 0 N--CA 1.501 2.116 0 O-C-N 120.296 -1.708 . . . . 0.0 112.528 -178.631 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.665 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -62.76 -18.13 62.12 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 120.754 -1.217 . . . . 0.0 108.587 179.969 . . . . . . . . 3 3 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.37 -1.85 90.25 Favored Glycine 0 N--CA 1.495 2.624 0 N-CA-C 110.018 -1.233 . . . . 0.0 110.018 179.811 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.41 -39.18 13.56 Favored 'General case' 0 N--CA 1.498 1.962 0 CA-C-O 122.353 1.073 . . . . 0.0 108.452 178.095 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -47.78 82.98 Favored 'General case' 0 N--CA 1.49 1.532 0 CA-C-N 115.32 -0.855 . . . . 0.0 111.222 -178.004 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.6 -39.31 93.81 Favored Glycine 0 N--CA 1.491 2.319 0 C-N-CA 119.826 -1.178 . . . . 0.0 111.129 -179.255 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -71.16 -23.95 62.15 Favored 'General case' 0 N--CA 1.491 1.611 0 CA-C-O 121.961 0.886 . . . . 0.0 112.569 -177.232 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 36.3 m -88.85 -39.5 13.8 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-O 121.716 0.769 . . . . 0.0 109.382 179.989 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 23.4 mmt -77.29 14.17 1.0 Allowed 'General case' 0 N--CA 1.492 1.631 0 O-C-N 121.519 -0.738 . . . . 0.0 109.999 -179.23 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -72.29 -9.9 73.45 Favored Glycine 0 N--CA 1.492 2.431 0 N-CA-C 109.529 -1.428 . . . . 0.0 109.529 179.873 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.7 -39.92 69.85 Favored 'General case' 0 N--CA 1.491 1.588 0 O-C-N 121.269 -1.136 . . . . 0.0 109.417 -179.899 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.03 5.71 1.93 Allowed 'General case' 0 N--CA 1.493 1.704 0 O-C-N 121.205 -0.934 . . . . 0.0 109.531 179.981 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 26.1 t -80.01 32.76 0.27 Allowed 'General case' 0 N--CA 1.495 1.824 0 O-C-N 121.357 -0.84 . . . . 0.0 109.494 -179.901 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 44.5 mtt 50.54 70.76 0.48 Allowed 'General case' 0 N--CA 1.496 1.854 0 O-C-N 121.326 -0.858 . . . . 0.0 110.177 179.861 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 63.1 p -67.35 -144.57 0.01 OUTLIER 'General case' 0 N--CA 1.49 1.558 0 O-C-N 121.227 -0.921 . . . . 0.0 109.308 179.917 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.6 mt 55.87 46.72 21.6 Favored 'General case' 0 N--CA 1.493 1.677 0 O-C-N 121.223 -0.923 . . . . 0.0 109.567 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 53.2 p -68.02 161.75 25.98 Favored 'General case' 0 N--CA 1.491 1.591 0 O-C-N 121.241 -0.912 . . . . 0.0 109.419 -179.955 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.9 m -61.28 141.48 17.4 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.554 0 O-C-N 121.219 -0.925 . . . . 0.0 109.504 -179.976 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -67.63 -39.41 84.68 Favored 'General case' 0 N--CA 1.489 1.508 0 O-C-N 121.133 -0.979 . . . . 0.0 109.485 -179.983 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.588 0 O-C-N 121.271 -0.893 . . . . 0.0 109.415 179.966 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . 0.538 ' C ' ' H ' ' A' ' 4' ' ' GLY . . . . . . . . 0 N--CA 1.491 1.587 0 CA-C-O 121.372 0.606 . . . . 0.0 109.425 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 t 61.96 -18.73 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.497 1.91 0 O-C-N 121.955 -0.466 . . . . 0.0 111.306 179.812 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.538 ' H ' ' C ' ' A' ' 2' ' ' ALA . . . -88.85 -173.73 46.74 Favored Glycine 0 N--CA 1.493 2.448 0 O-C-N 120.635 -1.291 . . . . 0.0 111.574 179.698 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . 0.421 ' C ' ' N ' ' A' ' 7' ' ' ALA . 27.4 pt -70.96 12.4 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.491 1.616 0 O-C-N 122.232 -0.569 . . . . 0.0 109.981 179.667 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . 0.465 ' H ' ' C ' ' A' ' 4' ' ' GLY . . . -45.39 -24.37 1.0 Allowed Glycine 0 N--CA 1.504 3.19 0 N-CA-C 108.884 -1.687 . . . . 0.0 108.884 -179.925 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . 0.421 ' N ' ' C ' ' A' ' 5' ' ' ILE . . . -62.78 -31.35 72.3 Favored 'General case' 0 N--CA 1.492 1.626 0 O-C-N 122.081 -0.658 . . . . 0.0 110.902 -179.718 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 18.9 mt -76.73 -45.83 27.78 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 121.36 -0.837 . . . . 0.0 110.71 -179.381 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 96.8 m-85 -63.88 -46.73 83.61 Favored 'General case' 0 N--CA 1.499 1.977 0 C-N-CA 117.374 -1.731 . . . . 0.0 107.132 177.623 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 27.8 mt -55.88 -43.63 77.38 Favored 'General case' 0 N--CA 1.495 1.787 0 O-C-N 120.282 -1.511 . . . . 0.0 110.408 -178.673 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.96 -46.38 61.02 Favored Glycine 0 N--CA 1.49 2.271 0 O-C-N 121.144 -0.973 . . . . 0.0 110.977 -179.294 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.0 t80 -89.0 -35.65 16.27 Favored 'General case' 0 N--CA 1.502 2.152 0 O-C-N 120.447 -1.619 . . . . 0.0 112.299 -179.01 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.438 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -64.78 -18.3 64.96 Favored 'General case' 0 N--CA 1.496 1.84 0 O-C-N 120.778 -1.201 . . . . 0.0 108.643 -179.885 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -74.99 -41.17 33.3 Favored Glycine 0 N--CA 1.494 2.524 0 N-CA-C 110.122 -1.191 . . . . 0.0 110.122 -179.737 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -55.66 -32.36 63.15 Favored 'General case' 0 N--CA 1.493 1.68 0 O-C-N 121.144 -1.21 . . . . 0.0 109.755 -179.207 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.07 -48.49 81.5 Favored 'General case' 0 N--CA 1.491 1.596 0 O-C-N 121.656 -0.653 . . . . 0.0 110.889 -178.175 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -67.21 -39.53 92.33 Favored Glycine 0 N--CA 1.49 2.247 0 C-N-CA 119.78 -1.2 . . . . 0.0 111.35 -179.262 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 48.3 m -71.01 -24.73 62.43 Favored 'General case' 0 N--CA 1.494 1.741 0 CA-C-O 121.731 0.777 . . . . 0.0 112.798 -177.066 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.5 p -88.7 -38.95 14.35 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 179.914 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 15.4 ttt -77.25 -33.24 56.06 Favored 'General case' 0 N--CA 1.493 1.685 0 O-C-N 121.549 -0.719 . . . . 0.0 109.823 -179.348 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -81.16 6.25 64.06 Favored Glycine 0 N--CA 1.495 2.574 0 N-CA-C 109.254 -1.538 . . . . 0.0 109.254 179.612 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.51 -16.46 62.34 Favored 'General case' 0 N--CA 1.492 1.649 0 O-C-N 121.226 -1.161 . . . . 0.0 109.584 -179.802 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.54 -15.2 62.76 Favored 'General case' 0 N--CA 1.492 1.652 0 O-C-N 121.184 -0.947 . . . . 0.0 109.329 179.961 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 88.5 p -80.93 61.76 4.66 Favored 'General case' 0 N--CA 1.495 1.785 0 O-C-N 121.343 -0.848 . . . . 0.0 109.353 179.848 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 39.9 mtt 51.37 -174.33 0.02 OUTLIER 'General case' 0 N--CA 1.495 1.793 0 O-C-N 121.287 -0.883 . . . . 0.0 109.997 -179.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.9 p -68.06 -50.7 53.53 Favored 'General case' 0 N--CA 1.491 1.61 0 O-C-N 121.287 -0.883 . . . . 0.0 109.47 -179.901 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 25.7 tp -170.08 128.64 0.89 Allowed 'General case' 0 N--CA 1.492 1.638 0 O-C-N 121.194 -0.941 . . . . 0.0 108.95 -179.959 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.6 t -169.43 23.98 0.02 OUTLIER 'General case' 0 N--CA 1.492 1.674 0 O-C-N 121.259 -0.9 . . . . 0.0 109.461 -179.989 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 28.2 t -68.82 114.29 5.5 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.561 0 O-C-N 121.301 -0.875 . . . . 0.0 109.484 179.973 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.603 ' CD ' ' H ' ' A' ' 30' ' ' GLN . 0.1 OUTLIER -56.59 -168.89 0.0 OUTLIER 'General case' 0 N--CA 1.493 1.697 0 O-C-N 121.304 -0.873 . . . . 0.0 109.779 -179.87 . . . . . . . . 3 3 . 1 . 027 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.492 1.639 0 O-C-N 121.142 -0.974 . . . . 0.0 109.406 179.99 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.489 1.523 0 N-CA-C 109.571 -0.529 . . . . 0.0 109.571 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 12.4 t 57.09 109.9 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.491 1.62 0 CA-C-O 121.749 0.785 . . . . 0.0 110.365 179.89 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.16 46.15 0.05 OUTLIER Glycine 0 N--CA 1.493 2.435 0 C-N-CA 120.756 -0.735 . . . . 0.0 111.325 178.626 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 23.6 pt -67.39 -27.71 39.72 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.501 0 O-C-N 121.012 -1.287 . . . . 0.0 108.717 179.145 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -50.83 -29.89 20.47 Favored Glycine 0 N--CA 1.501 3.015 0 N-CA-C 108.342 -1.903 . . . . 0.0 108.342 178.815 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.91 -31.02 71.99 Favored 'General case' 0 N--CA 1.494 1.75 0 O-C-N 122.038 -0.683 . . . . 0.0 110.969 -179.765 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 25.7 mt -76.87 -46.23 25.36 Favored 'General case' 0 N--CA 1.494 1.748 0 O-C-N 121.433 -0.792 . . . . 0.0 110.298 -179.316 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.673 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 13.3 t80 -63.9 -46.43 84.87 Favored 'General case' 0 N--CA 1.496 1.869 0 C-N-CA 117.612 -1.635 . . . . 0.0 106.985 177.801 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 26.9 tp -56.21 -43.82 78.91 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.463 -1.398 . . . . 0.0 110.291 -178.78 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -52.83 -45.66 60.88 Favored Glycine 0 N--CA 1.491 2.354 0 C-N-CA 120.233 -0.984 . . . . 0.0 111.006 -178.901 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 81.6 m-85 -88.95 -34.82 16.76 Favored 'General case' 0 N--CA 1.502 2.125 0 O-C-N 120.447 -1.62 . . . . 0.0 112.175 -179.161 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.673 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.68 -19.44 65.9 Favored 'General case' 0 N--CA 1.496 1.845 0 O-C-N 120.667 -1.271 . . . . 0.0 108.859 179.987 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.05 -39.79 57.94 Favored Glycine 0 N--CA 1.493 2.452 0 N-CA-C 109.795 -1.322 . . . . 0.0 109.795 -179.846 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.83 -31.75 65.07 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.47 -1.018 . . . . 0.0 109.931 -179.295 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.16 -50.87 70.13 Favored 'General case' 0 N--CA 1.491 1.611 0 O-C-N 121.486 -0.759 . . . . 0.0 111.348 -178.006 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.43 -39.53 94.15 Favored Glycine 0 N--CA 1.49 2.29 0 C-N-CA 119.772 -1.204 . . . . 0.0 111.152 -178.977 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 50.7 m -70.79 -23.95 62.48 Favored 'General case' 0 N--CA 1.49 1.552 0 CA-C-O 121.983 0.897 . . . . 0.0 112.462 -177.334 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 59.6 m -89.07 -39.64 13.5 Favored 'General case' 0 N--CA 1.495 1.821 0 N-CA-C 109.157 -0.683 . . . . 0.0 109.157 179.862 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 62.5 mtt -78.13 -13.4 59.88 Favored 'General case' 0 N--CA 1.494 1.755 0 O-C-N 121.652 -0.655 . . . . 0.0 110.068 -179.079 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -63.07 -16.81 58.1 Favored Glycine 0 N--CA 1.491 2.325 0 N-CA-C 109.641 -1.384 . . . . 0.0 109.641 -179.738 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.99 -59.97 2.47 Favored 'General case' 0 N--CA 1.493 1.702 0 O-C-N 121.321 -1.105 . . . . 0.0 109.681 -179.786 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -71.22 -3.15 18.73 Favored 'General case' 0 N--CA 1.492 1.666 0 O-C-N 121.256 -0.902 . . . . 0.0 109.796 -179.721 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 22.8 t -80.1 34.34 0.3 Allowed 'General case' 0 N--CA 1.496 1.836 0 O-C-N 121.274 -0.891 . . . . 0.0 109.511 -179.981 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 43.6 mtt 51.92 -136.57 1.31 Allowed 'General case' 0 N--CA 1.494 1.765 0 O-C-N 121.193 -0.942 . . . . 0.0 109.849 -179.885 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 1.6 t -169.66 13.64 0.02 OUTLIER 'General case' 0 N--CA 1.491 1.614 0 O-C-N 121.079 -1.013 . . . . 0.0 109.408 179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 16.8 mt -69.02 -12.19 61.46 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 121.248 -0.907 . . . . 0.0 109.357 -179.954 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 68.9 p -63.26 119.87 10.46 Favored 'General case' 0 N--CA 1.491 1.576 0 O-C-N 121.154 -0.966 . . . . 0.0 109.507 -179.907 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 32.6 t -67.88 89.16 0.15 Allowed 'Isoleucine or valine' 0 N--CA 1.49 1.552 0 O-C-N 121.227 -0.921 . . . . 0.0 109.301 -179.967 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 23.2 pt20 -62.31 -31.58 72.21 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.262 -0.899 . . . . 0.0 109.546 179.973 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.593 0 O-C-N 121.246 -0.909 . . . . 0.0 109.432 179.988 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.474 -0.565 . . . . 0.0 109.474 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 t 56.36 106.26 0.03 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.538 0 CA-C-O 121.793 0.806 . . . . 0.0 110.169 179.942 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.35 -8.38 0.03 OUTLIER Glycine 0 N--CA 1.492 2.37 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.062 178.929 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 25.0 pt -66.72 -32.48 58.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.594 0 O-C-N 120.427 -1.631 . . . . 0.0 109.827 -179.542 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -55.53 -34.72 60.4 Favored Glycine 0 N--CA 1.496 2.655 0 N-CA-C 108.295 -1.922 . . . . 0.0 108.295 178.268 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.18 -30.24 70.93 Favored 'General case' 0 N--CA 1.495 1.803 0 O-C-N 121.539 -0.977 . . . . 0.0 110.645 -179.733 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 21.9 tp -76.61 -46.36 26.34 Favored 'General case' 0 N--CA 1.491 1.608 0 O-C-N 121.567 -0.708 . . . . 0.0 110.157 -179.292 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . 0.679 ' CZ ' HD23 ' A' ' 13' ' ' LEU . 17.6 t80 -64.52 -48.06 76.54 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 117.693 -1.603 . . . . 0.0 107.128 177.748 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 8.4 mp -57.65 -43.21 84.77 Favored 'General case' 0 N--CA 1.498 1.942 0 O-C-N 120.315 -1.491 . . . . 0.0 109.758 -178.83 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.4 -45.58 65.63 Favored Glycine 0 N--CA 1.491 2.365 0 C-N-CA 120.13 -1.033 . . . . 0.0 110.811 -179.015 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 58.0 t80 -88.41 -35.08 17.29 Favored 'General case' 0 N--CA 1.502 2.154 0 O-C-N 120.371 -1.664 . . . . 0.0 112.278 -178.988 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.679 HD23 ' CZ ' ' A' ' 9' ' ' PHE . 0.2 OUTLIER -65.94 -16.8 64.19 Favored 'General case' 0 N--CA 1.496 1.853 0 O-C-N 120.743 -1.223 . . . . 0.0 109.015 -179.909 . . . . . . . . 3 3 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -72.51 -40.46 54.17 Favored Glycine 0 N--CA 1.492 2.367 0 N-CA-C 109.889 -1.284 . . . . 0.0 109.889 -179.87 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -56.3 -31.72 63.93 Favored 'General case' 0 N--CA 1.491 1.585 0 O-C-N 121.342 -1.093 . . . . 0.0 109.776 -179.372 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -62.15 -50.49 71.65 Favored 'General case' 0 N--CA 1.49 1.564 0 O-C-N 121.56 -0.713 . . . . 0.0 111.399 -178.06 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.75 -39.4 93.6 Favored Glycine 0 N--CA 1.49 2.239 0 C-N-CA 119.844 -1.169 . . . . 0.0 111.355 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 42.5 t -70.89 -24.06 62.41 Favored 'General case' 0 N--CA 1.49 1.531 0 CA-C-O 121.997 0.903 . . . . 0.0 112.446 -177.346 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 57.4 m -88.77 -39.44 13.92 Favored 'General case' 0 N--CA 1.495 1.8 0 CA-C-O 121.598 0.713 . . . . 0.0 109.233 179.91 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 65.8 mtt -78.23 17.83 0.59 Allowed 'General case' 0 N--CA 1.491 1.616 0 O-C-N 121.497 -0.752 . . . . 0.0 110.128 -179.16 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -53.88 -32.51 48.58 Favored Glycine 0 N--CA 1.493 2.477 0 N-CA-C 110.059 -1.216 . . . . 0.0 110.059 -179.508 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . 0.442 ' C ' ' H ' ' A' ' 24' ' ' SER . . . -72.11 -61.12 1.9 Allowed 'General case' 0 N--CA 1.492 1.629 0 O-C-N 121.229 -1.16 . . . . 0.0 109.559 179.998 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -72.86 19.08 0.09 Allowed 'General case' 0 N--CA 1.493 1.711 0 O-C-N 121.346 -0.846 . . . . 0.0 110.106 -179.826 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . 0.442 ' H ' ' C ' ' A' ' 22' ' ' ALA . 95.3 p -79.04 31.01 0.21 Allowed 'General case' 0 N--CA 1.497 1.898 0 O-C-N 121.092 -1.005 . . . . 0.0 109.573 -179.874 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 14.9 tpt 53.0 97.4 0.01 OUTLIER 'General case' 0 N--CA 1.494 1.76 0 O-C-N 121.332 -0.855 . . . . 0.0 109.762 179.922 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 28.3 m -66.08 -73.92 0.12 Allowed 'General case' 0 N--CA 1.49 1.562 0 O-C-N 121.214 -0.928 . . . . 0.0 109.477 -179.969 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 23.5 mt -64.19 -168.18 0.03 OUTLIER 'General case' 0 N--CA 1.49 1.545 0 O-C-N 121.153 -0.967 . . . . 0.0 109.308 179.991 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 1.4 t -172.77 144.88 1.41 Allowed 'General case' 0 N--CA 1.489 1.484 0 O-C-N 121.239 -0.913 . . . . 0.0 109.426 -179.984 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 29.0 m -67.15 -165.63 0.02 OUTLIER 'Isoleucine or valine' 0 N--CA 1.49 1.546 0 O-C-N 121.183 -0.948 . . . . 0.0 109.433 179.957 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 64.8 tp60 -63.91 127.4 31.25 Favored 'General case' 0 N--CA 1.49 1.569 0 O-C-N 121.373 -0.829 . . . . 0.0 109.24 179.966 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.491 1.613 0 O-C-N 121.274 -0.891 . . . . 0.0 109.586 -179.988 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.47 -0.567 . . . . 0.0 109.47 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 9.7 t 60.34 144.15 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.492 1.653 0 CA-C-O 121.875 0.845 . . . . 0.0 110.418 179.798 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 174.33 171.81 38.94 Favored Glycine 0 N--CA 1.486 2.03 0 N-CA-C 111.156 -0.778 . . . . 0.0 111.156 178.827 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' ILE . . . . . . . . . . . . . 96.6 mt -67.86 -12.52 15.63 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.591 0 N-CA-C 108.888 -0.782 . . . . 0.0 108.888 179.16 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' GLY . . . . . . . . . . . . . . . -47.21 -25.72 2.88 Favored Glycine 0 N--CA 1.503 3.134 0 N-CA-C 108.853 -1.699 . . . . 0.0 108.853 179.647 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' ALA . . . . . . . . . . . . . . . -62.89 -31.93 73.09 Favored 'General case' 0 N--CA 1.492 1.645 0 O-C-N 122.101 -0.647 . . . . 0.0 111.323 -179.511 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.442 HD12 ' N ' ' A' ' 8' ' ' LEU . 10.5 mp -77.07 -45.29 27.58 Favored 'General case' 0 N--CA 1.498 1.956 0 O-C-N 121.309 -0.869 . . . . 0.0 110.011 -179.27 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -64.23 -46.14 85.14 Favored 'General case' 0 N--CA 1.498 1.961 0 C-N-CA 117.416 -1.714 . . . . 0.0 107.176 177.606 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' LEU . . . . . . . . . . . . . 25.7 tp -55.91 -43.82 77.66 Favored 'General case' 0 N--CA 1.495 1.809 0 O-C-N 120.336 -1.478 . . . . 0.0 109.947 -178.815 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -53.05 -45.54 62.35 Favored Glycine 0 N--CA 1.492 2.38 0 C-N-CA 120.269 -0.967 . . . . 0.0 110.946 -179.222 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -88.79 -35.04 16.87 Favored 'General case' 0 N--CA 1.502 2.156 0 O-C-N 120.466 -1.608 . . . . 0.0 112.133 -179.033 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.44 HD13 ' O ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -62.12 -22.21 65.64 Favored 'General case' 0 N--CA 1.494 1.761 0 O-C-N 120.832 -1.167 . . . . 0.0 108.108 179.681 . . . . . . . . 3 3 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' GLY . . . . . . . . . . . . . . . -81.32 -1.52 90.09 Favored Glycine 0 N--CA 1.496 2.673 0 N-CA-C 109.765 -1.334 . . . . 0.0 109.765 179.616 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -89.39 -39.23 13.55 Favored 'General case' 0 N--CA 1.497 1.875 0 CA-C-O 122.338 1.066 . . . . 0.0 108.47 178.198 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' ALA . . . . . . . . . . . . . . . -61.66 -47.32 85.87 Favored 'General case' 0 N--CA 1.489 1.523 0 CA-C-N 115.36 -0.836 . . . . 0.0 111.131 -178.015 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -66.63 -39.09 93.72 Favored Glycine 0 N--CA 1.491 2.302 0 C-N-CA 119.779 -1.2 . . . . 0.0 111.372 -179.282 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' SER . . . . . . . . . . . . . 46.9 m -71.11 -24.43 62.29 Favored 'General case' 0 N--CA 1.493 1.685 0 CA-C-O 121.85 0.833 . . . . 0.0 112.906 -177.219 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' THR . . . . . . . . . . . . . 17.9 p -88.97 -39.05 14.0 Favored 'General case' 0 N--CA 1.498 1.927 0 CA-C-O 121.64 0.733 . . . . 0.0 109.233 179.94 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 59.5 mtt -76.98 0.92 19.35 Favored 'General case' 0 N--CA 1.492 1.654 0 O-C-N 121.469 -0.769 . . . . 0.0 109.987 -179.184 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' GLY . . . . . . . . . . . . . . . -80.5 1.85 80.44 Favored Glycine 0 N--CA 1.495 2.597 0 N-CA-C 109.335 -1.506 . . . . 0.0 109.335 179.749 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.77 -58.07 3.79 Favored 'General case' 0 N--CA 1.493 1.681 0 O-C-N 121.271 -1.135 . . . . 0.0 109.599 -179.863 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -70.67 -3.25 17.54 Favored 'General case' 0 N--CA 1.492 1.655 0 O-C-N 121.19 -0.944 . . . . 0.0 109.456 -179.836 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' SER . . . . . . . . . . . . . 32.6 t -80.3 45.57 0.76 Allowed 'General case' 0 N--CA 1.494 1.751 0 O-C-N 121.373 -0.83 . . . . 0.0 109.417 179.769 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.523 ' N ' ' SD ' ' A' ' 25' ' ' MET . 1.1 mpt? 50.73 -164.59 0.05 OUTLIER 'General case' 0 N--CA 1.497 1.875 0 O-C-N 121.362 -0.836 . . . . 0.0 109.782 -179.907 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 81.2 p -58.26 -171.13 0.01 OUTLIER 'General case' 0 N--CA 1.491 1.607 0 O-C-N 121.171 -0.956 . . . . 0.0 109.463 179.977 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.511 ' N ' HD12 ' A' ' 27' ' ' LEU . 8.5 mp -59.54 -177.6 0.05 Allowed 'General case' 0 N--CA 1.491 1.6 0 O-C-N 121.244 -0.91 . . . . 0.0 108.876 179.975 . . . . . . . . 2 2 . 1 . 030 nuclear nobuild full ' A' A ' 28' ' ' THR . . . . . . . . . . . . . 60.8 p -65.89 154.5 39.09 Favored 'General case' 0 N--CA 1.489 1.513 0 O-C-N 121.165 -0.959 . . . . 0.0 109.527 -179.913 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 30.0 m -66.25 148.55 12.02 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.599 0 O-C-N 121.124 -0.985 . . . . 0.0 109.493 -179.994 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 76.5 mt-30 -60.86 157.27 15.46 Favored 'General case' 0 N--CA 1.49 1.563 0 O-C-N 121.287 -0.883 . . . . 0.0 109.417 179.971 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 31' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.49 1.539 0 O-C-N 121.221 -0.924 . . . . 0.0 109.511 179.967 . . . . . . . . 0 0 . 1 stop_ save_