data_2pjv_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 2pjv _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.463 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.04 -34.07 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.136 0.974 . . . . 0.0 110.388 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.79 84.63 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.006 0.812 . . . . 0.0 111.813 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.49 72.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 117.88 0.84 . . . . 0.0 110.941 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.28 -39.31 82.18 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.352 0.978 . . . . 0.0 109.398 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.15 -49.46 67.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.22 1.009 . . . . 0.0 112.257 -173.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -72.39 -36.67 68.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.71 -71.28 0.97 Allowed Glycine 0 N--CA 1.463 0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.706 -160.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.07 -49.22 78.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.045 1.338 . . . . 0.0 111.165 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.54 -43.47 80.66 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.898 1.679 . . . . 0.0 110.011 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 CA-C-N 119.314 0.961 . . . . 0.0 112.422 -177.931 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.428 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.82 -34.85 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.137 0.975 . . . . 0.0 110.867 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.11 71.34 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.413 -0.659 . . . . 0.0 111.972 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.88 76.96 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 117.892 0.846 . . . . 0.0 110.27 172.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.91 -39.89 83.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 118.863 0.756 . . . . 0.0 109.793 171.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.56 -49.47 66.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.117 0.961 . . . . 0.0 112.087 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.01 -36.96 67.12 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.46 -74.92 1.23 Allowed Glycine 0 N--CA 1.462 0.391 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.034 -160.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.02 -49.08 78.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.233 1.413 . . . . 0.0 111.207 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.67 -48.21 64.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.042 1.737 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 CA-C-N 119.097 0.862 . . . . 0.0 112.587 -173.714 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.291 0 CA-C-O 122.605 1.114 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.0 -33.41 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.394 1.078 . . . . 0.0 110.478 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.44 -32.16 78.51 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.28 75.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.312 0.556 . . . . 0.0 110.27 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.93 -40.43 83.32 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.619 0.645 . . . . 0.0 109.829 171.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.67 -49.49 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.555 0.742 . . . . 0.0 111.706 -168.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pp -80.51 -22.5 40.89 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.68 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.99 -80.23 1.46 Allowed Glycine 0 C--N 1.337 0.616 0 O-C-N 123.605 0.566 . . . . 0.0 112.542 -165.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.43 -48.99 77.68 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.796 1.638 . . . . 0.0 111.675 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.67 -46.38 72.52 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.024 1.73 . . . . 0.0 109.8 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.203 0 CA-C-O 119.278 -0.734 . . . . 0.0 112.46 -174.941 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.475 0 CA-C-O 122.542 1.079 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.69 -31.19 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.523 0.729 . . . . 0.0 109.717 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.33 -16.91 75.68 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.457 1.503 . . . . 0.0 113.245 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.42 77.58 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.632 1.716 . . . . 0.0 109.682 162.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.84 -37.55 84.69 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.12 -49.76 68.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.174 0.988 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.93 -36.6 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.168 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.88 -72.92 1.07 Allowed Glycine 0 C--O 1.226 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.178 -159.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.16 -49.17 78.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.38 1.472 . . . . 0.0 111.181 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.47 -40.95 73.36 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.281 1.833 . . . . 0.0 110.211 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.155 0 CA-C-N 119.053 0.842 . . . . 0.0 111.851 179.458 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.369 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.97 -37.27 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.719 1.208 . . . . 0.0 110.786 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.79 -32.01 67.07 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.29 -30.96 70.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.481 0.64 . . . . 0.0 111.324 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.46 -41.85 83.97 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.642 1.11 . . . . 0.0 109.626 167.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -68.12 -49.59 60.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.131 0.491 . . . . 0.0 111.943 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -80.55 -21.75 41.47 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.801 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.06 -81.17 1.54 Allowed Glycine 0 C--N 1.339 0.735 0 O-C-N 123.604 0.565 . . . . 0.0 111.888 -168.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.13 -49.01 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.345 1.458 . . . . 0.0 111.707 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.52 -49.39 33.12 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.283 1.833 . . . . 0.0 110.229 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 CA-C-N 118.663 0.665 . . . . 0.0 112.579 -170.598 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.91 -33.61 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.228 1.011 . . . . 0.0 110.467 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.75 -32.25 82.36 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 123.972 0.796 . . . . 0.0 111.738 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.83 72.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.678 0.739 . . . . 0.0 111.07 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.91 -39.92 83.49 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 119.376 0.989 . . . . 0.0 109.194 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.15 -49.36 72.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.41 1.1 . . . . 0.0 112.166 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.26 -37.72 69.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.49 -69.77 0.92 Allowed Glycine 0 C--O 1.224 -0.484 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.742 -158.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.59 -49.24 74.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 tp -66.6 -41.88 87.76 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.103 1.761 . . . . 0.0 109.719 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.249 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.859 179.537 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -55.48 -36.68 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.331 1.052 . . . . 0.0 111.291 -174.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.53 -30.18 69.11 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-O 119.491 -0.616 . . . . 0.0 111.565 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.26 75.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.638 0.719 . . . . 0.0 110.543 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.5 -40.6 85.19 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 118.949 0.795 . . . . 0.0 109.882 170.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.41 -49.49 63.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.165 0.983 . . . . 0.0 112.207 -170.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.19 -35.9 69.07 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.97 -74.55 1.15 Allowed Glycine 0 N--CA 1.463 0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.295 -160.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.51 -48.95 79.12 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.005 1.322 . . . . 0.0 111.369 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.74 -47.36 69.5 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.294 1.838 . . . . 0.0 110.03 173.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 CA-C-N 119.286 0.948 . . . . 0.0 112.476 -174.434 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 122.56 1.089 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.49 -31.26 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.605 0.717 . . . . 0.0 109.749 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.28 -16.88 75.58 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.187 1.851 . . . . 0.0 113.148 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.82 -45.95 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 119.467 1.634 . . . . 0.0 109.513 162.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.4 -38.01 89.54 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 123.419 0.688 . . . . 0.0 109.764 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -60.49 -49.06 79.06 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.339 1.456 . . . . 0.0 112.532 -175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -76.3 -38.55 55.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.106 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.28 -67.47 0.9 Allowed Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.662 -157.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -67.07 -49.19 65.91 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.925 1.29 . . . . 0.0 110.618 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 tp -63.9 -42.98 97.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.702 1.601 . . . . 0.0 109.808 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.215 0 CA-C-O 119.034 -0.87 . . . . 0.0 112.263 179.658 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.447 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.72 -35.57 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.049 0.94 . . . . 0.0 110.78 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.92 -27.88 71.51 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-O 119.362 -0.688 . . . . 0.0 111.931 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.42 76.08 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 117.842 0.821 . . . . 0.0 110.237 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.22 -41.4 81.35 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.033 0.833 . . . . 0.0 109.947 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.74 -49.51 68.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.363 1.077 . . . . 0.0 112.285 -168.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.66 -38.01 55.29 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.24 -71.73 1.15 Allowed Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.854 -160.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.58 -49.24 76.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.974 0.91 . . . . 0.0 111.614 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.87 -45.13 83.22 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.164 1.786 . . . . 0.0 109.759 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.026 -179.072 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.5 mm -57.95 -34.19 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 123.844 0.858 . . . . 0.0 110.788 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -26.83 73.34 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.0 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.79 74.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 118.201 1.001 . . . . 0.0 110.494 171.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.17 -39.65 82.52 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.136 0.88 . . . . 0.0 109.85 171.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.15 -49.58 64.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.163 0.982 . . . . 0.0 112.236 -171.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.83 -36.64 64.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.3 -72.83 1.08 Allowed Glycine 0 N--CA 1.462 0.406 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.219 -160.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -59.38 -48.97 79.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.447 1.099 . . . . 0.0 111.347 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.97 -47.36 71.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.066 1.747 . . . . 0.0 110.106 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.099 0 CA-C-O 119.008 -0.884 . . . . 0.0 113.038 -175.572 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.454 0 CA-C-O 122.259 0.922 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -58.65 -33.31 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.992 0.917 . . . . 0.0 110.35 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.55 79.42 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.783 0.706 . . . . 0.0 111.721 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -32.06 71.61 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 117.881 0.841 . . . . 0.0 111.117 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.17 -41.4 81.55 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.224 0.92 . . . . 0.0 109.437 169.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -65.22 -49.45 69.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.341 1.067 . . . . 0.0 112.164 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.5 -40.42 66.88 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.02 -70.92 1.04 Allowed Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.14 -157.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.62 -49.2 78.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.276 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.83 -46.01 76.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 126.211 1.805 . . . . 0.0 109.876 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 CA-C-N 119.405 1.002 . . . . 0.0 112.493 -177.415 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.438 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.5 mm -58.29 -33.18 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 124.104 0.962 . . . . 0.0 110.553 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.16 -32.64 82.87 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 123.92 0.771 . . . . 0.0 111.686 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.828 0.814 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.77 -39.89 84.07 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.233 0.924 . . . . 0.0 109.048 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.97 -49.46 70.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.315 1.055 . . . . 0.0 112.198 -173.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.38 -36.78 71.55 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.27 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.64 -71.78 0.96 Allowed Glycine 0 N--CA 1.463 0.441 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.68 -159.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.49 -49.24 77.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.119 1.368 . . . . 0.0 111.187 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.58 -42.18 82.96 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.193 1.797 . . . . 0.0 109.932 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.19 0 CA-C-N 119.224 0.92 . . . . 0.0 112.095 -179.172 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -56.4 -37.15 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 124.245 1.018 . . . . 0.0 111.134 -174.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.05 71.38 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.47 70.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.382 0.591 . . . . 0.0 111.174 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.81 -42.47 81.49 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 119.356 0.98 . . . . 0.0 109.579 168.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.45 -49.7 62.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.041 0.448 . . . . 0.0 111.75 -167.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.32 -18.95 37.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.192 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -81.29 1.55 Allowed Glycine 0 C--N 1.339 0.716 0 O-C-N 123.477 0.486 . . . . 0.0 112.086 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.26 -49.02 73.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.503 1.521 . . . . 0.0 111.814 -176.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.15 -47.48 35.64 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 126.309 1.843 . . . . 0.0 110.022 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.101 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.76 -170.615 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.73 -33.91 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 124.086 0.955 . . . . 0.0 110.64 -176.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.0 -33.01 82.48 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -30.59 69.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.382 0.673 . . . . 0.0 111.032 175.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.01 -41.71 81.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 109.295 167.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.7 -49.49 65.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.257 0.551 . . . . 0.0 111.918 -170.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.53 -23.45 42.86 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.882 175.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.13 -79.14 1.37 Allowed Glycine 0 C--N 1.337 0.632 0 O-C-N 123.612 0.57 . . . . 0.0 112.671 -167.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -56.78 -49.04 76.5 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.674 1.59 . . . . 0.0 111.809 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.63 -42.84 73.77 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.11 1.764 . . . . 0.0 109.965 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.288 0 CA-C-N 118.82 0.736 . . . . 0.0 112.043 -177.668 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.408 0 CA-C-O 122.295 0.942 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.67 -33.9 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.228 1.011 . . . . 0.0 110.405 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.68 -31.75 79.37 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.644 0.64 . . . . 0.0 111.709 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.0 73.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.82 0.81 . . . . 0.0 110.737 173.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -67.98 -40.45 83.13 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.003 0.819 . . . . 0.0 109.32 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.1 -49.47 67.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.254 1.026 . . . . 0.0 112.092 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.33 -36.1 68.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.93 -73.14 1.05 Allowed Glycine 0 N--CA 1.462 0.422 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.45 -160.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.07 -49.02 79.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.084 1.354 . . . . 0.0 111.368 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -67.55 -43.26 81.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.376 1.87 . . . . 0.0 110.175 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 CA-C-N 119.255 0.934 . . . . 0.0 112.194 -177.759 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.403 0 CA-C-O 122.523 1.068 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.3 mm -60.46 -31.86 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.37 -28.64 72.33 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.085 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.88 73.27 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 118.548 1.174 . . . . 0.0 110.478 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.15 -39.83 82.55 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.895 0.77 . . . . 0.0 109.257 170.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.58 -49.65 62.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.135 -0.353 . . . . 0.0 111.574 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.16 -20.77 44.08 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.145 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -80.38 1.47 Allowed Glycine 0 N--CA 1.465 0.583 0 O-C-N 123.471 0.482 . . . . 0.0 112.696 -169.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.82 -48.85 74.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.323 1.849 . . . . 0.0 111.559 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -73.36 -45.67 53.62 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.113 1.765 . . . . 0.0 110.254 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 CA-C-N 119.168 0.895 . . . . 0.0 113.133 -172.953 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.48 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.75 -34.24 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.85 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.65 -14.53 75.21 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.758 1.647 . . . . 0.0 113.893 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.2 60.01 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 120.004 1.902 . . . . 0.0 109.178 159.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.53 -35.98 81.13 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.584 0.754 . . . . 0.0 110.289 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.99 -49.47 72.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.241 1.016 . . . . 0.0 112.257 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -21.31 31.68 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.248 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.51 -77.11 1.23 Allowed Glycine 0 C--O 1.224 -0.521 0 O-C-N 123.525 0.516 . . . . 0.0 111.931 -163.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.97 -49.28 73.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.943 1.297 . . . . 0.0 111.176 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.57 -44.56 86.37 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.723 1.609 . . . . 0.0 109.806 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.121 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.919 -178.356 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.423 0 CA-C-O 122.063 0.813 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mm -54.42 -35.58 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.364 1.466 . . . . 0.0 111.091 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.8 -30.57 70.37 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.26 79.55 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 117.463 0.632 . . . . 0.0 110.666 171.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.78 -41.42 97.95 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.092 0.86 . . . . 0.0 109.776 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.1 -49.57 75.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.921 0.488 . . . . 0.0 111.424 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -81.05 -24.1 38.09 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.468 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.79 1.27 Allowed Glycine 0 C--O 1.225 -0.465 0 C-N-CA 123.822 0.725 . . . . 0.0 112.192 -166.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.62 -49.27 78.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.242 1.417 . . . . 0.0 111.511 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.91 -42.79 80.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.711 1.604 . . . . 0.0 109.807 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.247 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.209 -177.813 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.525 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.21 -34.15 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.17 -29.17 70.64 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.417 -0.657 . . . . 0.0 111.977 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.78 74.76 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.951 0.875 . . . . 0.0 110.523 172.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.51 -40.06 85.13 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 119.166 0.894 . . . . 0.0 109.434 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.53 -49.45 68.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.301 1.048 . . . . 0.0 112.197 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -71.64 -36.95 70.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.57 -70.91 0.96 Allowed Glycine 0 N--CA 1.463 0.435 0 CA-C-N 115.322 -0.853 . . . . 0.0 112.831 -159.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.45 -49.25 76.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 111.169 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.41 -41.32 85.08 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 126.266 1.827 . . . . 0.0 110.008 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.18 0 CA-C-N 119.067 0.848 . . . . 0.0 112.077 179.514 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-O 122.521 1.067 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.97 -34.79 64.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.821 0.82 . . . . 0.0 109.958 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.58 -14.04 74.79 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 118.163 -1.354 . . . . 0.0 114.035 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.47 74.62 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 120.15 1.975 . . . . 0.0 110.033 160.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.74 -36.89 85.35 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.2 0.6 . . . . 0.0 109.483 -177.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -58.67 -49.7 76.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.597 0.759 . . . . 0.0 111.86 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.17 -24.48 30.15 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.913 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.88 -78.12 1.3 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 124.102 0.858 . . . . 0.0 111.633 -166.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.87 -49.12 78.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.28 1.432 . . . . 0.0 111.341 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.57 -44.78 77.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.531 1.532 . . . . 0.0 110.011 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.112 -175.069 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.476 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.47 -34.53 58.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 123.973 0.909 . . . . 0.0 109.895 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.56 -15.58 75.46 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.748 1.642 . . . . 0.0 114.024 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -45.95 69.0 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.961 1.88 . . . . 0.0 109.838 160.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.9 -35.24 77.78 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.529 0.732 . . . . 0.0 109.647 -177.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.9 -49.75 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.494 0.718 . . . . 0.0 111.783 -178.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pp -84.06 -23.77 30.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.561 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.61 -74.26 1.06 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 124.289 0.947 . . . . 0.0 111.872 -166.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.68 -49.38 66.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.796 1.238 . . . . 0.0 111.154 -174.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.57 -42.69 86.64 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.935 1.694 . . . . 0.0 109.559 174.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.103 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.665 -177.623 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.446 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.6 mm -56.33 -35.52 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.47 1.108 . . . . 0.0 110.87 -175.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.89 -28.49 70.55 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.252 -0.749 . . . . 0.0 111.567 -177.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.33 74.0 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 118.149 0.974 . . . . 0.0 110.727 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.86 -42.2 81.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.972 0.805 . . . . 0.0 109.544 172.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -66.48 -49.64 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -172.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -81.62 -24.0 36.66 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.91 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -76.64 1.18 Allowed Glycine 0 C--N 1.336 0.576 0 O-C-N 123.688 0.617 . . . . 0.0 111.804 -167.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.03 -49.16 78.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.205 1.002 . . . . 0.0 111.608 -175.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.54 -44.97 77.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.053 1.741 . . . . 0.0 109.855 174.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.269 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.222 -175.647 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.491 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.25 -37.06 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.058 0.943 . . . . 0.0 109.938 -178.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.67 -15.77 75.77 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.008 1.29 . . . . 0.0 113.828 177.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.71 74.25 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.099 1.949 . . . . 0.0 109.788 161.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.11 -35.88 81.75 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.451 0.7 . . . . 0.0 109.742 -177.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -59.55 -49.8 76.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.871 0.468 . . . . 0.0 111.636 -177.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.03 -20.83 32.06 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.467 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.05 1.22 Allowed Glycine 0 C--O 1.226 -0.397 0 C-N-CA 124.486 1.041 . . . . 0.0 111.782 -167.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -64.6 -49.24 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.69 1.596 . . . . 0.0 111.059 -174.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.11 -44.09 73.14 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.85 1.66 . . . . 0.0 109.717 174.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.083 0 CA-C-O 119.191 -0.783 . . . . 0.0 111.89 -175.047 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.529 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -55.41 -35.86 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.815 1.246 . . . . 0.0 110.868 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -29.74 69.02 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.336 -0.702 . . . . 0.0 111.683 -177.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.84 74.86 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 117.987 0.893 . . . . 0.0 110.803 172.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.34 -42.06 84.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 118.876 0.762 . . . . 0.0 109.357 172.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -66.35 -49.76 65.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.346 -173.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.49 -23.72 42.79 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.17 -79.75 1.42 Allowed Glycine 0 C--N 1.335 0.481 0 O-C-N 123.64 0.587 . . . . 0.0 111.997 -168.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -56.59 -49.12 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 111.623 -175.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -70.8 -47.07 61.42 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.183 1.793 . . . . 0.0 110.044 173.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 CA-C-O 119.266 -0.741 . . . . 0.0 112.725 -171.166 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.349 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mm -59.59 -36.44 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.669 0.787 . . . . 0.0 110.009 -177.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -15.69 75.59 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 125.417 1.485 . . . . 0.0 113.734 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.51 57.69 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.744 1.772 . . . . 0.0 109.196 160.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.03 -35.38 78.42 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.63 0.772 . . . . 0.0 110.516 -174.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.54 -49.59 70.65 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.669 1.188 . . . . 0.0 112.222 -169.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.52 -20.68 31.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.91 173.14 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.49 -76.73 1.21 Allowed Glycine 0 C--O 1.224 -0.508 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 -163.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.02 -49.27 75.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.824 1.249 . . . . 0.0 110.949 -177.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.13 -45.65 84.16 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.177 1.391 . . . . 0.0 109.863 176.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.225 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.23 -177.722 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.481 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -61.16 -34.59 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.925 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.53 -15.3 75.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.836 1.684 . . . . 0.0 113.704 176.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.0 64.1 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.817 1.809 . . . . 0.0 109.522 160.212 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.66 -35.26 79.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.848 0.859 . . . . 0.0 110.003 -176.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -62.43 -49.32 75.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.656 1.182 . . . . 0.0 111.88 -173.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -83.88 -20.9 32.26 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.495 175.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.81 -78.54 1.33 Allowed Glycine 0 C--N 1.335 0.482 0 O-C-N 123.623 0.577 . . . . 0.0 112.112 -165.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.24 -49.08 78.57 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.821 1.649 . . . . 0.0 111.281 -177.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -66.73 -43.73 83.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.424 1.489 . . . . 0.0 109.873 175.529 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.274 0 CA-C-O 119.49 -0.617 . . . . 0.0 112.045 -178.474 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.391 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.9 mm -55.75 -35.89 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.757 1.223 . . . . 0.0 110.921 -174.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.95 68.84 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -177.219 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.42 75.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.83 0.815 . . . . 0.0 110.616 173.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.32 -42.73 83.13 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 118.898 0.772 . . . . 0.0 109.338 172.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -65.43 -49.59 68.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.643 -172.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.91 -23.87 38.63 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.163 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.09 -78.42 1.31 Allowed Glycine 0 C--N 1.336 0.56 0 O-C-N 123.615 0.572 . . . . 0.0 111.752 -167.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -58.39 -49.33 77.63 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.784 1.234 . . . . 0.0 111.633 -175.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.55 -44.63 74.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.175 1.79 . . . . 0.0 110.08 175.489 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.236 0 CA-C-O 119.509 -0.606 . . . . 0.0 111.911 -175.491 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.1 mm -56.17 -36.84 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.183 0.993 . . . . 0.0 111.511 -174.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.03 69.59 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.52 72.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.588 0.694 . . . . 0.0 111.32 173.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.58 -42.13 83.02 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.272 0.942 . . . . 0.0 109.682 169.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -67.18 -49.73 63.56 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.293 -172.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.63 -23.28 45.95 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.743 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.15 -79.01 1.35 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.209 -169.314 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.25 -48.9 77.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.533 1.533 . . . . 0.0 111.524 -175.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.03 -43.88 64.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.275 1.83 . . . . 0.0 110.313 173.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.134 0 CA-C-N 118.996 0.817 . . . . 0.0 112.422 -174.435 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.415 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.86 -34.04 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.229 1.012 . . . . 0.0 110.397 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.13 73.1 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 123.572 0.606 . . . . 0.0 111.974 179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.61 74.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.018 0.909 . . . . 0.0 111.169 171.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -67.92 -39.39 83.54 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.964 0.802 . . . . 0.0 109.151 172.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.42 -50.13 66.61 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.126 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.25 -37.22 83.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.989 0.899 . . . . 0.0 108.96 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -70.4 0.88 Allowed Glycine 0 CA--C 1.519 0.32 0 CA-C-N 114.175 -1.375 . . . . 0.0 112.072 -162.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.55 -49.19 74.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.024 1.33 . . . . 0.0 111.175 -176.001 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tp -69.42 -43.85 72.56 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 126.032 1.733 . . . . 0.0 109.69 173.319 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 CA-C-N 119.785 1.175 . . . . 0.0 111.979 -175.333 . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.411 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 030 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.82 -36.42 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 125.148 1.379 . . . . 0.0 110.374 -174.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.17 -34.82 81.86 Favored Glycine 0 C--N 1.341 0.841 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -177.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.99 73.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.308 0.643 . . . . 0.0 111.013 176.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.92 -44.83 75.95 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 109.783 170.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -65.82 -49.69 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.243 -169.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.83 -20.62 32.88 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.661 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.02 -82.78 1.68 Allowed Glycine 0 C--N 1.336 0.571 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -171.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -51.64 -48.51 63.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.091 1.356 . . . . 0.0 111.897 -176.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.74 -52.55 8.22 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.412 1.485 . . . . 0.0 110.213 171.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 CA-C-O 118.74 -1.033 . . . . 0.0 114.096 -163.705 . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 031 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.84 -31.63 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.73 0.776 . . . . 0.0 109.568 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.4 -15.8 75.24 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.729 1.633 . . . . 0.0 113.287 176.623 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.83 72.53 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.585 1.693 . . . . 0.0 109.595 161.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.15 -39.87 90.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -175.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -57.91 -49.55 76.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.812 0.815 . . . . 0.0 112.397 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.88 -36.85 49.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.876 -177.195 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.9 -71.8 0.96 Allowed Glycine 0 C--O 1.226 -0.356 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.827 -161.432 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -60.52 -49.02 79.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.441 1.097 . . . . 0.0 111.035 -176.418 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.84 -47.12 72.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.808 1.643 . . . . 0.0 110.048 172.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 CA-C-N 119.083 0.856 . . . . 0.0 112.501 -173.319 . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.461 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 032 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.26 -32.91 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 123.85 0.86 . . . . 0.0 109.679 178.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.46 -17.01 75.94 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.613 1.578 . . . . 0.0 113.512 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.17 72.23 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.724 1.762 . . . . 0.0 109.346 162.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.25 -38.87 92.85 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 123.326 0.65 . . . . 0.0 109.353 -177.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -58.34 -49.77 76.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 122.015 0.912 . . . . 0.0 111.866 178.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.44 -36.55 63.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.032 -176.041 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -69.04 0.84 Allowed Glycine 0 CA--C 1.523 0.544 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.793 -163.657 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -66.75 -49.23 66.64 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 110.991 -174.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.63 -40.96 93.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.815 1.646 . . . . 0.0 109.56 170.192 . . . . . . . . 1 1 . 1 . 032 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.13 0 CA-C-N 119.135 0.879 . . . . 0.0 112.417 -176.243 . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.329 0 CA-C-O 122.317 0.954 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 033 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.41 -35.29 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 110.476 -177.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.88 73.89 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -178.208 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.84 76.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 117.417 0.608 . . . . 0.0 110.784 173.681 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.19 -42.79 88.37 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 118.953 0.797 . . . . 0.0 109.422 172.599 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -65.41 -49.65 68.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.163 -172.445 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.44 -23.09 46.75 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.465 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.21 -81.91 1.6 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 123.388 0.518 . . . . 0.0 112.446 -168.708 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -53.16 -48.92 67.58 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.366 1.866 . . . . 0.0 111.516 -177.303 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -73.92 -48.38 31.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 126.039 1.736 . . . . 0.0 110.186 173.616 . . . . . . . . 1 1 . 1 . 033 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 CA-C-O 119.202 -0.777 . . . . 0.0 112.632 -168.464 . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.439 0 CA-C-O 122.631 1.128 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 034 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.4 mm -61.11 -35.89 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.962 0.905 . . . . 0.0 109.935 -178.289 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.68 -14.58 75.31 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.032 -1.426 . . . . 0.0 113.999 176.463 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -43.23 75.37 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 120.375 2.088 . . . . 0.0 109.68 161.461 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.83 -37.49 87.0 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.292 0.637 . . . . 0.0 109.327 -178.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -60.94 -50.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 0.0 111.294 -174.12 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.22 -19.34 34.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.775 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.01 -74.75 1.07 Allowed Glycine 0 C--O 1.224 -0.492 0 C-N-CA 124.389 0.995 . . . . 0.0 111.869 -168.316 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.84 -49.31 66.15 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.607 1.563 . . . . 0.0 110.95 -176.264 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.77 -40.01 63.77 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.493 1.917 . . . . 0.0 109.727 175.166 . . . . . . . . 1 1 . 1 . 034 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.22 0 CA-C-O 118.891 -0.949 . . . . 0.0 112.64 178.913 . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.324 0 CA-C-O 122.859 1.255 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 035 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -57.84 -33.85 46.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.749 1.22 . . . . 0.0 110.346 -178.293 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.71 83.03 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -32.73 72.8 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 117.444 0.622 . . . . 0.0 111.438 174.111 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.63 -43.94 75.28 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 119.069 0.849 . . . . 0.0 110.189 171.595 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.32 -49.69 70.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.526 -171.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.65 -38.54 47.52 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.052 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.0 -72.22 1.12 Allowed Glycine 0 N--CA 1.462 0.393 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -160.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -55.24 -48.81 73.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.686 0.794 . . . . 0.0 111.271 -178.318 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.09 -50.99 23.67 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.476 1.51 . . . . 0.0 110.804 175.682 . . . . . . . . 1 1 . 1 . 035 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 CA-C-N 119.724 1.147 . . . . 0.0 113.535 -173.785 . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.527 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 036 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.09 -34.5 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.995 0.918 . . . . 0.0 110.833 -176.44 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.14 -31.47 74.89 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.924 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.54 -31.67 71.07 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.923 0.861 . . . . 0.0 111.006 172.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.55 -40.72 84.99 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.174 0.897 . . . . 0.0 109.104 169.391 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -66.66 -49.37 66.38 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.129 0.572 . . . . 0.0 111.816 -170.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 pp -77.98 -23.75 48.3 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.002 175.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.14 -80.77 1.5 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.687 0.617 . . . . 0.0 112.682 -166.783 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.94 -48.95 74.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.25 1.82 . . . . 0.0 111.731 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 tp -69.43 -44.3 71.62 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.114 1.766 . . . . 0.0 110.03 174.141 . . . . . . . . 1 1 . 1 . 036 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.253 0 CA-C-N 118.788 0.722 . . . . 0.0 112.143 -175.507 . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 037 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.86 -38.56 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.786 1.235 . . . . 0.0 111.09 -174.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.2 -29.03 69.11 Favored Glycine 0 C--N 1.34 0.751 0 CA-C-O 119.344 -0.698 . . . . 0.0 111.606 -177.311 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.14 73.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 117.821 0.81 . . . . 0.0 110.855 172.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -66.21 -41.03 90.7 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.496 1.044 . . . . 0.0 109.488 169.574 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -67.61 -49.47 62.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 111.887 -169.71 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.47 -23.47 43.04 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.662 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.1 -78.7 1.33 Allowed Glycine 0 C--N 1.338 0.639 0 O-C-N 123.697 0.623 . . . . 0.0 112.444 -166.418 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.97 -49.18 77.69 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.166 1.387 . . . . 0.0 111.564 -177.385 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.75 -44.39 73.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.049 1.739 . . . . 0.0 110.031 175.29 . . . . . . . . 1 1 . 1 . 037 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.159 0 CA-C-O 119.483 -0.621 . . . . 0.0 112.028 -176.121 . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.465 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 038 nuclear orig core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.1 mm -57.81 -33.5 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.138 0.975 . . . . 0.0 110.499 -178.487 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.26 -32.02 80.83 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.996 0.808 . . . . 0.0 111.806 178.827 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.33 73.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.729 0.764 . . . . 0.0 111.428 172.329 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.46 -41.6 84.39 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 119.046 0.839 . . . . 0.0 108.931 172.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.85 -49.71 73.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.736 0.779 . . . . 0.0 111.873 -177.364 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -69.75 -38.41 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.126 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.57 -73.88 1.04 Allowed Glycine 0 C--O 1.227 -0.34 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.291 -159.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.1 -49.06 78.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.046 1.339 . . . . 0.0 111.19 -177.374 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tp -68.61 -48.21 64.71 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 126.712 2.005 . . . . 0.0 109.866 173.227 . . . . . . . . 1 1 . 1 . 038 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 CA-C-N 119.133 0.879 . . . . 0.0 112.588 -172.392 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 117.812 -1.089 . . . . 0.0 108.15 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.4 t -139.83 -72.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 118.762 0.71 . . . . 0.0 110.959 -171.663 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.4 -112.19 0.54 Allowed Glycine 0 C--N 1.339 0.74 0 C-N-CA 124.975 1.274 . . . . 0.0 110.587 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.04 -34.07 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.136 0.974 . . . . 0.0 110.388 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.79 84.63 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.006 0.812 . . . . 0.0 111.813 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.49 72.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 117.88 0.84 . . . . 0.0 110.941 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.28 -39.31 82.18 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.352 0.978 . . . . 0.0 109.398 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.15 -49.46 67.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.22 1.009 . . . . 0.0 112.257 -173.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -72.39 -36.67 68.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.71 -71.28 0.97 Allowed Glycine 0 N--CA 1.463 0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.706 -160.733 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.07 -49.22 78.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.045 1.338 . . . . 0.0 111.165 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.54 -43.47 80.66 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.898 1.679 . . . . 0.0 110.011 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.54 -31.26 73.49 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 119.314 0.961 . . . . 0.0 112.422 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.76 88.49 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.962 1.381 . . . . 0.0 111.078 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.22 15.21 1.24 Allowed 'General case' 0 C--O 1.233 0.203 0 N-CA-C 113.52 0.934 . . . . 0.0 113.52 169.26 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.4 41.97 1.41 Allowed Glycine 0 CA--C 1.526 0.727 0 C-N-CA 125.199 1.38 . . . . 0.0 111.115 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m -69.43 -13.23 62.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.515 1.126 . . . . 0.0 112.712 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -90.16 143.97 26.29 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.421 1.088 . . . . 0.0 109.351 169.22 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.7 t -43.94 -32.49 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 125.244 1.418 . . . . 0.0 112.085 159.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.71 39.59 1.54 Allowed Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.348 0.975 . . . . 0.0 113.278 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.94 176.96 10.94 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.368 1.467 . . . . 0.0 109.943 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.11 69.0 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.31 1.044 . . . . 0.0 113.287 -174.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 t -77.49 -9.57 58.98 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.14 -1.41 . . . . 0.0 113.751 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.831 -1.538 . . . . 0.0 112.823 -175.815 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.1 t 66.27 -68.0 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 128.308 2.643 . . . . 0.0 113.784 166.545 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.13 -112.39 0.52 Allowed Glycine 0 C--N 1.335 0.483 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 172.474 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.82 -34.85 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.137 0.975 . . . . 0.0 110.867 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.11 71.34 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.413 -0.659 . . . . 0.0 111.972 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.88 76.96 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 117.892 0.846 . . . . 0.0 110.27 172.123 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.91 -39.89 83.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 118.863 0.756 . . . . 0.0 109.793 171.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.56 -49.47 66.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.117 0.961 . . . . 0.0 112.087 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.01 -36.96 67.12 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.46 -74.92 1.23 Allowed Glycine 0 N--CA 1.462 0.391 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.034 -160.66 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.02 -49.08 78.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.233 1.413 . . . . 0.0 111.207 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.67 -48.21 64.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.042 1.737 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.71 -28.57 73.03 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 119.097 0.862 . . . . 0.0 112.587 -173.714 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.64 87.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.8 1.3 . . . . 0.0 111.156 169.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.416 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.97 15.27 1.51 Allowed 'General case' 0 C--N 1.34 0.185 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 170.187 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.12 35.22 1.08 Allowed Glycine 0 CA--C 1.53 0.996 0 C-N-CA 125.144 1.354 . . . . 0.0 112.192 -174.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 15' ' ' ALA . 14.5 m -63.86 -37.81 88.76 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.879 1.272 . . . . 0.0 110.164 -179.791 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -73.62 88.7 1.7 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 161.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 m -43.46 122.17 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.779 1.232 . . . . 0.0 110.206 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.39 -11.42 79.85 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.266 -1.297 . . . . 0.0 115.588 -156.445 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 50.64 15.24 0.21 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.52 2.328 . . . . 0.0 116.206 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.16 82.46 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.768 -1.208 . . . . 0.0 112.922 -168.615 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t -79.3 -9.6 59.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.922 1.289 . . . . 0.0 113.041 171.823 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.61 0 N-CA-C 106.511 -2.635 . . . . 0.0 106.511 -138.495 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -134.18 -74.86 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.521 0.601 . . . . 0.0 111.609 -171.707 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.5 -115.36 0.59 Allowed Glycine 0 C--N 1.339 0.743 0 C-N-CA 124.736 1.16 . . . . 0.0 111.015 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.0 -33.41 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.394 1.078 . . . . 0.0 110.478 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.44 -32.16 78.51 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.28 75.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.312 0.556 . . . . 0.0 110.27 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.93 -40.43 83.32 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.619 0.645 . . . . 0.0 109.829 171.233 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.67 -49.49 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.555 0.742 . . . . 0.0 111.706 -168.244 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pp -80.51 -22.5 40.89 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.68 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.99 -80.23 1.46 Allowed Glycine 0 C--N 1.337 0.616 0 O-C-N 123.605 0.566 . . . . 0.0 112.542 -165.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.43 -48.99 77.68 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.796 1.638 . . . . 0.0 111.675 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.67 -46.38 72.52 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.024 1.73 . . . . 0.0 109.8 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -27.66 73.66 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 119.278 -0.734 . . . . 0.0 112.46 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.56 -34.19 76.45 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.912 1.356 . . . . 0.0 111.496 169.753 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 15.59 1.38 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 169.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.1 53.02 2.6 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 125.193 1.378 . . . . 0.0 111.133 -175.208 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.6 t -63.79 159.35 19.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.556 0.742 . . . . 0.0 109.347 168.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.0 m -68.02 -21.93 65.0 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.786 -0.571 . . . . 0.0 110.732 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -43.85 -33.88 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 124.685 1.194 . . . . 0.0 112.306 161.465 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.05 11.02 69.84 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.509 1.528 . . . . 0.0 114.351 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.57 46.97 0.09 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.863 1.831 . . . . 0.0 113.372 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.77 -29.94 70.93 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.701 -1.25 . . . . 0.0 112.093 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -78.98 -9.66 59.59 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.944 1.298 . . . . 0.0 112.997 171.362 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 116.745 -2.142 . . . . 0.0 107.884 -138.817 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 116.675 -1.631 . . . . 0.0 108.813 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -118.91 -53.76 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 120.367 1.44 . . . . 0.0 113.456 -161.268 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.34 -115.57 0.58 Allowed Glycine 0 C--N 1.341 0.856 0 CA-C-O 122.542 1.079 . . . . 0.0 110.632 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.69 -31.19 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.523 0.729 . . . . 0.0 109.717 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.33 -16.91 75.68 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.457 1.503 . . . . 0.0 113.245 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.42 77.58 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.632 1.716 . . . . 0.0 109.682 162.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.84 -37.55 84.69 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.12 -49.76 68.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.174 0.988 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.93 -36.6 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.168 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.88 -72.92 1.07 Allowed Glycine 0 C--O 1.226 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.178 -159.691 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.16 -49.17 78.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.38 1.472 . . . . 0.0 111.181 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.47 -40.95 73.36 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.281 1.833 . . . . 0.0 110.211 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.6 -34.08 77.87 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-N 119.053 0.842 . . . . 0.0 111.851 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.24 71.43 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.731 1.266 . . . . 0.0 111.576 170.314 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.406 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.44 15.29 1.3 Allowed 'General case' 0 C--N 1.341 0.213 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 170.153 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.1 39.78 1.19 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.479 1.514 . . . . 0.0 111.673 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.406 ' H ' ' C ' ' A' ' 15' ' ' ALA . 35.5 t -65.34 -32.64 74.39 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.27 1.028 . . . . 0.0 110.375 171.497 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -89.9 133.79 34.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 161.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.9 t -43.93 -42.41 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.876 1.27 . . . . 0.0 111.201 160.532 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.73 41.11 2.52 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.38 0.99 . . . . 0.0 112.824 -174.435 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.01 148.87 35.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.99 0.895 . . . . 0.0 110.013 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.29 -27.57 68.57 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.099 0.959 . . . . 0.0 112.742 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -66.5 -9.96 39.84 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 116.75 -1.595 . . . . 0.0 114.222 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.049 -1.973 . . . . 0.0 110.288 -179.114 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.71 -15.93 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.908 2.083 . . . . 0.0 112.664 -170.309 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.19 -103.75 0.51 Allowed Glycine 0 CA--C 1.52 0.369 0 C-N-CA 125.797 1.665 . . . . 0.0 110.594 169.254 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.97 -37.27 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.719 1.208 . . . . 0.0 110.786 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.79 -32.01 67.07 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.29 -30.96 70.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.481 0.64 . . . . 0.0 111.324 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.46 -41.85 83.97 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.642 1.11 . . . . 0.0 109.626 167.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -68.12 -49.59 60.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.131 0.491 . . . . 0.0 111.943 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -80.55 -21.75 41.47 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.801 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.06 -81.17 1.54 Allowed Glycine 0 C--N 1.339 0.735 0 O-C-N 123.604 0.565 . . . . 0.0 111.888 -168.695 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.13 -49.01 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.345 1.458 . . . . 0.0 111.707 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.52 -49.39 33.12 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.283 1.833 . . . . 0.0 110.229 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -31.13 73.4 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 118.663 0.665 . . . . 0.0 112.579 -170.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.96 76.01 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.36 1.08 . . . . 0.0 111.271 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.413 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.94 15.22 1.51 Allowed 'General case' 0 C--N 1.341 0.199 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 172.524 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.24 38.09 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.566 1.079 . . . . 0.0 111.641 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.413 ' H ' ' C ' ' A' ' 15' ' ' ALA . 15.1 m -73.78 47.06 0.24 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.225 2.21 . . . . 0.0 112.354 -177.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 t -74.13 -173.71 1.71 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.775 1.23 . . . . 0.0 110.165 170.584 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 m -43.62 -52.21 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.078 1.351 . . . . 0.0 112.236 172.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.32 74.99 2.07 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 167.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 108.37 0.99 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.484 1.114 . . . . 0.0 111.938 -169.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.22 69.38 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.652 0.781 . . . . 0.0 111.96 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 p -66.26 -19.48 65.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.054 1.342 . . . . 0.0 113.518 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.597 0 CA-C-O 118.208 -1.329 . . . . 0.0 110.222 -141.819 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 117.722 -1.132 . . . . 0.0 107.998 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.9 t -139.92 -75.05 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 118.7 0.682 . . . . 0.0 110.845 -172.057 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.52 -111.86 0.55 Allowed Glycine 0 C--N 1.339 0.702 0 C-N-CA 125.701 1.62 . . . . 0.0 111.025 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.91 -33.61 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.228 1.011 . . . . 0.0 110.467 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.75 -32.25 82.36 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 123.972 0.796 . . . . 0.0 111.738 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.83 72.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.678 0.739 . . . . 0.0 111.07 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.91 -39.92 83.49 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 119.376 0.989 . . . . 0.0 109.194 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.15 -49.36 72.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.41 1.1 . . . . 0.0 112.166 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.26 -37.72 69.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.49 -69.77 0.92 Allowed Glycine 0 C--O 1.224 -0.484 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.742 -158.859 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.59 -49.24 74.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 tp -66.6 -41.88 87.76 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.103 1.761 . . . . 0.0 109.719 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -36.52 84.76 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.859 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.18 88.51 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.923 1.361 . . . . 0.0 111.084 170.342 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 15.26 0.51 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.07 40.59 1.23 Allowed Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.177 1.37 . . . . 0.0 111.706 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.9 t -64.12 129.77 41.31 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 171.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 p -68.22 -21.37 64.85 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.223 1.009 . . . . 0.0 112.714 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 t -44.05 -49.57 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.033 1.333 . . . . 0.0 111.876 159.083 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.44 -149.79 26.18 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 126.496 1.998 . . . . 0.0 111.045 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 65.57 -57.15 0.32 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 128.561 2.744 . . . . 0.0 112.731 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.03 98.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.763 0.825 . . . . 0.0 111.323 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 p -78.77 -10.08 59.66 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.518 1.927 . . . . 0.0 113.695 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.473 0 N-CA-C 106.46 -2.656 . . . . 0.0 106.46 -138.505 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 118.789 -0.624 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 3.0 t -33.87 -19.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 1 C-N-CA 135.221 5.408 . . . . 0.0 118.096 -166.808 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.79 -104.42 0.47 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 164.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -55.48 -36.68 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.331 1.052 . . . . 0.0 111.291 -174.52 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.53 -30.18 69.11 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-O 119.491 -0.616 . . . . 0.0 111.565 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.26 75.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.638 0.719 . . . . 0.0 110.543 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.5 -40.6 85.19 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 118.949 0.795 . . . . 0.0 109.882 170.326 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.41 -49.49 63.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.165 0.983 . . . . 0.0 112.207 -170.636 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.19 -35.9 69.07 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.97 -74.55 1.15 Allowed Glycine 0 N--CA 1.463 0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.295 -160.559 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.51 -48.95 79.12 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.005 1.322 . . . . 0.0 111.369 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.74 -47.36 69.5 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.294 1.838 . . . . 0.0 110.03 173.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.57 -27.33 73.88 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 119.286 0.948 . . . . 0.0 112.476 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -30.76 70.68 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.752 1.276 . . . . 0.0 111.836 169.601 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.01 15.18 1.55 Allowed 'General case' 0 C--N 1.342 0.251 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 171.001 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.2 45.08 1.69 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.31 1.433 . . . . 0.0 111.092 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -68.51 -35.8 78.0 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.981 1.312 . . . . 0.0 110.171 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -90.05 162.38 15.37 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.291 0.636 . . . . 0.0 109.568 167.104 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.0 m -43.91 133.96 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 125.512 1.525 . . . . 0.0 111.972 170.531 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.71 146.89 18.35 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.27 96.01 1.78 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -28.19 69.03 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.571 0.748 . . . . 0.0 112.354 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -69.73 -16.05 63.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.788 1.635 . . . . 0.0 113.77 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 CA-C-O 116.566 -2.241 . . . . 0.0 109.805 -141.671 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 116.826 -1.559 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 t -118.75 -53.5 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 120.17 1.35 . . . . 0.0 113.362 -160.199 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -115.66 0.57 Allowed Glycine 0 C--N 1.341 0.846 0 CA-C-O 122.56 1.089 . . . . 0.0 110.619 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.49 -31.26 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.605 0.717 . . . . 0.0 109.749 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.28 -16.88 75.58 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.187 1.851 . . . . 0.0 113.148 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.82 -45.95 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 119.467 1.634 . . . . 0.0 109.513 162.059 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.4 -38.01 89.54 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 123.419 0.688 . . . . 0.0 109.764 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -60.49 -49.06 79.06 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.339 1.456 . . . . 0.0 112.532 -175.371 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -76.3 -38.55 55.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.106 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.28 -67.47 0.9 Allowed Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.662 -157.357 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -67.07 -49.19 65.91 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.925 1.29 . . . . 0.0 110.618 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 tp -63.9 -42.98 97.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.702 1.601 . . . . 0.0 109.808 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -35.37 81.28 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.034 -0.87 . . . . 0.0 112.263 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.5 93.24 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.232 1.516 . . . . 0.0 110.818 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.45 15.78 0.73 Allowed 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.24 52.58 2.61 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.574 1.083 . . . . 0.0 110.418 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.3 p -64.07 143.79 57.6 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.142 0.577 . . . . 0.0 110.302 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -68.47 -48.76 63.64 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.7 m -44.13 114.41 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.432 0.693 . . . . 0.0 111.299 154.234 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.41 -175.61 37.31 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.912 1.244 . . . . 0.0 110.007 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.59 -176.28 4.17 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.591 1.556 . . . . 0.0 110.226 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.16 69.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.389 0.676 . . . . 0.0 111.902 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t -76.76 -9.99 59.06 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 117.046 -1.454 . . . . 0.0 113.623 175.339 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.145 -1.919 . . . . 0.0 109.765 -169.609 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.5 t 66.41 -70.22 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 128.5 2.72 . . . . 0.0 113.396 165.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.18 -112.8 0.52 Allowed Glycine 0 C--N 1.335 0.492 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.72 -35.57 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.049 0.94 . . . . 0.0 110.78 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.92 -27.88 71.51 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-O 119.362 -0.688 . . . . 0.0 111.931 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.42 76.08 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 117.842 0.821 . . . . 0.0 110.237 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.22 -41.4 81.35 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.033 0.833 . . . . 0.0 109.947 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.74 -49.51 68.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.363 1.077 . . . . 0.0 112.285 -168.532 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.66 -38.01 55.29 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.24 -71.73 1.15 Allowed Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.854 -160.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.58 -49.24 76.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.974 0.91 . . . . 0.0 111.614 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.87 -45.13 83.22 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.164 1.786 . . . . 0.0 109.759 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.67 -35.96 81.77 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.026 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.23 98.88 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.997 1.398 . . . . 0.0 110.629 170.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.42 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -78.91 15.15 1.15 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 171.352 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.49 43.76 1.61 Allowed Glycine 0 CA--C 1.527 0.782 0 C-N-CA 127.813 2.625 . . . . 0.0 112.649 -166.408 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.42 ' H ' ' C ' ' A' ' 15' ' ' ALA . 7.7 p -63.73 48.82 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 1 C-N-CA 134.129 4.972 . . . . 0.0 112.945 -172.687 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -74.62 112.4 10.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.641 2.376 . . . . 0.0 107.908 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -43.77 -47.93 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 125.663 1.585 . . . . 0.0 112.367 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.36 146.88 18.4 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.249 -1.141 . . . . 0.0 110.249 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 69.77 0.88 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.606 1.162 . . . . 0.0 111.085 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 -28.12 69.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.657 1.183 . . . . 0.0 112.102 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 p -65.13 -17.98 64.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.293 1.837 . . . . 0.0 114.003 172.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 CA-C-O 116.477 -2.291 . . . . 0.0 109.698 -141.259 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.0 t 68.07 -68.22 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 128.179 2.592 . . . . 0.0 113.521 165.418 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.21 -112.89 0.53 Allowed Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 172.574 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.5 mm -57.95 -34.19 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 123.844 0.858 . . . . 0.0 110.788 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -26.83 73.34 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.0 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.79 74.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 118.201 1.001 . . . . 0.0 110.494 171.109 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.17 -39.65 82.52 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.136 0.88 . . . . 0.0 109.85 171.626 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.15 -49.58 64.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.163 0.982 . . . . 0.0 112.236 -171.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.83 -36.64 64.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.3 -72.83 1.08 Allowed Glycine 0 N--CA 1.462 0.406 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.219 -160.535 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -59.38 -48.97 79.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.447 1.099 . . . . 0.0 111.347 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.97 -47.36 71.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.066 1.747 . . . . 0.0 110.106 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.69 -25.95 74.77 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 119.008 -0.884 . . . . 0.0 113.038 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.28 82.5 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.107 1.454 . . . . 0.0 111.032 169.148 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.458 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.9 15.52 1.42 Allowed 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 169.353 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.83 22.3 1.47 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.583 1.087 . . . . 0.0 112.674 -170.066 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.458 ' H ' ' C ' ' A' ' 15' ' ' ALA . 33.1 t -86.33 -3.9 59.07 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.345 -0.835 . . . . 0.0 111.743 156.051 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.8 t -70.13 -59.17 3.05 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.32 0.964 . . . . 0.0 109.701 179.428 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.0 m -44.13 130.64 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.464 0.706 . . . . 0.0 110.342 151.073 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.86 112.9 3.98 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 107.549 -2.221 . . . . 0.0 107.549 163.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.86 -174.36 3.64 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.644 1.578 . . . . 0.0 110.77 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -28.4 69.17 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.331 -0.856 . . . . 0.0 111.881 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -73.13 -12.78 61.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.609 1.163 . . . . 0.0 113.762 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -167.922 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 117.588 -1.196 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.3 t -137.91 -74.51 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 119.001 0.818 . . . . 0.0 111.561 -171.673 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.5 -113.25 0.56 Allowed Glycine 0 C--N 1.34 0.775 0 C-N-CA 125.117 1.342 . . . . 0.0 111.122 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -58.65 -33.31 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.992 0.917 . . . . 0.0 110.35 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.55 79.42 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.783 0.706 . . . . 0.0 111.721 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -32.06 71.61 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 117.881 0.841 . . . . 0.0 111.117 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.17 -41.4 81.55 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.224 0.92 . . . . 0.0 109.437 169.526 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -65.22 -49.45 69.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.341 1.067 . . . . 0.0 112.164 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.5 -40.42 66.88 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.02 -70.92 1.04 Allowed Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.14 -157.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.62 -49.2 78.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.276 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.83 -46.01 76.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 126.211 1.805 . . . . 0.0 109.876 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.64 -32.86 75.1 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-N 119.405 1.002 . . . . 0.0 112.493 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.29 96.64 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.119 1.46 . . . . 0.0 110.763 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.433 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.77 15.45 1.39 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 169.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.19 28.65 1.16 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.85 1.214 . . . . 0.0 112.212 -170.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.433 ' H ' ' C ' ' A' ' 15' ' ' ALA . 8.0 m -66.49 -19.79 65.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.177 1.391 . . . . 0.0 112.866 -175.449 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.8 p -89.94 -63.64 1.25 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.969 1.708 . . . . 0.0 111.003 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -43.83 151.23 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.765 2.026 . . . . 0.0 113.428 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.6 35.72 0.84 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.761 1.172 . . . . 0.0 112.966 170.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.95 21.36 2.47 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.165 2.186 . . . . 0.0 110.497 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.6 -28.37 69.31 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.24 -0.913 . . . . 0.0 112.507 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -78.92 -9.55 59.54 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.967 1.307 . . . . 0.0 113.078 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.475 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -138.974 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 117.663 -1.161 . . . . 0.0 108.129 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -140.29 -70.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.779 0.718 . . . . 0.0 111.134 -173.342 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.49 -112.12 0.55 Allowed Glycine 0 C--N 1.34 0.754 0 C-N-CA 125.286 1.422 . . . . 0.0 110.855 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.5 mm -58.29 -33.18 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 124.104 0.962 . . . . 0.0 110.553 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.16 -32.64 82.87 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 123.92 0.771 . . . . 0.0 111.686 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.828 0.814 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.77 -39.89 84.07 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.233 0.924 . . . . 0.0 109.048 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.97 -49.46 70.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.315 1.055 . . . . 0.0 112.198 -173.012 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.38 -36.78 71.55 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.27 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.64 -71.78 0.96 Allowed Glycine 0 N--CA 1.463 0.441 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.68 -159.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.49 -49.24 77.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.119 1.368 . . . . 0.0 111.187 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.58 -42.18 82.96 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.193 1.797 . . . . 0.0 109.932 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -35.51 82.09 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 119.224 0.92 . . . . 0.0 112.095 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.99 98.39 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.875 1.338 . . . . 0.0 110.738 170.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.431 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -78.44 15.44 0.99 Allowed 'General case' 0 C--O 1.233 0.229 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 171.122 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.17 29.71 1.14 Allowed Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.251 1.405 . . . . 0.0 112.503 -169.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.431 ' H ' ' C ' ' A' ' 15' ' ' ALA . 5.0 m -75.27 -67.15 0.68 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.663 1.185 . . . . 0.0 111.487 -168.055 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -90.63 -46.89 8.0 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.77 0.828 . . . . 0.0 111.889 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m -43.94 151.71 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.847 1.659 . . . . 0.0 112.733 171.669 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.02 57.94 2.7 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.455 1.026 . . . . 0.0 112.317 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.62 109.6 2.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.121 0.969 . . . . 0.0 109.164 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.11 -27.82 68.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.153 0.981 . . . . 0.0 112.308 -174.37 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 m -67.0 -10.03 45.31 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.453 1.501 . . . . 0.0 114.574 174.112 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 117.079 -1.956 . . . . 0.0 110.922 -179.268 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 9.3 t -40.26 -16.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.952 1 C-N-CA 134.799 5.24 . . . . 0.0 117.188 -167.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.74 -103.41 0.47 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 165.25 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -56.4 -37.15 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 124.245 1.018 . . . . 0.0 111.134 -174.484 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.05 71.38 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.47 70.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.382 0.591 . . . . 0.0 111.174 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.81 -42.47 81.49 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 119.356 0.98 . . . . 0.0 109.579 168.419 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.45 -49.7 62.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.041 0.448 . . . . 0.0 111.75 -167.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.32 -18.95 37.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.192 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -81.29 1.55 Allowed Glycine 0 C--N 1.339 0.716 0 O-C-N 123.477 0.486 . . . . 0.0 112.086 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.26 -49.02 73.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.503 1.521 . . . . 0.0 111.814 -176.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.15 -47.48 35.64 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 126.309 1.843 . . . . 0.0 110.022 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -25.55 74.72 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.76 -170.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.1 92.84 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.921 1.36 . . . . 0.0 111.153 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.427 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -80.13 14.79 1.73 Allowed 'General case' 0 C--O 1.233 0.187 0 C-N-CA 124.636 1.174 . . . . 0.0 113.995 169.203 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.23 33.18 1.11 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.996 1.284 . . . . 0.0 111.664 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.427 ' H ' ' C ' ' A' ' 15' ' ' ALA . 7.8 m -63.96 -27.93 69.47 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.587 1.155 . . . . 0.0 112.154 -169.856 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.2 t -82.3 47.39 1.14 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.684 1.594 . . . . 0.0 110.414 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.2 m -43.86 146.79 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.97 1.308 . . . . 0.0 112.739 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.87 -57.16 1.85 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 124.444 1.021 . . . . 0.0 110.793 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.55 -170.68 3.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.968 1.707 . . . . 0.0 109.544 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -28.33 69.1 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.557 -0.714 . . . . 0.0 111.403 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -65.29 -15.46 62.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.775 1.63 . . . . 0.0 113.933 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.85 0 CA-C-O 117.586 -1.675 . . . . 0.0 108.966 -164.128 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.92 -18.5 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.445 1.098 . . . . 0.0 112.062 -168.408 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -108.29 0.51 Allowed Glycine 0 CA--C 1.524 0.602 0 C-N-CA 125.68 1.61 . . . . 0.0 110.74 174.011 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.73 -33.91 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 124.086 0.955 . . . . 0.0 110.64 -176.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.0 -33.01 82.48 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -30.59 69.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.382 0.673 . . . . 0.0 111.032 175.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.01 -41.71 81.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 109.295 167.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.7 -49.49 65.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.257 0.551 . . . . 0.0 111.918 -170.171 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.53 -23.45 42.86 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.882 175.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.13 -79.14 1.37 Allowed Glycine 0 C--N 1.337 0.632 0 O-C-N 123.612 0.57 . . . . 0.0 112.671 -167.613 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -56.78 -49.04 76.5 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.674 1.59 . . . . 0.0 111.809 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.63 -42.84 73.77 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.11 1.764 . . . . 0.0 109.965 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.3 -28.48 73.27 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 118.82 0.736 . . . . 0.0 112.043 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -26.91 68.55 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.835 1.317 . . . . 0.0 112.103 169.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.83 15.56 1.38 Allowed 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 169.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.82 57.13 2.63 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 127.766 2.603 . . . . 0.0 110.888 -167.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -85.67 -100.5 0.06 Allowed 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 129.656 3.182 . . . . 0.0 110.272 -172.62 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -90.53 -18.13 25.81 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.468 -0.777 . . . . 0.0 113.078 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -44.28 154.96 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.697 1.199 . . . . 0.0 112.641 167.346 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.9 70.57 1.75 Allowed Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 168.524 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.99 124.72 20.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.298 1.039 . . . . 0.0 109.841 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.68 -28.38 69.36 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.602 0.761 . . . . 0.0 112.898 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 p -71.64 -15.89 62.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.029 1.732 . . . . 0.0 113.664 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.612 0 CA-C-O 117.856 -1.525 . . . . 0.0 109.919 -140.0 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 117.626 -1.178 . . . . 0.0 108.218 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 t -137.81 -75.24 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.885 0.766 . . . . 0.0 111.403 -170.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.41 -113.27 0.55 Allowed Glycine 0 C--N 1.339 0.722 0 C-N-CA 125.303 1.43 . . . . 0.0 111.053 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.67 -33.9 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.228 1.011 . . . . 0.0 110.405 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.68 -31.75 79.37 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.644 0.64 . . . . 0.0 111.709 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.0 73.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.82 0.81 . . . . 0.0 110.737 173.572 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -67.98 -40.45 83.13 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.003 0.819 . . . . 0.0 109.32 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.1 -49.47 67.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.254 1.026 . . . . 0.0 112.092 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.33 -36.1 68.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.93 -73.14 1.05 Allowed Glycine 0 N--CA 1.462 0.422 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.45 -160.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.07 -49.02 79.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.084 1.354 . . . . 0.0 111.368 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -67.55 -43.26 81.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.376 1.87 . . . . 0.0 110.175 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.48 -31.81 74.4 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 119.255 0.934 . . . . 0.0 112.194 -177.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -32.51 73.96 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.829 1.314 . . . . 0.0 111.589 169.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.66 15.72 1.28 Allowed 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.676 1.19 . . . . 0.0 114.161 169.433 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.02 57.48 2.71 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.894 1.235 . . . . 0.0 110.668 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 t -63.75 164.39 10.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.646 1.178 . . . . 0.0 110.453 174.069 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 t -67.94 150.15 48.87 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 153.383 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.0 m -44.1 141.29 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 119.196 -0.43 . . . . 0.0 109.974 145.824 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.03 104.76 1.86 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 173.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.21 -178.62 6.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.867 0.867 . . . . 0.0 109.63 171.251 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.46 -28.49 69.32 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.388 -0.82 . . . . 0.0 111.731 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 m -75.13 -12.27 60.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.672 1.189 . . . . 0.0 113.613 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 116.48 -2.289 . . . . 0.0 110.305 -166.18 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.71 -48.82 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -162.555 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.37 -115.65 0.58 Allowed Glycine 0 C--N 1.341 0.854 0 CA-C-O 122.523 1.068 . . . . 0.0 110.595 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.3 mm -60.46 -31.86 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.37 -28.64 72.33 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.085 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.88 73.27 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 118.548 1.174 . . . . 0.0 110.478 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.15 -39.83 82.55 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.895 0.77 . . . . 0.0 109.257 170.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.58 -49.65 62.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.135 -0.353 . . . . 0.0 111.574 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.16 -20.77 44.08 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.145 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -80.38 1.47 Allowed Glycine 0 N--CA 1.465 0.583 0 O-C-N 123.471 0.482 . . . . 0.0 112.696 -169.859 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.82 -48.85 74.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.323 1.849 . . . . 0.0 111.559 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -73.36 -45.67 53.62 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.113 1.765 . . . . 0.0 110.254 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.48 -23.26 75.21 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-N 119.168 0.895 . . . . 0.0 113.133 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.87 96.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.961 1.381 . . . . 0.0 110.54 167.325 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.479 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -80.22 15.54 1.52 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.374 1.469 . . . . 0.0 114.537 168.154 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.85 18.02 2.57 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 119.387 0.994 . . . . 0.0 113.126 -159.312 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.479 ' H ' ' C ' ' A' ' 15' ' ' ALA . 22.1 m -86.34 -13.07 47.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.041 1.336 . . . . 0.0 112.996 161.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 t -74.21 -70.17 0.41 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.469 1.031 . . . . 0.0 109.512 178.16 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 23.7 m -44.15 153.86 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 O-C-N 121.388 -0.82 . . . . 0.0 110.891 147.716 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.49 64.99 3.94 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 48.87 28.44 1.94 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.021 1.728 . . . . 0.0 114.098 -175.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.8 -28.48 69.49 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.059 -1.026 . . . . 0.0 112.146 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 p -72.95 -15.08 61.57 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 128.108 2.563 . . . . 0.0 114.139 171.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.659 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -138.591 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 117.05 -1.452 . . . . 0.0 108.655 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.7 t -118.55 -47.3 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.807 1.185 . . . . 0.0 112.784 -165.11 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.32 -115.9 0.58 Allowed Glycine 0 C--N 1.343 0.93 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.75 -34.24 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.85 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.65 -14.53 75.21 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.758 1.647 . . . . 0.0 113.893 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.2 60.01 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 120.004 1.902 . . . . 0.0 109.178 159.351 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.53 -35.98 81.13 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.584 0.754 . . . . 0.0 110.289 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.99 -49.47 72.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.241 1.016 . . . . 0.0 112.257 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -21.31 31.68 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.248 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.51 -77.11 1.23 Allowed Glycine 0 C--O 1.224 -0.521 0 O-C-N 123.525 0.516 . . . . 0.0 111.931 -163.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.97 -49.28 73.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.943 1.297 . . . . 0.0 111.176 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.57 -44.56 86.37 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.723 1.609 . . . . 0.0 109.806 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.47 -36.73 84.47 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.919 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.33 87.87 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.861 1.33 . . . . 0.0 110.959 170.431 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.404 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.1 15.38 1.16 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 170.829 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.36 42.83 1.48 Allowed Glycine 0 CA--C 1.53 0.975 0 C-N-CA 125.371 1.462 . . . . 0.0 111.277 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.404 ' H ' ' C ' ' A' ' 15' ' ' ALA . 15.9 m -69.8 64.22 0.21 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.633 2.373 . . . . 0.0 112.042 -174.654 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -69.06 169.38 11.96 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.474 1.109 . . . . 0.0 111.404 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.2 m -43.8 129.09 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.83 1.652 . . . . 0.0 112.837 173.032 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.34 144.82 17.44 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 106.568 -2.613 . . . . 0.0 106.568 143.239 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.5 -15.89 42.28 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.573 1.187 . . . . 0.0 114.177 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.95 -29.02 66.05 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.34 0.656 . . . . 0.0 112.092 171.202 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.8 m -79.07 -42.24 26.85 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.538 1.135 . . . . 0.0 111.441 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 CA-C-O 116.754 -2.137 . . . . 0.0 108.654 -173.356 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.488 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.5 t -142.52 -76.6 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 123.678 0.611 . . . . 0.0 110.186 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.66 -110.33 0.55 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 126.941 2.21 . . . . 0.0 111.417 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mm -54.42 -35.58 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.364 1.466 . . . . 0.0 111.091 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.8 -30.57 70.37 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.26 79.55 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 117.463 0.632 . . . . 0.0 110.666 171.324 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.78 -41.42 97.95 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.092 0.86 . . . . 0.0 109.776 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.1 -49.57 75.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.921 0.488 . . . . 0.0 111.424 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -81.05 -24.1 38.09 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.468 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.79 1.27 Allowed Glycine 0 C--O 1.225 -0.465 0 C-N-CA 123.822 0.725 . . . . 0.0 112.192 -166.034 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.62 -49.27 78.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.242 1.417 . . . . 0.0 111.511 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.91 -42.79 80.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.711 1.604 . . . . 0.0 109.807 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.33 -31.99 75.12 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.209 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.58 86.9 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.903 1.351 . . . . 0.0 111.059 169.64 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 15.7 1.25 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.687 1.195 . . . . 0.0 113.966 169.298 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.24 50.95 2.44 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 125.28 1.419 . . . . 0.0 110.944 -176.44 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.7 m -67.49 60.59 0.06 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.818 2.447 . . . . 0.0 112.273 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -68.43 86.52 0.29 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.06 1.344 . . . . 0.0 110.061 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.4 m -43.89 156.02 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.064 1.746 . . . . 0.0 112.71 167.484 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.58 -178.44 52.1 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 164.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 95.74 94.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 129.927 3.291 . . . . 0.0 108.872 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -28.84 69.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -169.172 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 t -78.88 -9.72 59.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.942 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.475 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -140.573 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t 64.9 -63.96 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 128.418 2.687 . . . . 0.0 114.822 166.389 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.16 -111.48 0.51 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 172.566 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.21 -34.15 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.17 -29.17 70.64 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.417 -0.657 . . . . 0.0 111.977 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.78 74.76 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.951 0.875 . . . . 0.0 110.523 172.08 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.51 -40.06 85.13 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 119.166 0.894 . . . . 0.0 109.434 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.53 -49.45 68.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.301 1.048 . . . . 0.0 112.197 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -71.64 -36.95 70.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.57 -70.91 0.96 Allowed Glycine 0 N--CA 1.463 0.435 0 CA-C-N 115.322 -0.853 . . . . 0.0 112.831 -159.159 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.45 -49.25 76.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 111.169 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.41 -41.32 85.08 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 126.266 1.827 . . . . 0.0 110.008 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.54 -36.55 83.73 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-N 119.067 0.848 . . . . 0.0 112.077 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.96 97.52 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.89 1.345 . . . . 0.0 110.624 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.53 15.7 0.33 Allowed 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 169.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.16 43.05 1.44 Allowed Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.414 1.483 . . . . 0.0 111.699 -176.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -67.38 80.18 0.16 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.139 1.776 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -68.01 159.15 31.31 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.317 1.047 . . . . 0.0 110.234 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 m -43.72 -42.02 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 126.288 1.835 . . . . 0.0 113.719 161.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.11 -169.34 45.83 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.196 1.379 . . . . 0.0 113.17 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.45 174.03 11.29 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 161.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -28.45 69.23 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.534 -0.729 . . . . 0.0 111.346 172.332 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 t -78.82 -10.26 59.73 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 117.047 -1.454 . . . . 0.0 114.172 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.747 -2.14 . . . . 0.0 110.938 -170.682 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 117.441 -1.266 . . . . 0.0 108.704 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 t -118.08 -43.38 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 119.501 1.046 . . . . 0.0 112.715 -164.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.42 -115.67 0.59 Allowed Glycine 0 C--N 1.341 0.846 0 CA-C-O 122.521 1.067 . . . . 0.0 110.467 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.97 -34.79 64.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.821 0.82 . . . . 0.0 109.958 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.58 -14.04 74.79 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 118.163 -1.354 . . . . 0.0 114.035 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.47 74.62 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 120.15 1.975 . . . . 0.0 110.033 160.489 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.74 -36.89 85.35 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.2 0.6 . . . . 0.0 109.483 -177.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -58.67 -49.7 76.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.597 0.759 . . . . 0.0 111.86 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.17 -24.48 30.15 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.913 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.88 -78.12 1.3 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 124.102 0.858 . . . . 0.0 111.633 -166.637 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.87 -49.12 78.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.28 1.432 . . . . 0.0 111.341 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.57 -44.78 77.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.531 1.532 . . . . 0.0 110.011 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.42 -30.82 73.4 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.112 -175.069 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.74 82.21 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.8 1.3 . . . . 0.0 111.485 170.007 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 15.68 1.35 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 113.977 170.293 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.25 51.22 2.47 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.898 1.237 . . . . 0.0 111.035 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.8 m -63.98 92.03 0.07 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.468 1.507 . . . . 0.0 111.216 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.94 138.27 55.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.216 1.407 . . . . 0.0 108.66 173.454 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.0 t -43.78 -44.18 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.037 1.335 . . . . 0.0 111.187 168.097 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.82 101.74 1.58 Allowed Glycine 0 C--N 1.338 0.651 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 167.176 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.0 80.57 0.21 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.513 2.325 . . . . 0.0 113.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.61 -28.5 69.41 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.275 1.03 . . . . 0.0 113.157 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.3 m -78.24 -10.71 59.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.171 1.388 . . . . 0.0 113.279 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.386 0 CA-C-O 118.298 -1.279 . . . . 0.0 110.079 -149.338 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 117.079 -1.438 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.1 t -118.89 -47.86 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 119.88 1.218 . . . . 0.0 113.12 -161.287 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.27 -115.4 0.56 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 175.629 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.47 -34.53 58.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 123.973 0.909 . . . . 0.0 109.895 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.56 -15.58 75.46 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.748 1.642 . . . . 0.0 114.024 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -45.95 69.0 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.961 1.88 . . . . 0.0 109.838 160.247 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.9 -35.24 77.78 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.529 0.732 . . . . 0.0 109.647 -177.061 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.9 -49.75 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.494 0.718 . . . . 0.0 111.783 -178.642 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pp -84.06 -23.77 30.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.561 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.61 -74.26 1.06 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 124.289 0.947 . . . . 0.0 111.872 -166.193 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.68 -49.38 66.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.796 1.238 . . . . 0.0 111.154 -174.703 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.57 -42.69 86.64 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.935 1.694 . . . . 0.0 109.559 174.698 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.38 -38.07 86.69 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.665 -177.623 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.73 99.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.953 1.377 . . . . 0.0 110.904 171.644 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.438 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.59 15.48 1.31 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 170.619 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.18 24.78 1.32 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.523 1.059 . . . . 0.0 111.948 -169.6 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.438 ' H ' ' C ' ' A' ' 15' ' ' ALA . 4.7 m -64.04 -23.41 67.32 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.443 1.097 . . . . 0.0 113.39 -164.501 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -90.65 -44.95 9.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.759 0.824 . . . . 0.0 112.2 168.47 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 t -44.06 -55.82 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.965 2.106 . . . . 0.0 112.711 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.16 -175.1 37.7 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 125.761 1.648 . . . . 0.0 113.575 -168.552 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.07 -86.59 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.906 1.683 . . . . 0.0 109.157 172.748 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -32.03 68.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -166.268 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -79.04 -9.52 59.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.243 1.017 . . . . 0.0 112.532 173.572 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 -138.471 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t 68.74 -72.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 128.389 2.676 . . . . 0.0 112.822 165.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.1 -113.04 0.52 Allowed Glycine 0 C--N 1.335 0.486 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 172.298 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.6 mm -56.33 -35.52 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.47 1.108 . . . . 0.0 110.87 -175.745 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.89 -28.49 70.55 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.252 -0.749 . . . . 0.0 111.567 -177.578 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.33 74.0 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 118.149 0.974 . . . . 0.0 110.727 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.86 -42.2 81.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.972 0.805 . . . . 0.0 109.544 172.022 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -66.48 -49.64 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -172.79 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -81.62 -24.0 36.66 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.91 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -76.64 1.18 Allowed Glycine 0 C--N 1.336 0.576 0 O-C-N 123.688 0.617 . . . . 0.0 111.804 -167.997 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.03 -49.16 78.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.205 1.002 . . . . 0.0 111.608 -175.11 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.54 -44.97 77.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.053 1.741 . . . . 0.0 109.855 174.531 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.51 75.99 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.222 -175.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.76 88.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.772 1.286 . . . . 0.0 110.968 170.455 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.31 15.22 1.27 Allowed 'General case' 0 C--N 1.34 0.189 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.473 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.18 42.85 1.43 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.395 1.474 . . . . 0.0 111.328 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.2 m -71.64 54.58 0.24 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.706 1.602 . . . . 0.0 111.371 175.056 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 t -75.01 127.73 33.92 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.674 1.19 . . . . 0.0 110.971 -177.986 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -44.07 -61.59 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.175 0.99 . . . . 0.0 113.399 152.845 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.72 165.48 24.59 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 125.3 1.429 . . . . 0.0 113.564 -169.842 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.65 23.92 6.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.634 1.574 . . . . 0.0 114.821 171.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -28.52 69.85 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.002 -1.061 . . . . 0.0 112.72 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -79.21 -9.52 59.59 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.32 1.448 . . . . 0.0 113.225 172.412 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.548 0 N-CA-C 107.664 -2.175 . . . . 0.0 107.664 -138.72 . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 117.2 -1.381 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -117.38 -57.9 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -163.182 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.39 -113.67 0.55 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 175.171 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.25 -37.06 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.058 0.943 . . . . 0.0 109.938 -178.604 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.67 -15.77 75.77 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.008 1.29 . . . . 0.0 113.828 177.61 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.71 74.25 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.099 1.949 . . . . 0.0 109.788 161.677 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.11 -35.88 81.75 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.451 0.7 . . . . 0.0 109.742 -177.618 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -59.55 -49.8 76.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.871 0.468 . . . . 0.0 111.636 -177.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.03 -20.83 32.06 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.467 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.05 1.22 Allowed Glycine 0 C--O 1.226 -0.397 0 C-N-CA 124.486 1.041 . . . . 0.0 111.782 -167.807 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -64.6 -49.24 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.69 1.596 . . . . 0.0 111.059 -174.823 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.11 -44.09 73.14 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.85 1.66 . . . . 0.0 109.717 174.524 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -35.94 82.54 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.191 -0.783 . . . . 0.0 111.89 -175.047 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.68 94.71 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.816 1.308 . . . . 0.0 110.916 170.67 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.449 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.46 14.92 1.41 Allowed 'General case' 0 C--N 1.341 0.216 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 172.161 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.97 24.83 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.207 1.384 . . . . 0.0 111.933 -177.934 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.449 ' H ' ' C ' ' A' ' 15' ' ' ALA . 3.5 m -73.26 -47.91 39.13 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.925 1.29 . . . . 0.0 109.949 176.566 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.9 p -90.56 -79.26 0.36 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.703 1.201 . . . . 0.0 109.546 174.819 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.9 m -43.93 117.75 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 126.752 2.021 . . . . 0.0 112.478 173.39 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.65 88.14 0.74 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 176.072 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.72 60.87 0.1 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.389 1.876 . . . . 0.0 112.703 -178.017 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.25 -28.0 68.86 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.287 1.835 . . . . 0.0 113.267 -170.293 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 t -55.25 -46.29 76.07 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.72 1.208 . . . . 0.0 111.714 175.203 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.63 0 CA-C-O 118.284 -1.287 . . . . 0.0 111.257 -147.004 . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.5 t 66.87 -71.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 128.302 2.641 . . . . 0.0 113.23 165.642 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.19 -112.54 0.52 Allowed Glycine 0 C--N 1.336 0.531 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 172.058 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -55.41 -35.86 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.815 1.246 . . . . 0.0 110.868 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -29.74 69.02 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.336 -0.702 . . . . 0.0 111.683 -177.912 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.84 74.86 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 117.987 0.893 . . . . 0.0 110.803 172.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.34 -42.06 84.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 118.876 0.762 . . . . 0.0 109.357 172.408 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -66.35 -49.76 65.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.346 -173.412 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.49 -23.72 42.79 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.17 -79.75 1.42 Allowed Glycine 0 C--N 1.335 0.481 0 O-C-N 123.64 0.587 . . . . 0.0 111.997 -168.502 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -56.59 -49.12 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 111.623 -175.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -70.8 -47.07 61.42 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.183 1.793 . . . . 0.0 110.044 173.411 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.62 -29.47 72.83 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.266 -0.741 . . . . 0.0 112.725 -171.166 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.67 91.13 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.792 1.296 . . . . 0.0 110.953 169.524 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.448 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.82 15.43 1.41 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.629 1.172 . . . . 0.0 113.774 170.488 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.06 28.24 1.14 Allowed Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.054 1.311 . . . . 0.0 111.779 -177.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.448 ' H ' ' C ' ' A' ' 15' ' ' ALA . 4.4 m -64.5 -19.96 65.91 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.532 1.533 . . . . 0.0 112.0 178.972 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -78.62 51.02 1.02 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.921 1.288 . . . . 0.0 109.277 172.183 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -43.95 -52.93 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 126.365 1.866 . . . . 0.0 112.841 172.092 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.15 164.32 24.69 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.903 1.24 . . . . 0.0 110.362 173.583 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.94 13.78 3.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.721 1.608 . . . . 0.0 113.992 -174.708 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.75 73.04 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.075 -1.016 . . . . 0.0 112.355 -178.719 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -78.95 -9.8 59.62 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.915 1.686 . . . . 0.0 113.445 173.339 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 N-CA-C 107.472 -2.251 . . . . 0.0 107.472 -138.886 . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 116.877 -1.535 . . . . 0.0 108.499 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 m -118.69 -60.0 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 120.003 1.274 . . . . 0.0 114.38 -162.976 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.38 -114.71 0.56 Allowed Glycine 0 C--N 1.337 0.613 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 175.208 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mm -59.59 -36.44 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.669 0.787 . . . . 0.0 110.009 -177.838 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -15.69 75.59 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 125.417 1.485 . . . . 0.0 113.734 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.51 57.69 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.744 1.772 . . . . 0.0 109.196 160.117 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.03 -35.38 78.42 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.63 0.772 . . . . 0.0 110.516 -174.559 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.54 -49.59 70.65 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.669 1.188 . . . . 0.0 112.222 -169.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.52 -20.68 31.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.91 173.14 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.49 -76.73 1.21 Allowed Glycine 0 C--O 1.224 -0.508 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 -163.737 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.02 -49.27 75.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.824 1.249 . . . . 0.0 110.949 -177.7 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.13 -45.65 84.16 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.177 1.391 . . . . 0.0 109.863 176.158 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.43 -36.09 83.27 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.23 -177.722 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.86 98.63 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.012 1.406 . . . . 0.0 110.767 170.731 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.36 15.64 0.57 Allowed 'General case' 0 C--N 1.339 0.152 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 170.171 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.19 41.36 1.31 Allowed Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.738 1.637 . . . . 0.0 112.426 -170.269 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -63.86 132.32 50.48 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 161.811 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -68.22 -9.89 50.48 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -163.05 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -43.9 -49.53 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.572 1.149 . . . . 0.0 110.44 157.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.66 42.77 1.8 Allowed Glycine 0 CA--C 1.532 1.099 0 C-N-CA 126.051 1.786 . . . . 0.0 112.568 177.308 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.32 -48.09 0.08 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.629 2.372 . . . . 0.0 106.999 166.599 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -35.82 79.65 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.951 0.9 . . . . 0.0 112.294 177.307 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.3 t -78.32 -9.67 59.34 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.125 1.37 . . . . 0.0 112.865 174.185 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.394 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 -144.485 . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 117.078 -1.439 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.5 t -117.8 -48.61 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.792 1.178 . . . . 0.0 112.902 -163.34 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.33 -115.66 0.58 Allowed Glycine 0 C--N 1.341 0.856 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 175.457 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -61.16 -34.59 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.925 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.53 -15.3 75.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.836 1.684 . . . . 0.0 113.704 176.991 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.0 64.1 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.817 1.809 . . . . 0.0 109.522 160.212 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.66 -35.26 79.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.848 0.859 . . . . 0.0 110.003 -176.365 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -62.43 -49.32 75.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.656 1.182 . . . . 0.0 111.88 -173.583 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -83.88 -20.9 32.26 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.495 175.742 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.81 -78.54 1.33 Allowed Glycine 0 C--N 1.335 0.482 0 O-C-N 123.623 0.577 . . . . 0.0 112.112 -165.02 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.24 -49.08 78.57 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.821 1.649 . . . . 0.0 111.281 -177.764 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -66.73 -43.73 83.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.424 1.489 . . . . 0.0 109.873 175.529 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.19 75.51 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 119.49 -0.617 . . . . 0.0 112.045 -178.474 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.53 -31.1 72.17 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.843 1.322 . . . . 0.0 111.669 170.114 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.71 15.59 1.33 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.39 1.076 . . . . 0.0 113.825 170.061 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.99 46.44 1.79 Allowed Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.578 1.561 . . . . 0.0 111.599 -177.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 t -70.14 -54.29 13.58 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.445 1.098 . . . . 0.0 109.151 168.801 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.4 m -90.02 -79.55 0.34 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.571 0.748 . . . . 0.0 109.633 -179.337 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 m -44.03 134.98 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.079 1.351 . . . . 0.0 112.386 168.13 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.3 169.74 28.03 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 154.766 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.91 -173.54 3.34 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.048 1.739 . . . . 0.0 109.968 177.018 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -28.31 69.12 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.059 -1.026 . . . . 0.0 112.533 -178.616 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.3 t -76.93 -9.87 58.98 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 117.74 -1.124 . . . . 0.0 113.316 175.524 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 N-CA-C 107.603 -2.199 . . . . 0.0 107.603 -159.074 . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t 67.05 -73.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 128.477 2.711 . . . . 0.0 112.804 166.566 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.19 -112.62 0.52 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 172.103 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.9 mm -55.75 -35.89 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.757 1.223 . . . . 0.0 110.921 -174.624 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.95 68.84 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -177.219 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.42 75.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.83 0.815 . . . . 0.0 110.616 173.416 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.32 -42.73 83.13 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 118.898 0.772 . . . . 0.0 109.338 172.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -65.43 -49.59 68.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.643 -172.484 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.91 -23.87 38.63 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.163 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.09 -78.42 1.31 Allowed Glycine 0 C--N 1.336 0.56 0 O-C-N 123.615 0.572 . . . . 0.0 111.752 -167.515 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -58.39 -49.33 77.63 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.784 1.234 . . . . 0.0 111.633 -175.95 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.55 -44.63 74.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.175 1.79 . . . . 0.0 110.08 175.489 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -36.44 84.12 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-O 119.509 -0.606 . . . . 0.0 111.911 -175.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -35.96 82.0 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.491 1.145 . . . . 0.0 111.125 170.935 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.34 15.64 1.19 Allowed 'General case' 0 C--O 1.233 0.203 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 171.238 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.07 49.04 2.14 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.319 1.437 . . . . 0.0 111.636 -174.306 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.5 m -64.07 149.94 46.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.455 0.702 . . . . 0.0 109.668 169.649 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.04 -2.1 14.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.678 1.591 . . . . 0.0 113.97 -170.28 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.9 m -43.99 158.7 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 126.171 1.789 . . . . 0.0 113.717 168.83 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.31 -110.54 0.93 Allowed Glycine 0 CA--C 1.528 0.873 0 N-CA-C 107.336 -2.306 . . . . 0.0 107.336 155.234 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.58 -13.25 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 165.085 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.75 -28.75 69.66 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 120.68 1.582 . . . . 0.0 112.043 178.397 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 p -74.42 -10.42 59.55 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.602 2.361 . . . . 0.0 114.007 172.139 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.643 0 N-CA-C 106.837 -2.505 . . . . 0.0 106.837 -138.488 . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 12.6 t -51.17 -13.9 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.919 1 C-N-CA 132.439 4.296 . . . . 0.0 115.407 -168.51 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.75 -103.78 0.47 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 125.313 1.435 . . . . 0.0 109.935 165.532 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.1 mm -56.17 -36.84 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.183 0.993 . . . . 0.0 111.511 -174.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.03 69.59 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.52 72.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.588 0.694 . . . . 0.0 111.32 173.841 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.58 -42.13 83.02 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.272 0.942 . . . . 0.0 109.682 169.983 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -67.18 -49.73 63.56 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.293 -172.978 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.63 -23.28 45.95 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.743 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.15 -79.01 1.35 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.209 -169.314 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.25 -48.9 77.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.533 1.533 . . . . 0.0 111.524 -175.855 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.03 -43.88 64.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.275 1.83 . . . . 0.0 110.313 173.657 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.35 -26.26 74.33 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 118.996 0.817 . . . . 0.0 112.422 -174.435 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.11 -34.13 74.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.712 1.256 . . . . 0.0 111.69 168.538 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.456 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -80.02 15.37 1.5 Allowed 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.455 1.102 . . . . 0.0 113.839 169.478 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 33.5 1.06 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.795 1.664 . . . . 0.0 112.213 -175.915 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.456 ' H ' ' C ' ' A' ' 15' ' ' ALA . 49.6 m -85.56 -24.58 27.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.574 1.15 . . . . 0.0 111.399 164.889 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 m -90.47 -91.0 0.15 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.763 0.71 . . . . 0.0 109.087 175.927 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.0 m -44.07 135.32 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 118.779 0.718 . . . . 0.0 110.036 157.723 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.23 40.53 1.49 Allowed Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.805 0.717 . . . . 0.0 113.599 -177.079 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.32 45.2 0.22 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.982 2.113 . . . . 0.0 112.196 -175.8 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -28.61 69.76 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.32 1.048 . . . . 0.0 112.42 -177.881 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -79.03 -9.65 59.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.499 1.119 . . . . 0.0 112.731 172.099 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.48 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 -139.278 . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 t -140.54 -72.61 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 118.764 0.711 . . . . 0.0 110.924 -173.073 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -112.36 0.53 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 125.343 1.449 . . . . 0.0 110.722 176.564 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.86 -34.04 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.229 1.012 . . . . 0.0 110.397 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.13 73.1 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 123.572 0.606 . . . . 0.0 111.974 179.892 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.61 74.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.018 0.909 . . . . 0.0 111.169 171.11 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -67.92 -39.39 83.54 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.964 0.802 . . . . 0.0 109.151 172.383 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.42 -50.13 66.61 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.126 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.25 -37.22 83.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.989 0.899 . . . . 0.0 108.96 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -70.4 0.88 Allowed Glycine 0 CA--C 1.519 0.32 0 CA-C-N 114.175 -1.375 . . . . 0.0 112.072 -162.392 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.55 -49.19 74.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.024 1.33 . . . . 0.0 111.175 -176.001 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tp -69.42 -43.85 72.56 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 126.032 1.733 . . . . 0.0 109.69 173.319 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.49 -31.66 74.15 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 119.785 1.175 . . . . 0.0 111.979 -175.333 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.13 98.9 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.861 1.331 . . . . 0.0 110.687 169.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.468 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.73 15.15 1.45 Allowed 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 170.114 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.32 28.57 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 C-N-CA 125.802 1.667 . . . . 0.0 111.703 -175.132 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.468 ' H ' ' C ' ' A' ' 15' ' ' ALA . 1.5 m -82.47 -59.26 2.59 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.259 1.424 . . . . 0.0 111.021 -162.539 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -90.51 -43.77 10.02 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.33 0.652 . . . . 0.0 112.189 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.0 m -44.02 143.77 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.494 1.118 . . . . 0.0 111.791 168.581 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.98 25.21 1.22 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-O 119.063 -0.854 . . . . 0.0 114.026 177.845 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.89 82.38 1.62 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.097 1.359 . . . . 0.0 109.481 -173.598 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.06 -28.69 68.41 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 176.431 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.4 t -77.94 -10.25 59.49 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 117.513 -1.232 . . . . 0.0 114.131 -171.816 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.182 -1.899 . . . . 0.0 111.292 -173.326 . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 . . . . . . . . . 0 0 . 1 . 030 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.9 t -75.26 -20.45 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.002 1.321 . . . . 0.0 111.956 -168.278 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.38 -106.11 0.52 Allowed Glycine 0 C--N 1.335 0.476 0 C-N-CA 125.537 1.542 . . . . 0.0 110.687 173.673 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.82 -36.42 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 125.148 1.379 . . . . 0.0 110.374 -174.502 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.17 -34.82 81.86 Favored Glycine 0 C--N 1.341 0.841 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -177.691 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.99 73.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.308 0.643 . . . . 0.0 111.013 176.879 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.92 -44.83 75.95 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 109.783 170.357 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -65.82 -49.69 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.243 -169.423 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.83 -20.62 32.88 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.661 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.02 -82.78 1.68 Allowed Glycine 0 C--N 1.336 0.571 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -171.211 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -51.64 -48.51 63.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.091 1.356 . . . . 0.0 111.897 -176.348 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.74 -52.55 8.22 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.412 1.485 . . . . 0.0 110.213 171.509 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.25 -28.99 72.14 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 118.74 -1.033 . . . . 0.0 114.096 -163.705 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.19 -21.7 49.7 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.595 1.197 . . . . 0.0 112.16 172.622 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 15.59 1.38 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.988 0.915 . . . . 0.0 112.35 164.471 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.15 46.7 1.87 Allowed Glycine 0 CA--C 1.525 0.679 0 C-N-CA 125.499 1.523 . . . . 0.0 111.398 -173.697 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.9 m -63.87 -28.01 69.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.642 0.777 . . . . 0.0 110.416 172.653 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.1 m -75.3 86.83 2.5 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 154.454 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.6 t -43.84 -19.96 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 129.147 2.979 . . . . 0.0 115.759 -172.086 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.3 56.44 1.95 Allowed Glycine 0 CA--C 1.533 1.211 0 CA-C-N 119.968 1.258 . . . . 0.0 111.427 171.064 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.22 -175.2 5.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.091 2.556 . . . . 0.0 108.194 -175.475 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.21 -27.72 68.63 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.477 0.711 . . . . 0.0 112.84 -174.738 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -62.49 -10.16 10.88 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 172.266 . . . . . . . . 1 1 . 1 . 030 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.356 -1.802 . . . . 0.0 110.718 179.014 . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 116.727 -1.606 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 031 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 t -120.9 -51.0 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 120.31 1.414 . . . . 0.0 113.563 -160.048 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.3 -115.82 0.57 Allowed Glycine 0 C--N 1.341 0.827 0 CA-C-N 119.811 1.187 . . . . 0.0 110.408 176.285 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.84 -31.63 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.73 0.776 . . . . 0.0 109.568 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.4 -15.8 75.24 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.729 1.633 . . . . 0.0 113.287 176.623 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.83 72.53 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.585 1.693 . . . . 0.0 109.595 161.885 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.15 -39.87 90.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -175.942 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -57.91 -49.55 76.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.812 0.815 . . . . 0.0 112.397 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.88 -36.85 49.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.876 -177.195 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.9 -71.8 0.96 Allowed Glycine 0 C--O 1.226 -0.356 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.827 -161.432 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -60.52 -49.02 79.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.441 1.097 . . . . 0.0 111.035 -176.418 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.84 -47.12 72.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.808 1.643 . . . . 0.0 110.048 172.752 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.62 -27.5 73.78 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-N 119.083 0.856 . . . . 0.0 112.501 -173.319 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.79 91.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.123 1.461 . . . . 0.0 110.927 169.157 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.97 13.95 2.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 169.299 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.92 38.25 1.3 Allowed Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.09 1.329 . . . . 0.0 110.434 168.83 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 p -86.1 37.99 0.74 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.082 2.153 . . . . 0.0 112.859 -173.369 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -68.26 168.44 12.36 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.739 0.815 . . . . 0.0 110.905 171.729 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -43.74 -51.58 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.553 1.541 . . . . 0.0 113.85 178.929 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.04 131.96 10.92 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 105.837 -2.905 . . . . 0.0 105.837 152.771 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.48 -166.94 1.18 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.955 1.302 . . . . 0.0 110.803 -162.475 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -28.06 68.81 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.877 0.871 . . . . 0.0 112.196 179.005 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -78.51 -9.81 59.47 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 117.365 -1.302 . . . . 0.0 113.655 173.076 . . . . . . . . 1 1 . 1 . 031 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.365 0 CA-C-O 117.633 -1.648 . . . . 0.0 109.097 -161.675 . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 116.625 -1.655 . . . . 0.0 108.805 . . . . . . . . . 0 0 . 1 . 032 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.4 t -119.52 -56.18 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 120.37 1.441 . . . . 0.0 113.302 -160.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.45 -115.4 0.58 Allowed Glycine 0 C--N 1.341 0.821 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 176.522 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.26 -32.91 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 123.85 0.86 . . . . 0.0 109.679 178.878 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.46 -17.01 75.94 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.613 1.578 . . . . 0.0 113.512 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.17 72.23 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.724 1.762 . . . . 0.0 109.346 162.278 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.25 -38.87 92.85 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 123.326 0.65 . . . . 0.0 109.353 -177.925 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -58.34 -49.77 76.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 122.015 0.912 . . . . 0.0 111.866 178.845 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.44 -36.55 63.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.032 -176.041 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -69.04 0.84 Allowed Glycine 0 CA--C 1.523 0.544 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.793 -163.657 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -66.75 -49.23 66.64 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 110.991 -174.467 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.63 -40.96 93.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.815 1.646 . . . . 0.0 109.56 170.192 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.43 -30.18 73.22 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 119.135 0.879 . . . . 0.0 112.417 -176.243 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.87 95.77 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.156 1.478 . . . . 0.0 110.802 167.414 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.45 13.24 2.05 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 170.973 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.73 7.45 26.75 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 126.084 1.802 . . . . 0.0 110.708 156.977 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -64.8 -31.42 72.64 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.413 1.085 . . . . 0.0 110.856 165.156 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -90.71 157.64 17.33 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.497 1.044 . . . . 0.0 109.234 156.971 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -44.0 119.14 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.394 1.078 . . . . 0.0 112.14 167.713 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.06 167.47 26.59 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 167.633 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.63 -176.67 5.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.996 1.318 . . . . 0.0 111.433 -176.952 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.16 69.1 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.95 0.9 . . . . 0.0 112.308 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p -68.04 -10.82 56.76 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.545 1.938 . . . . 0.0 114.036 172.001 . . . . . . . . 1 1 . 1 . 032 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.905 0 N-CA-C 105.442 -3.063 . . . . 0.0 105.442 -138.52 . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.931 . . . . . . . . . 0 0 . 1 . 033 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.1 -61.21 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -167.214 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.5 -113.63 0.56 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 124.595 1.093 . . . . 0.0 110.774 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.41 -35.29 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 110.476 -177.465 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.88 73.89 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -178.208 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.84 76.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 117.417 0.608 . . . . 0.0 110.784 173.681 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.19 -42.79 88.37 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 118.953 0.797 . . . . 0.0 109.422 172.599 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -65.41 -49.65 68.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.163 -172.445 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.44 -23.09 46.75 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.465 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.21 -81.91 1.6 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 123.388 0.518 . . . . 0.0 112.446 -168.708 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -53.16 -48.92 67.58 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.366 1.866 . . . . 0.0 111.516 -177.303 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -73.92 -48.38 31.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 126.039 1.736 . . . . 0.0 110.186 173.616 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.49 -30.84 73.25 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 119.202 -0.777 . . . . 0.0 112.632 -168.464 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.96 74.8 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.673 1.237 . . . . 0.0 111.578 170.906 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.443 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -80.15 15.26 1.58 Allowed 'General case' 0 C--N 1.34 0.172 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 170.971 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.93 22.58 1.45 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.133 0.873 . . . . 0.0 112.383 -175.229 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.443 ' H ' ' C ' ' A' ' 15' ' ' ALA . 45.1 m -71.55 70.15 0.64 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.606 1.962 . . . . 0.0 111.567 -176.595 . . . . . . . . 2 2 . 1 . 033 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 p -79.37 -170.96 2.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.283 0.563 . . . . 0.0 110.301 173.093 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 m -43.57 -48.86 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 124.21 1.004 . . . . 0.0 112.058 160.305 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.53 167.9 26.27 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.582 1.087 . . . . 0.0 111.198 167.385 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 49.63 51.71 15.94 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.603 1.161 . . . . 0.0 112.013 176.677 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -28.51 69.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.646 -0.659 . . . . 0.0 111.632 -176.31 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p -70.76 -11.91 61.24 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.833 2.453 . . . . 0.0 114.747 172.492 . . . . . . . . 1 1 . 1 . 033 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.743 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -139.136 . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 117.299 -1.334 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 034 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -117.8 -46.31 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 119.589 1.086 . . . . 0.0 112.574 -167.3 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -115.73 0.57 Allowed Glycine 0 C--N 1.341 0.858 0 CA-C-O 122.631 1.128 . . . . 0.0 110.516 175.298 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.4 mm -61.11 -35.89 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.962 0.905 . . . . 0.0 109.935 -178.289 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.68 -14.58 75.31 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.032 -1.426 . . . . 0.0 113.999 176.463 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -43.23 75.37 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 120.375 2.088 . . . . 0.0 109.68 161.461 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.83 -37.49 87.0 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.292 0.637 . . . . 0.0 109.327 -178.658 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -60.94 -50.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 0.0 111.294 -174.12 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.22 -19.34 34.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.775 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.01 -74.75 1.07 Allowed Glycine 0 C--O 1.224 -0.492 0 C-N-CA 124.389 0.995 . . . . 0.0 111.869 -168.316 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.84 -49.31 66.15 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.607 1.563 . . . . 0.0 110.95 -176.264 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.77 -40.01 63.77 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.493 1.917 . . . . 0.0 109.727 175.166 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.45 -29.28 72.98 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 118.891 -0.949 . . . . 0.0 112.64 178.913 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.44 75.79 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.517 1.658 . . . . 0.0 111.474 168.37 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.419 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.81 15.7 1.34 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.628 1.171 . . . . 0.0 113.775 168.514 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.05 42.12 1.34 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.626 1.584 . . . . 0.0 111.707 -177.955 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.419 ' H ' ' C ' ' A' ' 15' ' ' ALA . 23.1 m -81.51 -45.41 15.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.067 1.347 . . . . 0.0 110.325 171.477 . . . . . . . . 2 2 . 1 . 034 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 m -90.42 -81.77 0.29 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.158 0.983 . . . . 0.0 109.249 -177.517 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -44.17 149.93 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.426 1.09 . . . . 0.0 111.268 155.286 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.44 -42.99 39.34 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 172.89 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 48.57 -9.28 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 130.967 3.707 . . . . 0.0 120.167 166.805 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.75 -28.69 69.62 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.823 1.647 . . . . 0.0 112.126 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -74.59 -17.27 60.74 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.828 1.251 . . . . 0.0 113.138 175.721 . . . . . . . . 1 1 . 1 . 034 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.335 0 CA-C-O 117.464 -1.742 . . . . 0.0 109.428 -162.738 . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 118.058 -0.972 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 035 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -131.22 -89.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 118.82 0.736 . . . . 0.0 111.903 -172.913 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.57 -115.38 0.6 Allowed Glycine 0 C--N 1.341 0.844 0 C-N-CA 125.196 1.379 . . . . 0.0 111.802 -175.309 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -57.84 -33.85 46.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.749 1.22 . . . . 0.0 110.346 -178.293 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.71 83.03 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -32.73 72.8 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 117.444 0.622 . . . . 0.0 111.438 174.111 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.63 -43.94 75.28 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 119.069 0.849 . . . . 0.0 110.189 171.595 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.32 -49.69 70.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.526 -171.951 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.65 -38.54 47.52 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.052 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.0 -72.22 1.12 Allowed Glycine 0 N--CA 1.462 0.393 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -160.933 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -55.24 -48.81 73.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.686 0.794 . . . . 0.0 111.271 -178.318 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.09 -50.99 23.67 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.476 1.51 . . . . 0.0 110.804 175.682 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.27 -20.3 74.98 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 119.724 1.147 . . . . 0.0 113.535 -173.785 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.76 89.29 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.528 1.664 . . . . 0.0 110.789 166.082 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.467 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -79.84 14.95 1.55 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.661 1.184 . . . . 0.0 113.422 167.531 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.13 29.37 1.14 Allowed Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.585 1.564 . . . . 0.0 111.785 -179.617 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.467 ' H ' ' C ' ' A' ' 15' ' ' ALA . 2.7 m -72.09 -20.92 61.58 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.882 1.273 . . . . 0.0 111.018 169.609 . . . . . . . . 2 2 . 1 . 035 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -90.45 -107.56 0.09 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 166.769 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -44.14 114.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.307 0 C-N-CA 124.641 1.176 . . . . 0.0 111.794 164.592 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.4 135.73 20.08 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 178.126 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 84.25 0.45 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.479 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.03 68.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.661 1.184 . . . . 0.0 112.723 -170.418 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -64.58 -19.87 65.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.067 1.747 . . . . 0.0 113.84 173.253 . . . . . . . . 1 1 . 1 . 035 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.599 0 CA-C-O 117.833 -1.537 . . . . 0.0 109.46 -141.428 . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 117.38 -1.295 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 036 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 t 69.25 -52.9 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 127.825 2.45 . . . . 0.0 114.593 166.766 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.21 -110.49 0.51 Allowed Glycine 0 CA--C 1.522 0.527 0 C-N-CA 125.241 1.401 . . . . 0.0 109.81 169.733 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.09 -34.5 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.995 0.918 . . . . 0.0 110.833 -176.44 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.14 -31.47 74.89 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.924 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.54 -31.67 71.07 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.923 0.861 . . . . 0.0 111.006 172.957 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.55 -40.72 84.99 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.174 0.897 . . . . 0.0 109.104 169.391 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -66.66 -49.37 66.38 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.129 0.572 . . . . 0.0 111.816 -170.582 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 pp -77.98 -23.75 48.3 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.002 175.682 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.14 -80.77 1.5 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.687 0.617 . . . . 0.0 112.682 -166.783 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.94 -48.95 74.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.25 1.82 . . . . 0.0 111.731 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 tp -69.43 -44.3 71.62 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.114 1.766 . . . . 0.0 110.03 174.141 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.34 -27.87 73.55 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 118.788 0.722 . . . . 0.0 112.143 -175.507 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.97 -29.3 70.7 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.611 1.206 . . . . 0.0 112.037 169.635 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.83 15.58 1.38 Allowed 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.247 1.019 . . . . 0.0 113.629 170.642 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.83 56.99 2.63 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.061 2.267 . . . . 0.0 110.545 -173.485 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 p -64.1 70.94 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 1 C-N-CA 131.842 4.057 . . . . 0.0 110.73 179.302 . . . . . . . . 2 2 . 1 . 036 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -67.82 109.22 3.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 173.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.7 t -44.2 -30.99 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 125.498 1.519 . . . . 0.0 112.505 158.192 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.44 -148.57 24.42 Favored Glycine 0 C--N 1.343 0.924 0 C-N-CA 125.694 1.616 . . . . 0.0 111.326 176.875 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.04 177.83 7.1 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.503 0.668 . . . . 0.0 110.27 167.198 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.9 -28.6 69.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.132 0.973 . . . . 0.0 112.073 175.228 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 p -74.2 -11.04 60.18 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.218 1.807 . . . . 0.0 113.553 173.568 . . . . . . . . 1 1 . 1 . 036 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.526 0 N-CA-C 106.211 -2.755 . . . . 0.0 106.211 -138.757 . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.602 0.239 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 037 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 t 35.87 -63.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 1 C-N-CA 133.381 4.672 . . . . 0.0 117.236 160.351 . . . . . . . . 2 2 . 1 . 037 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.15 -107.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 172.241 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.86 -38.56 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.786 1.235 . . . . 0.0 111.09 -174.895 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.2 -29.03 69.11 Favored Glycine 0 C--N 1.34 0.751 0 CA-C-O 119.344 -0.698 . . . . 0.0 111.606 -177.311 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.14 73.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 117.821 0.81 . . . . 0.0 110.855 172.791 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -66.21 -41.03 90.7 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.496 1.044 . . . . 0.0 109.488 169.574 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -67.61 -49.47 62.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 111.887 -169.71 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.47 -23.47 43.04 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.662 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.1 -78.7 1.33 Allowed Glycine 0 C--N 1.338 0.639 0 O-C-N 123.697 0.623 . . . . 0.0 112.444 -166.418 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.97 -49.18 77.69 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.166 1.387 . . . . 0.0 111.564 -177.385 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.75 -44.39 73.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.049 1.739 . . . . 0.0 110.031 175.29 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.4 -32.94 76.25 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 119.483 -0.621 . . . . 0.0 112.028 -176.121 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.63 78.14 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.616 1.208 . . . . 0.0 111.246 170.377 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 15.32 1.34 Allowed 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 170.707 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 65.42 2.25 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 126.559 2.028 . . . . 0.0 109.682 -168.31 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.6 m -67.12 64.21 0.06 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 129.586 3.154 . . . . 0.0 112.351 -169.934 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -68.15 150.1 48.76 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.828 1.251 . . . . 0.0 110.433 176.58 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.4 m -44.08 152.34 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 123.084 0.554 . . . . 0.0 111.227 146.929 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.7 174.44 48.41 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 164.945 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.08 16.37 2.19 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.971 1.708 . . . . 0.0 114.794 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -28.85 69.97 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.146 -0.971 . . . . 0.0 112.727 -178.84 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -78.46 -10.27 59.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.06 1.344 . . . . 0.0 112.913 174.303 . . . . . . . . 1 1 . 1 . 037 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-O 116.431 -2.316 . . . . 0.0 108.28 -139.011 . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 117.696 -1.145 . . . . 0.0 108.261 . . . . . . . . . 0 0 . 1 . 038 nuclear orig full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -140.18 -73.03 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 118.831 0.741 . . . . 0.0 111.133 -173.146 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.43 -111.79 0.54 Allowed Glycine 0 C--N 1.339 0.718 0 C-N-CA 125.444 1.497 . . . . 0.0 110.893 175.354 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.1 mm -57.81 -33.5 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.138 0.975 . . . . 0.0 110.499 -178.487 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.26 -32.02 80.83 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.996 0.808 . . . . 0.0 111.806 178.827 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.33 73.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.729 0.764 . . . . 0.0 111.428 172.329 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.46 -41.6 84.39 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 119.046 0.839 . . . . 0.0 108.931 172.54 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.85 -49.71 73.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.736 0.779 . . . . 0.0 111.873 -177.364 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -69.75 -38.41 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.126 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.57 -73.88 1.04 Allowed Glycine 0 C--O 1.227 -0.34 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.291 -159.981 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.1 -49.06 78.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.046 1.339 . . . . 0.0 111.19 -177.374 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tp -68.61 -48.21 64.71 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 126.712 2.005 . . . . 0.0 109.866 173.227 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.62 -27.15 74.02 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 119.133 0.879 . . . . 0.0 112.588 -172.392 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.47 89.8 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.857 1.329 . . . . 0.0 110.967 169.479 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . 0.421 ' C ' ' H ' ' A' ' 17' ' ' SER . . . -80.1 14.25 1.95 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 170.301 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.5 35.38 1.16 Allowed Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.929 1.252 . . . . 0.0 111.38 176.745 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.421 ' H ' ' C ' ' A' ' 15' ' ' ALA . 6.2 m -63.92 -33.14 75.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.2 1.4 . . . . 0.0 111.984 -164.779 . . . . . . . . 2 2 . 1 . 038 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.6 m -76.54 56.49 1.12 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.092 1.357 . . . . 0.0 109.18 170.594 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 m -43.74 114.73 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.257 1.823 . . . . 0.0 112.119 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.26 -25.67 33.01 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.575 -0.57 . . . . 0.0 113.442 -168.948 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.31 60.92 0.9 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.954 1.302 . . . . 0.0 108.816 -179.352 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -28.41 69.36 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.857 -0.527 . . . . 0.0 111.992 -178.199 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 p -71.31 -13.56 61.92 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.995 2.118 . . . . 0.0 114.018 172.866 . . . . . . . . 1 1 . 1 . 038 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.618 0 CA-C-O 118.219 -1.323 . . . . 0.0 110.033 -139.468 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.463 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.04 -34.07 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.136 0.974 . . . . 0.0 110.388 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.79 84.63 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.006 0.812 . . . . 0.0 111.813 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.49 72.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 117.88 0.84 . . . . 0.0 110.941 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.28 -39.31 82.18 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.352 0.978 . . . . 0.0 109.398 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.15 -49.46 67.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.22 1.009 . . . . 0.0 112.257 -173.068 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -72.39 -36.67 68.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.71 -71.28 0.97 Allowed Glycine 0 N--CA 1.463 0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.706 -160.733 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.07 -49.22 78.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.045 1.338 . . . . 0.0 111.165 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.54 -43.47 80.66 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.898 1.679 . . . . 0.0 110.011 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 CA-C-N 119.314 0.961 . . . . 0.0 112.422 -177.931 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.428 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.82 -34.85 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.137 0.975 . . . . 0.0 110.867 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.11 71.34 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.413 -0.659 . . . . 0.0 111.972 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.88 76.96 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 117.892 0.846 . . . . 0.0 110.27 172.123 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.91 -39.89 83.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 118.863 0.756 . . . . 0.0 109.793 171.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.56 -49.47 66.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.117 0.961 . . . . 0.0 112.087 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.01 -36.96 67.12 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.46 -74.92 1.23 Allowed Glycine 0 N--CA 1.462 0.391 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.034 -160.66 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.02 -49.08 78.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.233 1.413 . . . . 0.0 111.207 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.67 -48.21 64.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.042 1.737 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 CA-C-N 119.097 0.862 . . . . 0.0 112.587 -173.714 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.291 0 CA-C-O 122.605 1.114 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.0 -33.41 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.394 1.078 . . . . 0.0 110.478 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.44 -32.16 78.51 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.28 75.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.312 0.556 . . . . 0.0 110.27 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.93 -40.43 83.32 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.619 0.645 . . . . 0.0 109.829 171.233 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.67 -49.49 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.555 0.742 . . . . 0.0 111.706 -168.244 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pp -80.51 -22.5 40.89 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.68 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.99 -80.23 1.46 Allowed Glycine 0 C--N 1.337 0.616 0 O-C-N 123.605 0.566 . . . . 0.0 112.542 -165.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.43 -48.99 77.68 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.796 1.638 . . . . 0.0 111.675 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.67 -46.38 72.52 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.024 1.73 . . . . 0.0 109.8 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.203 0 CA-C-O 119.278 -0.734 . . . . 0.0 112.46 -174.941 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.475 0 CA-C-O 122.542 1.079 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.69 -31.19 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.523 0.729 . . . . 0.0 109.717 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.33 -16.91 75.68 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.457 1.503 . . . . 0.0 113.245 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.42 77.58 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.632 1.716 . . . . 0.0 109.682 162.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.84 -37.55 84.69 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.12 -49.76 68.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.174 0.988 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.93 -36.6 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.168 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.88 -72.92 1.07 Allowed Glycine 0 C--O 1.226 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.178 -159.691 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.16 -49.17 78.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.38 1.472 . . . . 0.0 111.181 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.47 -40.95 73.36 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.281 1.833 . . . . 0.0 110.211 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.155 0 CA-C-N 119.053 0.842 . . . . 0.0 111.851 179.458 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.369 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.97 -37.27 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.719 1.208 . . . . 0.0 110.786 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.79 -32.01 67.07 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.29 -30.96 70.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.481 0.64 . . . . 0.0 111.324 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.46 -41.85 83.97 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.642 1.11 . . . . 0.0 109.626 167.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -68.12 -49.59 60.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.131 0.491 . . . . 0.0 111.943 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -80.55 -21.75 41.47 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.801 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.06 -81.17 1.54 Allowed Glycine 0 C--N 1.339 0.735 0 O-C-N 123.604 0.565 . . . . 0.0 111.888 -168.695 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.13 -49.01 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.345 1.458 . . . . 0.0 111.707 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.52 -49.39 33.12 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.283 1.833 . . . . 0.0 110.229 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 CA-C-N 118.663 0.665 . . . . 0.0 112.579 -170.598 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.91 -33.61 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.228 1.011 . . . . 0.0 110.467 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.75 -32.25 82.36 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 123.972 0.796 . . . . 0.0 111.738 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.83 72.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.678 0.739 . . . . 0.0 111.07 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.91 -39.92 83.49 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 119.376 0.989 . . . . 0.0 109.194 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.15 -49.36 72.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.41 1.1 . . . . 0.0 112.166 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.26 -37.72 69.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.49 -69.77 0.92 Allowed Glycine 0 C--O 1.224 -0.484 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.742 -158.859 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.59 -49.24 74.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 tp -66.6 -41.88 87.76 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.103 1.761 . . . . 0.0 109.719 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.249 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.859 179.537 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -55.48 -36.68 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.331 1.052 . . . . 0.0 111.291 -174.52 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.53 -30.18 69.11 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-O 119.491 -0.616 . . . . 0.0 111.565 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.26 75.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.638 0.719 . . . . 0.0 110.543 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.5 -40.6 85.19 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 118.949 0.795 . . . . 0.0 109.882 170.326 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.41 -49.49 63.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.165 0.983 . . . . 0.0 112.207 -170.636 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.19 -35.9 69.07 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.97 -74.55 1.15 Allowed Glycine 0 N--CA 1.463 0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.295 -160.559 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.51 -48.95 79.12 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.005 1.322 . . . . 0.0 111.369 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.74 -47.36 69.5 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.294 1.838 . . . . 0.0 110.03 173.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 CA-C-N 119.286 0.948 . . . . 0.0 112.476 -174.434 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 122.56 1.089 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.49 -31.26 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.605 0.717 . . . . 0.0 109.749 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.28 -16.88 75.58 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.187 1.851 . . . . 0.0 113.148 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.82 -45.95 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 119.467 1.634 . . . . 0.0 109.513 162.059 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.4 -38.01 89.54 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 123.419 0.688 . . . . 0.0 109.764 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -60.49 -49.06 79.06 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.339 1.456 . . . . 0.0 112.532 -175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -76.3 -38.55 55.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.106 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.28 -67.47 0.9 Allowed Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.662 -157.357 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -67.07 -49.19 65.91 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.925 1.29 . . . . 0.0 110.618 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 tp -63.9 -42.98 97.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.702 1.601 . . . . 0.0 109.808 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.215 0 CA-C-O 119.034 -0.87 . . . . 0.0 112.263 179.658 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.447 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.72 -35.57 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.049 0.94 . . . . 0.0 110.78 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.92 -27.88 71.51 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-O 119.362 -0.688 . . . . 0.0 111.931 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.42 76.08 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 117.842 0.821 . . . . 0.0 110.237 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.22 -41.4 81.35 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.033 0.833 . . . . 0.0 109.947 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.74 -49.51 68.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.363 1.077 . . . . 0.0 112.285 -168.532 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.66 -38.01 55.29 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.24 -71.73 1.15 Allowed Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.854 -160.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.58 -49.24 76.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.974 0.91 . . . . 0.0 111.614 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.87 -45.13 83.22 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.164 1.786 . . . . 0.0 109.759 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.026 -179.072 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.5 mm -57.95 -34.19 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 123.844 0.858 . . . . 0.0 110.788 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -26.83 73.34 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.0 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.79 74.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 118.201 1.001 . . . . 0.0 110.494 171.109 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.17 -39.65 82.52 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.136 0.88 . . . . 0.0 109.85 171.626 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.15 -49.58 64.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.163 0.982 . . . . 0.0 112.236 -171.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.83 -36.64 64.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.3 -72.83 1.08 Allowed Glycine 0 N--CA 1.462 0.406 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.219 -160.535 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -59.38 -48.97 79.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.447 1.099 . . . . 0.0 111.347 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.97 -47.36 71.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.066 1.747 . . . . 0.0 110.106 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.099 0 CA-C-O 119.008 -0.884 . . . . 0.0 113.038 -175.572 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.454 0 CA-C-O 122.259 0.922 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -58.65 -33.31 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.992 0.917 . . . . 0.0 110.35 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.55 79.42 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.783 0.706 . . . . 0.0 111.721 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -32.06 71.61 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 117.881 0.841 . . . . 0.0 111.117 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.17 -41.4 81.55 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.224 0.92 . . . . 0.0 109.437 169.526 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -65.22 -49.45 69.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.341 1.067 . . . . 0.0 112.164 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.5 -40.42 66.88 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.02 -70.92 1.04 Allowed Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.14 -157.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.62 -49.2 78.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.276 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.83 -46.01 76.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 126.211 1.805 . . . . 0.0 109.876 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 CA-C-N 119.405 1.002 . . . . 0.0 112.493 -177.415 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.438 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.5 mm -58.29 -33.18 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 124.104 0.962 . . . . 0.0 110.553 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.16 -32.64 82.87 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 123.92 0.771 . . . . 0.0 111.686 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.828 0.814 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.77 -39.89 84.07 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.233 0.924 . . . . 0.0 109.048 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.97 -49.46 70.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.315 1.055 . . . . 0.0 112.198 -173.012 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.38 -36.78 71.55 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.27 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.64 -71.78 0.96 Allowed Glycine 0 N--CA 1.463 0.441 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.68 -159.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.49 -49.24 77.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.119 1.368 . . . . 0.0 111.187 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.58 -42.18 82.96 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.193 1.797 . . . . 0.0 109.932 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.19 0 CA-C-N 119.224 0.92 . . . . 0.0 112.095 -179.172 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -56.4 -37.15 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 124.245 1.018 . . . . 0.0 111.134 -174.484 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.05 71.38 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.47 70.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.382 0.591 . . . . 0.0 111.174 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.81 -42.47 81.49 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 119.356 0.98 . . . . 0.0 109.579 168.419 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.45 -49.7 62.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.041 0.448 . . . . 0.0 111.75 -167.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.32 -18.95 37.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.192 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -81.29 1.55 Allowed Glycine 0 C--N 1.339 0.716 0 O-C-N 123.477 0.486 . . . . 0.0 112.086 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.26 -49.02 73.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.503 1.521 . . . . 0.0 111.814 -176.803 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.15 -47.48 35.64 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 126.309 1.843 . . . . 0.0 110.022 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.101 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.76 -170.615 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.73 -33.91 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 124.086 0.955 . . . . 0.0 110.64 -176.742 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.0 -33.01 82.48 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -30.59 69.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.382 0.673 . . . . 0.0 111.032 175.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.01 -41.71 81.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 109.295 167.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.7 -49.49 65.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.257 0.551 . . . . 0.0 111.918 -170.171 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.53 -23.45 42.86 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.882 175.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.13 -79.14 1.37 Allowed Glycine 0 C--N 1.337 0.632 0 O-C-N 123.612 0.57 . . . . 0.0 112.671 -167.613 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -56.78 -49.04 76.5 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.674 1.59 . . . . 0.0 111.809 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.63 -42.84 73.77 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.11 1.764 . . . . 0.0 109.965 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.288 0 CA-C-N 118.82 0.736 . . . . 0.0 112.043 -177.668 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.408 0 CA-C-O 122.295 0.942 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.67 -33.9 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.228 1.011 . . . . 0.0 110.405 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.68 -31.75 79.37 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.644 0.64 . . . . 0.0 111.709 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.0 73.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.82 0.81 . . . . 0.0 110.737 173.572 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -67.98 -40.45 83.13 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.003 0.819 . . . . 0.0 109.32 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.1 -49.47 67.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.254 1.026 . . . . 0.0 112.092 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.33 -36.1 68.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.93 -73.14 1.05 Allowed Glycine 0 N--CA 1.462 0.422 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.45 -160.09 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.07 -49.02 79.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.084 1.354 . . . . 0.0 111.368 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -67.55 -43.26 81.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.376 1.87 . . . . 0.0 110.175 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 CA-C-N 119.255 0.934 . . . . 0.0 112.194 -177.759 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.403 0 CA-C-O 122.523 1.068 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.3 mm -60.46 -31.86 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.37 -28.64 72.33 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.085 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.88 73.27 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 118.548 1.174 . . . . 0.0 110.478 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.15 -39.83 82.55 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.895 0.77 . . . . 0.0 109.257 170.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.58 -49.65 62.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.135 -0.353 . . . . 0.0 111.574 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.16 -20.77 44.08 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.145 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -80.38 1.47 Allowed Glycine 0 N--CA 1.465 0.583 0 O-C-N 123.471 0.482 . . . . 0.0 112.696 -169.859 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.82 -48.85 74.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.323 1.849 . . . . 0.0 111.559 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -73.36 -45.67 53.62 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.113 1.765 . . . . 0.0 110.254 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 CA-C-N 119.168 0.895 . . . . 0.0 113.133 -172.953 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.48 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.75 -34.24 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.85 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.65 -14.53 75.21 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.758 1.647 . . . . 0.0 113.893 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.2 60.01 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 120.004 1.902 . . . . 0.0 109.178 159.351 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.53 -35.98 81.13 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.584 0.754 . . . . 0.0 110.289 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.99 -49.47 72.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.241 1.016 . . . . 0.0 112.257 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -21.31 31.68 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.248 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.51 -77.11 1.23 Allowed Glycine 0 C--O 1.224 -0.521 0 O-C-N 123.525 0.516 . . . . 0.0 111.931 -163.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.97 -49.28 73.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.943 1.297 . . . . 0.0 111.176 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.57 -44.56 86.37 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.723 1.609 . . . . 0.0 109.806 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.121 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.919 -178.356 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.423 0 CA-C-O 122.063 0.813 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mm -54.42 -35.58 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.364 1.466 . . . . 0.0 111.091 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.8 -30.57 70.37 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.26 79.55 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 117.463 0.632 . . . . 0.0 110.666 171.324 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.78 -41.42 97.95 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.092 0.86 . . . . 0.0 109.776 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.1 -49.57 75.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.921 0.488 . . . . 0.0 111.424 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -81.05 -24.1 38.09 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.468 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.79 1.27 Allowed Glycine 0 C--O 1.225 -0.465 0 C-N-CA 123.822 0.725 . . . . 0.0 112.192 -166.034 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.62 -49.27 78.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.242 1.417 . . . . 0.0 111.511 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.91 -42.79 80.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.711 1.604 . . . . 0.0 109.807 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.247 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.209 -177.813 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.525 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.21 -34.15 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.17 -29.17 70.64 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.417 -0.657 . . . . 0.0 111.977 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.78 74.76 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.951 0.875 . . . . 0.0 110.523 172.08 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.51 -40.06 85.13 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 119.166 0.894 . . . . 0.0 109.434 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.53 -49.45 68.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.301 1.048 . . . . 0.0 112.197 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -71.64 -36.95 70.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.57 -70.91 0.96 Allowed Glycine 0 N--CA 1.463 0.435 0 CA-C-N 115.322 -0.853 . . . . 0.0 112.831 -159.159 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.45 -49.25 76.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 111.169 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.41 -41.32 85.08 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 126.266 1.827 . . . . 0.0 110.008 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.18 0 CA-C-N 119.067 0.848 . . . . 0.0 112.077 179.514 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-O 122.521 1.067 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.97 -34.79 64.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.821 0.82 . . . . 0.0 109.958 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.58 -14.04 74.79 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 118.163 -1.354 . . . . 0.0 114.035 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.47 74.62 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 120.15 1.975 . . . . 0.0 110.033 160.489 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.74 -36.89 85.35 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.2 0.6 . . . . 0.0 109.483 -177.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -58.67 -49.7 76.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.597 0.759 . . . . 0.0 111.86 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.17 -24.48 30.15 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.913 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.88 -78.12 1.3 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 124.102 0.858 . . . . 0.0 111.633 -166.637 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.87 -49.12 78.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.28 1.432 . . . . 0.0 111.341 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.57 -44.78 77.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.531 1.532 . . . . 0.0 110.011 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.112 -175.069 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.476 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.47 -34.53 58.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 123.973 0.909 . . . . 0.0 109.895 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.56 -15.58 75.46 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.748 1.642 . . . . 0.0 114.024 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -45.95 69.0 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.961 1.88 . . . . 0.0 109.838 160.247 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.9 -35.24 77.78 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.529 0.732 . . . . 0.0 109.647 -177.061 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.9 -49.75 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.494 0.718 . . . . 0.0 111.783 -178.642 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pp -84.06 -23.77 30.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.561 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.61 -74.26 1.06 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 124.289 0.947 . . . . 0.0 111.872 -166.193 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.68 -49.38 66.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.796 1.238 . . . . 0.0 111.154 -174.703 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.57 -42.69 86.64 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.935 1.694 . . . . 0.0 109.559 174.698 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.103 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.665 -177.623 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.446 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.6 mm -56.33 -35.52 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.47 1.108 . . . . 0.0 110.87 -175.745 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.89 -28.49 70.55 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.252 -0.749 . . . . 0.0 111.567 -177.578 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.33 74.0 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 118.149 0.974 . . . . 0.0 110.727 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.86 -42.2 81.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.972 0.805 . . . . 0.0 109.544 172.022 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -66.48 -49.64 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -172.79 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -81.62 -24.0 36.66 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.91 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -76.64 1.18 Allowed Glycine 0 C--N 1.336 0.576 0 O-C-N 123.688 0.617 . . . . 0.0 111.804 -167.997 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.03 -49.16 78.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.205 1.002 . . . . 0.0 111.608 -175.11 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.54 -44.97 77.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.053 1.741 . . . . 0.0 109.855 174.531 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.269 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.222 -175.647 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.491 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.25 -37.06 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.058 0.943 . . . . 0.0 109.938 -178.604 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.67 -15.77 75.77 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.008 1.29 . . . . 0.0 113.828 177.61 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.71 74.25 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.099 1.949 . . . . 0.0 109.788 161.677 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.11 -35.88 81.75 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.451 0.7 . . . . 0.0 109.742 -177.618 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -59.55 -49.8 76.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.871 0.468 . . . . 0.0 111.636 -177.823 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.03 -20.83 32.06 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.467 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.05 1.22 Allowed Glycine 0 C--O 1.226 -0.397 0 C-N-CA 124.486 1.041 . . . . 0.0 111.782 -167.807 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -64.6 -49.24 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.69 1.596 . . . . 0.0 111.059 -174.823 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.11 -44.09 73.14 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.85 1.66 . . . . 0.0 109.717 174.524 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.083 0 CA-C-O 119.191 -0.783 . . . . 0.0 111.89 -175.047 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.529 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -55.41 -35.86 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.815 1.246 . . . . 0.0 110.868 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -29.74 69.02 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.336 -0.702 . . . . 0.0 111.683 -177.912 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.84 74.86 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 117.987 0.893 . . . . 0.0 110.803 172.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.34 -42.06 84.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 118.876 0.762 . . . . 0.0 109.357 172.408 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -66.35 -49.76 65.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.346 -173.412 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.49 -23.72 42.79 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.17 -79.75 1.42 Allowed Glycine 0 C--N 1.335 0.481 0 O-C-N 123.64 0.587 . . . . 0.0 111.997 -168.502 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -56.59 -49.12 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 111.623 -175.623 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -70.8 -47.07 61.42 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.183 1.793 . . . . 0.0 110.044 173.411 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 CA-C-O 119.266 -0.741 . . . . 0.0 112.725 -171.166 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.349 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mm -59.59 -36.44 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.669 0.787 . . . . 0.0 110.009 -177.838 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -15.69 75.59 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 125.417 1.485 . . . . 0.0 113.734 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.51 57.69 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.744 1.772 . . . . 0.0 109.196 160.117 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.03 -35.38 78.42 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.63 0.772 . . . . 0.0 110.516 -174.559 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.54 -49.59 70.65 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.669 1.188 . . . . 0.0 112.222 -169.65 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.52 -20.68 31.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.91 173.14 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.49 -76.73 1.21 Allowed Glycine 0 C--O 1.224 -0.508 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 -163.737 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.02 -49.27 75.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.824 1.249 . . . . 0.0 110.949 -177.7 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.13 -45.65 84.16 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.177 1.391 . . . . 0.0 109.863 176.158 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.225 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.23 -177.722 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.481 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -61.16 -34.59 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.925 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.53 -15.3 75.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.836 1.684 . . . . 0.0 113.704 176.991 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.0 64.1 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.817 1.809 . . . . 0.0 109.522 160.212 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.66 -35.26 79.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.848 0.859 . . . . 0.0 110.003 -176.365 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -62.43 -49.32 75.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.656 1.182 . . . . 0.0 111.88 -173.583 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -83.88 -20.9 32.26 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.495 175.742 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.81 -78.54 1.33 Allowed Glycine 0 C--N 1.335 0.482 0 O-C-N 123.623 0.577 . . . . 0.0 112.112 -165.02 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.24 -49.08 78.57 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.821 1.649 . . . . 0.0 111.281 -177.764 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -66.73 -43.73 83.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.424 1.489 . . . . 0.0 109.873 175.529 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.274 0 CA-C-O 119.49 -0.617 . . . . 0.0 112.045 -178.474 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.391 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.9 mm -55.75 -35.89 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.757 1.223 . . . . 0.0 110.921 -174.624 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.95 68.84 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -177.219 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.42 75.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.83 0.815 . . . . 0.0 110.616 173.416 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.32 -42.73 83.13 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 118.898 0.772 . . . . 0.0 109.338 172.93 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -65.43 -49.59 68.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.643 -172.484 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.91 -23.87 38.63 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.163 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.09 -78.42 1.31 Allowed Glycine 0 C--N 1.336 0.56 0 O-C-N 123.615 0.572 . . . . 0.0 111.752 -167.515 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -58.39 -49.33 77.63 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.784 1.234 . . . . 0.0 111.633 -175.95 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.55 -44.63 74.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.175 1.79 . . . . 0.0 110.08 175.489 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.236 0 CA-C-O 119.509 -0.606 . . . . 0.0 111.911 -175.491 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.1 mm -56.17 -36.84 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.183 0.993 . . . . 0.0 111.511 -174.154 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.03 69.59 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.52 72.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.588 0.694 . . . . 0.0 111.32 173.841 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.58 -42.13 83.02 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.272 0.942 . . . . 0.0 109.682 169.983 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -67.18 -49.73 63.56 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.293 -172.978 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.63 -23.28 45.95 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.743 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.15 -79.01 1.35 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.209 -169.314 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.25 -48.9 77.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.533 1.533 . . . . 0.0 111.524 -175.855 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.03 -43.88 64.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.275 1.83 . . . . 0.0 110.313 173.657 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.134 0 CA-C-N 118.996 0.817 . . . . 0.0 112.422 -174.435 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.415 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.86 -34.04 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.229 1.012 . . . . 0.0 110.397 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.13 73.1 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 123.572 0.606 . . . . 0.0 111.974 179.892 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.61 74.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.018 0.909 . . . . 0.0 111.169 171.11 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -67.92 -39.39 83.54 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.964 0.802 . . . . 0.0 109.151 172.383 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.42 -50.13 66.61 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.126 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.25 -37.22 83.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.989 0.899 . . . . 0.0 108.96 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -70.4 0.88 Allowed Glycine 0 CA--C 1.519 0.32 0 CA-C-N 114.175 -1.375 . . . . 0.0 112.072 -162.392 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.55 -49.19 74.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.024 1.33 . . . . 0.0 111.175 -176.001 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tp -69.42 -43.85 72.56 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 126.032 1.733 . . . . 0.0 109.69 173.319 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 CA-C-N 119.785 1.175 . . . . 0.0 111.979 -175.333 . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.411 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 030 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.82 -36.42 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 125.148 1.379 . . . . 0.0 110.374 -174.502 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.17 -34.82 81.86 Favored Glycine 0 C--N 1.341 0.841 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -177.691 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.99 73.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.308 0.643 . . . . 0.0 111.013 176.879 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.92 -44.83 75.95 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 109.783 170.357 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -65.82 -49.69 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.243 -169.423 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.83 -20.62 32.88 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.661 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.02 -82.78 1.68 Allowed Glycine 0 C--N 1.336 0.571 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -171.211 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -51.64 -48.51 63.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.091 1.356 . . . . 0.0 111.897 -176.348 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.74 -52.55 8.22 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.412 1.485 . . . . 0.0 110.213 171.509 . . . . . . . . 1 1 . 1 . 030 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 CA-C-O 118.74 -1.033 . . . . 0.0 114.096 -163.705 . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 031 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.84 -31.63 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.73 0.776 . . . . 0.0 109.568 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.4 -15.8 75.24 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.729 1.633 . . . . 0.0 113.287 176.623 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.83 72.53 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.585 1.693 . . . . 0.0 109.595 161.885 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.15 -39.87 90.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -175.942 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -57.91 -49.55 76.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.812 0.815 . . . . 0.0 112.397 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.88 -36.85 49.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.876 -177.195 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.9 -71.8 0.96 Allowed Glycine 0 C--O 1.226 -0.356 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.827 -161.432 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -60.52 -49.02 79.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.441 1.097 . . . . 0.0 111.035 -176.418 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.84 -47.12 72.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.808 1.643 . . . . 0.0 110.048 172.752 . . . . . . . . 1 1 . 1 . 031 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 CA-C-N 119.083 0.856 . . . . 0.0 112.501 -173.319 . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.461 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 032 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.26 -32.91 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 123.85 0.86 . . . . 0.0 109.679 178.878 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.46 -17.01 75.94 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.613 1.578 . . . . 0.0 113.512 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.17 72.23 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.724 1.762 . . . . 0.0 109.346 162.278 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.25 -38.87 92.85 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 123.326 0.65 . . . . 0.0 109.353 -177.925 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -58.34 -49.77 76.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 122.015 0.912 . . . . 0.0 111.866 178.845 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.44 -36.55 63.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.032 -176.041 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -69.04 0.84 Allowed Glycine 0 CA--C 1.523 0.544 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.793 -163.657 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -66.75 -49.23 66.64 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 110.991 -174.467 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.63 -40.96 93.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.815 1.646 . . . . 0.0 109.56 170.192 . . . . . . . . 1 1 . 1 . 032 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.13 0 CA-C-N 119.135 0.879 . . . . 0.0 112.417 -176.243 . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.329 0 CA-C-O 122.317 0.954 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 033 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.41 -35.29 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 110.476 -177.465 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.88 73.89 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -178.208 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.84 76.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 117.417 0.608 . . . . 0.0 110.784 173.681 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.19 -42.79 88.37 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 118.953 0.797 . . . . 0.0 109.422 172.599 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -65.41 -49.65 68.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.163 -172.445 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.44 -23.09 46.75 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.465 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.21 -81.91 1.6 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 123.388 0.518 . . . . 0.0 112.446 -168.708 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -53.16 -48.92 67.58 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.366 1.866 . . . . 0.0 111.516 -177.303 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -73.92 -48.38 31.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 126.039 1.736 . . . . 0.0 110.186 173.616 . . . . . . . . 1 1 . 1 . 033 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 CA-C-O 119.202 -0.777 . . . . 0.0 112.632 -168.464 . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.439 0 CA-C-O 122.631 1.128 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 034 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.4 mm -61.11 -35.89 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.962 0.905 . . . . 0.0 109.935 -178.289 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.68 -14.58 75.31 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.032 -1.426 . . . . 0.0 113.999 176.463 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -43.23 75.37 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 120.375 2.088 . . . . 0.0 109.68 161.461 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.83 -37.49 87.0 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.292 0.637 . . . . 0.0 109.327 -178.658 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -60.94 -50.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 0.0 111.294 -174.12 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.22 -19.34 34.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.775 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.01 -74.75 1.07 Allowed Glycine 0 C--O 1.224 -0.492 0 C-N-CA 124.389 0.995 . . . . 0.0 111.869 -168.316 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.84 -49.31 66.15 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.607 1.563 . . . . 0.0 110.95 -176.264 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.77 -40.01 63.77 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.493 1.917 . . . . 0.0 109.727 175.166 . . . . . . . . 1 1 . 1 . 034 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.22 0 CA-C-O 118.891 -0.949 . . . . 0.0 112.64 178.913 . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.324 0 CA-C-O 122.859 1.255 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 035 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -57.84 -33.85 46.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.749 1.22 . . . . 0.0 110.346 -178.293 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.71 83.03 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -32.73 72.8 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 117.444 0.622 . . . . 0.0 111.438 174.111 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.63 -43.94 75.28 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 119.069 0.849 . . . . 0.0 110.189 171.595 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.32 -49.69 70.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.526 -171.951 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.65 -38.54 47.52 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.052 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.0 -72.22 1.12 Allowed Glycine 0 N--CA 1.462 0.393 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -160.933 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -55.24 -48.81 73.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.686 0.794 . . . . 0.0 111.271 -178.318 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.09 -50.99 23.67 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.476 1.51 . . . . 0.0 110.804 175.682 . . . . . . . . 1 1 . 1 . 035 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 CA-C-N 119.724 1.147 . . . . 0.0 113.535 -173.785 . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.527 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 036 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.09 -34.5 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.995 0.918 . . . . 0.0 110.833 -176.44 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.14 -31.47 74.89 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.924 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.54 -31.67 71.07 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.923 0.861 . . . . 0.0 111.006 172.957 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.55 -40.72 84.99 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.174 0.897 . . . . 0.0 109.104 169.391 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -66.66 -49.37 66.38 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.129 0.572 . . . . 0.0 111.816 -170.582 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 pp -77.98 -23.75 48.3 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.002 175.682 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.14 -80.77 1.5 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.687 0.617 . . . . 0.0 112.682 -166.783 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.94 -48.95 74.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.25 1.82 . . . . 0.0 111.731 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 tp -69.43 -44.3 71.62 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.114 1.766 . . . . 0.0 110.03 174.141 . . . . . . . . 1 1 . 1 . 036 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.253 0 CA-C-N 118.788 0.722 . . . . 0.0 112.143 -175.507 . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 037 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.86 -38.56 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.786 1.235 . . . . 0.0 111.09 -174.895 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.2 -29.03 69.11 Favored Glycine 0 C--N 1.34 0.751 0 CA-C-O 119.344 -0.698 . . . . 0.0 111.606 -177.311 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.14 73.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 117.821 0.81 . . . . 0.0 110.855 172.791 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -66.21 -41.03 90.7 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.496 1.044 . . . . 0.0 109.488 169.574 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -67.61 -49.47 62.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 111.887 -169.71 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.47 -23.47 43.04 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.662 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.1 -78.7 1.33 Allowed Glycine 0 C--N 1.338 0.639 0 O-C-N 123.697 0.623 . . . . 0.0 112.444 -166.418 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.97 -49.18 77.69 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.166 1.387 . . . . 0.0 111.564 -177.385 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.75 -44.39 73.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.049 1.739 . . . . 0.0 110.031 175.29 . . . . . . . . 1 1 . 1 . 037 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.159 0 CA-C-O 119.483 -0.621 . . . . 0.0 112.028 -176.121 . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.465 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 038 nuclear build core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.1 mm -57.81 -33.5 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.138 0.975 . . . . 0.0 110.499 -178.487 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.26 -32.02 80.83 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.996 0.808 . . . . 0.0 111.806 178.827 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.33 73.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.729 0.764 . . . . 0.0 111.428 172.329 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.46 -41.6 84.39 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 119.046 0.839 . . . . 0.0 108.931 172.54 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.85 -49.71 73.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.736 0.779 . . . . 0.0 111.873 -177.364 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -69.75 -38.41 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.126 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.57 -73.88 1.04 Allowed Glycine 0 C--O 1.227 -0.34 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.291 -159.981 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.1 -49.06 78.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.046 1.339 . . . . 0.0 111.19 -177.374 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tp -68.61 -48.21 64.71 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 126.712 2.005 . . . . 0.0 109.866 173.227 . . . . . . . . 1 1 . 1 . 038 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 CA-C-N 119.133 0.879 . . . . 0.0 112.588 -172.392 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 117.812 -1.089 . . . . 0.0 108.15 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.4 t -139.83 -72.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 118.762 0.71 . . . . 0.0 110.959 -171.663 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.4 -112.19 0.54 Allowed Glycine 0 C--N 1.339 0.74 0 C-N-CA 124.975 1.274 . . . . 0.0 110.587 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.04 -34.07 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.136 0.974 . . . . 0.0 110.388 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.79 84.63 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.006 0.812 . . . . 0.0 111.813 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.49 72.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 117.88 0.84 . . . . 0.0 110.941 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.28 -39.31 82.18 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.352 0.978 . . . . 0.0 109.398 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.15 -49.46 67.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.22 1.009 . . . . 0.0 112.257 -173.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -72.39 -36.67 68.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.71 -71.28 0.97 Allowed Glycine 0 N--CA 1.463 0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.706 -160.733 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.07 -49.22 78.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.045 1.338 . . . . 0.0 111.165 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.54 -43.47 80.66 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.898 1.679 . . . . 0.0 110.011 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.54 -31.26 73.49 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 119.314 0.961 . . . . 0.0 112.422 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.76 88.49 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.962 1.381 . . . . 0.0 111.078 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.22 15.21 1.24 Allowed 'General case' 0 C--O 1.233 0.203 0 N-CA-C 113.52 0.934 . . . . 0.0 113.52 169.26 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.4 41.97 1.41 Allowed Glycine 0 CA--C 1.526 0.727 0 C-N-CA 125.199 1.38 . . . . 0.0 111.115 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m -69.43 -13.23 62.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.515 1.126 . . . . 0.0 112.712 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -90.16 143.97 26.29 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.421 1.088 . . . . 0.0 109.351 169.22 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.7 t -43.94 -32.49 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 125.244 1.418 . . . . 0.0 112.085 159.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.71 39.59 1.54 Allowed Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.348 0.975 . . . . 0.0 113.278 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.94 176.96 10.94 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.368 1.467 . . . . 0.0 109.943 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.11 69.0 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.31 1.044 . . . . 0.0 113.287 -174.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 t -77.49 -9.57 58.98 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.14 -1.41 . . . . 0.0 113.751 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.831 -1.538 . . . . 0.0 112.823 -175.815 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.1 t 66.27 -68.0 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 128.308 2.643 . . . . 0.0 113.784 166.545 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.13 -112.39 0.52 Allowed Glycine 0 C--N 1.335 0.483 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 172.474 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.82 -34.85 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.137 0.975 . . . . 0.0 110.867 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.11 71.34 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.413 -0.659 . . . . 0.0 111.972 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.88 76.96 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 117.892 0.846 . . . . 0.0 110.27 172.123 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.91 -39.89 83.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 118.863 0.756 . . . . 0.0 109.793 171.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.56 -49.47 66.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.117 0.961 . . . . 0.0 112.087 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.01 -36.96 67.12 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.46 -74.92 1.23 Allowed Glycine 0 N--CA 1.462 0.391 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.034 -160.66 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.02 -49.08 78.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.233 1.413 . . . . 0.0 111.207 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.67 -48.21 64.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.042 1.737 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.71 -28.57 73.03 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 119.097 0.862 . . . . 0.0 112.587 -173.714 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.64 87.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.8 1.3 . . . . 0.0 111.156 169.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.97 15.27 1.51 Allowed 'General case' 0 C--N 1.34 0.185 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.12 35.22 1.08 Allowed Glycine 0 CA--C 1.53 0.996 0 C-N-CA 125.144 1.354 . . . . 0.0 112.192 -174.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -63.86 -37.81 88.76 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.879 1.272 . . . . 0.0 110.164 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -73.62 88.7 1.7 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 161.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 m -43.46 122.17 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.779 1.232 . . . . 0.0 110.206 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.39 -11.42 79.85 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.266 -1.297 . . . . 0.0 115.588 -156.445 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 50.64 15.24 0.21 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.52 2.328 . . . . 0.0 116.206 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.16 82.46 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.768 -1.208 . . . . 0.0 112.922 -168.615 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t -79.3 -9.6 59.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.922 1.289 . . . . 0.0 113.041 171.823 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.61 0 N-CA-C 106.511 -2.635 . . . . 0.0 106.511 -138.495 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -134.18 -74.86 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.521 0.601 . . . . 0.0 111.609 -171.707 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.5 -115.36 0.59 Allowed Glycine 0 C--N 1.339 0.743 0 C-N-CA 124.736 1.16 . . . . 0.0 111.015 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.0 -33.41 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.394 1.078 . . . . 0.0 110.478 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.44 -32.16 78.51 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.28 75.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.312 0.556 . . . . 0.0 110.27 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.93 -40.43 83.32 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.619 0.645 . . . . 0.0 109.829 171.233 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.67 -49.49 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.555 0.742 . . . . 0.0 111.706 -168.244 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pp -80.51 -22.5 40.89 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.68 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.99 -80.23 1.46 Allowed Glycine 0 C--N 1.337 0.616 0 O-C-N 123.605 0.566 . . . . 0.0 112.542 -165.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.43 -48.99 77.68 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.796 1.638 . . . . 0.0 111.675 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.67 -46.38 72.52 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.024 1.73 . . . . 0.0 109.8 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -27.66 73.66 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 119.278 -0.734 . . . . 0.0 112.46 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.56 -34.19 76.45 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.912 1.356 . . . . 0.0 111.496 169.753 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 15.59 1.38 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 169.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.1 53.02 2.6 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 125.193 1.378 . . . . 0.0 111.133 -175.208 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.6 t -63.79 159.35 19.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.556 0.742 . . . . 0.0 109.347 168.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.0 m -68.02 -21.93 65.0 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.786 -0.571 . . . . 0.0 110.732 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -43.85 -33.88 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 124.685 1.194 . . . . 0.0 112.306 161.465 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.05 11.02 69.84 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.509 1.528 . . . . 0.0 114.351 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.57 46.97 0.09 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.863 1.831 . . . . 0.0 113.372 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.77 -29.94 70.93 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.701 -1.25 . . . . 0.0 112.093 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -78.98 -9.66 59.59 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.944 1.298 . . . . 0.0 112.997 171.362 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 116.745 -2.142 . . . . 0.0 107.884 -138.817 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 116.675 -1.631 . . . . 0.0 108.813 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -118.91 -53.76 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 120.367 1.44 . . . . 0.0 113.456 -161.268 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.34 -115.57 0.58 Allowed Glycine 0 C--N 1.341 0.856 0 CA-C-O 122.542 1.079 . . . . 0.0 110.632 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.69 -31.19 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.523 0.729 . . . . 0.0 109.717 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.33 -16.91 75.68 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.457 1.503 . . . . 0.0 113.245 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.42 77.58 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.632 1.716 . . . . 0.0 109.682 162.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.84 -37.55 84.69 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.12 -49.76 68.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.174 0.988 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.93 -36.6 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.168 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.88 -72.92 1.07 Allowed Glycine 0 C--O 1.226 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.178 -159.691 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.16 -49.17 78.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.38 1.472 . . . . 0.0 111.181 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.47 -40.95 73.36 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.281 1.833 . . . . 0.0 110.211 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.6 -34.08 77.87 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-N 119.053 0.842 . . . . 0.0 111.851 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.24 71.43 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.731 1.266 . . . . 0.0 111.576 170.314 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.44 15.29 1.3 Allowed 'General case' 0 C--N 1.341 0.213 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 170.153 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.1 39.78 1.19 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.479 1.514 . . . . 0.0 111.673 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.5 t -65.34 -32.64 74.39 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.27 1.028 . . . . 0.0 110.375 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -89.9 133.79 34.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 161.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.9 t -43.93 -42.41 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.876 1.27 . . . . 0.0 111.201 160.532 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.73 41.11 2.52 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.38 0.99 . . . . 0.0 112.824 -174.435 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.01 148.87 35.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.99 0.895 . . . . 0.0 110.013 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.29 -27.57 68.57 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.099 0.959 . . . . 0.0 112.742 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -66.5 -9.96 39.84 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 116.75 -1.595 . . . . 0.0 114.222 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.049 -1.973 . . . . 0.0 110.288 -179.114 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.71 -15.93 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.908 2.083 . . . . 0.0 112.664 -170.309 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.19 -103.75 0.51 Allowed Glycine 0 CA--C 1.52 0.369 0 C-N-CA 125.797 1.665 . . . . 0.0 110.594 169.254 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.97 -37.27 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.719 1.208 . . . . 0.0 110.786 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.79 -32.01 67.07 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.29 -30.96 70.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.481 0.64 . . . . 0.0 111.324 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.46 -41.85 83.97 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.642 1.11 . . . . 0.0 109.626 167.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -68.12 -49.59 60.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.131 0.491 . . . . 0.0 111.943 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -80.55 -21.75 41.47 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.801 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.06 -81.17 1.54 Allowed Glycine 0 C--N 1.339 0.735 0 O-C-N 123.604 0.565 . . . . 0.0 111.888 -168.695 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.13 -49.01 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.345 1.458 . . . . 0.0 111.707 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.52 -49.39 33.12 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.283 1.833 . . . . 0.0 110.229 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -31.13 73.4 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 118.663 0.665 . . . . 0.0 112.579 -170.598 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.96 76.01 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.36 1.08 . . . . 0.0 111.271 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.94 15.22 1.51 Allowed 'General case' 0 C--N 1.341 0.199 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 172.524 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.24 38.09 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.566 1.079 . . . . 0.0 111.641 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -73.78 47.06 0.24 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.225 2.21 . . . . 0.0 112.354 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 t -74.13 -173.71 1.71 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.775 1.23 . . . . 0.0 110.165 170.584 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 m -43.62 -52.21 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.078 1.351 . . . . 0.0 112.236 172.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.32 74.99 2.07 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 167.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 108.37 0.99 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.484 1.114 . . . . 0.0 111.938 -169.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.22 69.38 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.652 0.781 . . . . 0.0 111.96 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 p -66.26 -19.48 65.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.054 1.342 . . . . 0.0 113.518 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.597 0 CA-C-O 118.208 -1.329 . . . . 0.0 110.222 -141.819 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 117.722 -1.132 . . . . 0.0 107.998 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.9 t -139.92 -75.05 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 118.7 0.682 . . . . 0.0 110.845 -172.057 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.52 -111.86 0.55 Allowed Glycine 0 C--N 1.339 0.702 0 C-N-CA 125.701 1.62 . . . . 0.0 111.025 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.91 -33.61 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.228 1.011 . . . . 0.0 110.467 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.75 -32.25 82.36 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 123.972 0.796 . . . . 0.0 111.738 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.83 72.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.678 0.739 . . . . 0.0 111.07 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.91 -39.92 83.49 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 119.376 0.989 . . . . 0.0 109.194 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.15 -49.36 72.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.41 1.1 . . . . 0.0 112.166 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.26 -37.72 69.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.49 -69.77 0.92 Allowed Glycine 0 C--O 1.224 -0.484 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.742 -158.859 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.59 -49.24 74.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 tp -66.6 -41.88 87.76 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.103 1.761 . . . . 0.0 109.719 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -36.52 84.76 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.859 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.18 88.51 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.923 1.361 . . . . 0.0 111.084 170.342 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 15.26 0.51 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.07 40.59 1.23 Allowed Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.177 1.37 . . . . 0.0 111.706 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.9 t -64.12 129.77 41.31 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 171.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 p -68.22 -21.37 64.85 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.223 1.009 . . . . 0.0 112.714 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 t -44.05 -49.57 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.033 1.333 . . . . 0.0 111.876 159.083 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.44 -149.79 26.18 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 126.496 1.998 . . . . 0.0 111.045 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 65.57 -57.15 0.32 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 128.561 2.744 . . . . 0.0 112.731 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.03 98.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.763 0.825 . . . . 0.0 111.323 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 p -78.77 -10.08 59.66 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.518 1.927 . . . . 0.0 113.695 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.473 0 N-CA-C 106.46 -2.656 . . . . 0.0 106.46 -138.505 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 118.789 -0.624 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.436 HG23 ' H ' ' A' ' 2' ' ' VAL . 3.0 t -33.87 -19.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 1 C-N-CA 135.221 5.408 . . . . 0.0 118.096 -166.808 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.79 -104.42 0.47 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 164.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -55.48 -36.68 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.331 1.052 . . . . 0.0 111.291 -174.52 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.53 -30.18 69.11 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-O 119.491 -0.616 . . . . 0.0 111.565 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.26 75.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.638 0.719 . . . . 0.0 110.543 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.5 -40.6 85.19 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 118.949 0.795 . . . . 0.0 109.882 170.326 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.41 -49.49 63.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.165 0.983 . . . . 0.0 112.207 -170.636 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.19 -35.9 69.07 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.97 -74.55 1.15 Allowed Glycine 0 N--CA 1.463 0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.295 -160.559 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.51 -48.95 79.12 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.005 1.322 . . . . 0.0 111.369 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.74 -47.36 69.5 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.294 1.838 . . . . 0.0 110.03 173.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.57 -27.33 73.88 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 119.286 0.948 . . . . 0.0 112.476 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -30.76 70.68 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.752 1.276 . . . . 0.0 111.836 169.601 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.01 15.18 1.55 Allowed 'General case' 0 C--N 1.342 0.251 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 171.001 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.2 45.08 1.69 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.31 1.433 . . . . 0.0 111.092 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -68.51 -35.8 78.0 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.981 1.312 . . . . 0.0 110.171 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -90.05 162.38 15.37 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.291 0.636 . . . . 0.0 109.568 167.104 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.0 m -43.91 133.96 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 125.512 1.525 . . . . 0.0 111.972 170.531 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.71 146.89 18.35 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.27 96.01 1.78 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -28.19 69.03 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.571 0.748 . . . . 0.0 112.354 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -69.73 -16.05 63.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.788 1.635 . . . . 0.0 113.77 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 CA-C-O 116.566 -2.241 . . . . 0.0 109.805 -141.671 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 116.826 -1.559 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 t -118.75 -53.5 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 120.17 1.35 . . . . 0.0 113.362 -160.199 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -115.66 0.57 Allowed Glycine 0 C--N 1.341 0.846 0 CA-C-O 122.56 1.089 . . . . 0.0 110.619 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.49 -31.26 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.605 0.717 . . . . 0.0 109.749 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.28 -16.88 75.58 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.187 1.851 . . . . 0.0 113.148 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.82 -45.95 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 119.467 1.634 . . . . 0.0 109.513 162.059 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.4 -38.01 89.54 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 123.419 0.688 . . . . 0.0 109.764 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -60.49 -49.06 79.06 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.339 1.456 . . . . 0.0 112.532 -175.371 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -76.3 -38.55 55.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.106 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.28 -67.47 0.9 Allowed Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.662 -157.357 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -67.07 -49.19 65.91 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.925 1.29 . . . . 0.0 110.618 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 tp -63.9 -42.98 97.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.702 1.601 . . . . 0.0 109.808 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -35.37 81.28 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.034 -0.87 . . . . 0.0 112.263 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.5 93.24 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.232 1.516 . . . . 0.0 110.818 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.45 15.78 0.73 Allowed 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.24 52.58 2.61 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.574 1.083 . . . . 0.0 110.418 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.3 p -64.07 143.79 57.6 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.142 0.577 . . . . 0.0 110.302 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -68.47 -48.76 63.64 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.7 m -44.13 114.41 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.432 0.693 . . . . 0.0 111.299 154.234 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.41 -175.61 37.31 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.912 1.244 . . . . 0.0 110.007 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.59 -176.28 4.17 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.591 1.556 . . . . 0.0 110.226 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.16 69.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.389 0.676 . . . . 0.0 111.902 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t -76.76 -9.99 59.06 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 117.046 -1.454 . . . . 0.0 113.623 175.339 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.145 -1.919 . . . . 0.0 109.765 -169.609 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.5 t 66.41 -70.22 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 128.5 2.72 . . . . 0.0 113.396 165.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.18 -112.8 0.52 Allowed Glycine 0 C--N 1.335 0.492 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.72 -35.57 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.049 0.94 . . . . 0.0 110.78 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.92 -27.88 71.51 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-O 119.362 -0.688 . . . . 0.0 111.931 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.42 76.08 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 117.842 0.821 . . . . 0.0 110.237 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.22 -41.4 81.35 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.033 0.833 . . . . 0.0 109.947 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.74 -49.51 68.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.363 1.077 . . . . 0.0 112.285 -168.532 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.66 -38.01 55.29 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.24 -71.73 1.15 Allowed Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.854 -160.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.58 -49.24 76.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.974 0.91 . . . . 0.0 111.614 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.87 -45.13 83.22 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.164 1.786 . . . . 0.0 109.759 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.67 -35.96 81.77 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.026 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.23 98.88 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.997 1.398 . . . . 0.0 110.629 170.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.91 15.15 1.15 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 171.352 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.49 43.76 1.61 Allowed Glycine 0 CA--C 1.527 0.782 0 C-N-CA 127.813 2.625 . . . . 0.0 112.649 -166.408 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 p -63.73 48.82 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 1 C-N-CA 134.129 4.972 . . . . 0.0 112.945 -172.687 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -74.62 112.4 10.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.641 2.376 . . . . 0.0 107.908 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -43.77 -47.93 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 125.663 1.585 . . . . 0.0 112.367 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.36 146.88 18.4 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.249 -1.141 . . . . 0.0 110.249 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 69.77 0.88 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.606 1.162 . . . . 0.0 111.085 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 -28.12 69.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.657 1.183 . . . . 0.0 112.102 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 p -65.13 -17.98 64.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.293 1.837 . . . . 0.0 114.003 172.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 CA-C-O 116.477 -2.291 . . . . 0.0 109.698 -141.259 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.0 t 68.07 -68.22 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 128.179 2.592 . . . . 0.0 113.521 165.418 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.21 -112.89 0.53 Allowed Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 172.574 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.5 mm -57.95 -34.19 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 123.844 0.858 . . . . 0.0 110.788 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -26.83 73.34 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.0 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.79 74.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 118.201 1.001 . . . . 0.0 110.494 171.109 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.17 -39.65 82.52 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.136 0.88 . . . . 0.0 109.85 171.626 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.15 -49.58 64.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.163 0.982 . . . . 0.0 112.236 -171.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.83 -36.64 64.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.3 -72.83 1.08 Allowed Glycine 0 N--CA 1.462 0.406 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.219 -160.535 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -59.38 -48.97 79.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.447 1.099 . . . . 0.0 111.347 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.97 -47.36 71.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.066 1.747 . . . . 0.0 110.106 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.69 -25.95 74.77 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 119.008 -0.884 . . . . 0.0 113.038 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.28 82.5 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.107 1.454 . . . . 0.0 111.032 169.148 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.9 15.52 1.42 Allowed 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.83 22.3 1.47 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.583 1.087 . . . . 0.0 112.674 -170.066 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 t -86.33 -3.9 59.07 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.345 -0.835 . . . . 0.0 111.743 156.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 19' ' ' VAL . 12.8 t -70.13 -59.17 3.05 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.32 0.964 . . . . 0.0 109.701 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.417 ' H ' HG23 ' A' ' 18' ' ' THR . 18.0 m -44.13 130.64 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.464 0.706 . . . . 0.0 110.342 151.073 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.86 112.9 3.98 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 107.549 -2.221 . . . . 0.0 107.549 163.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.86 -174.36 3.64 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.644 1.578 . . . . 0.0 110.77 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -28.4 69.17 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.331 -0.856 . . . . 0.0 111.881 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -73.13 -12.78 61.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.609 1.163 . . . . 0.0 113.762 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -167.922 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 117.588 -1.196 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.3 t -137.91 -74.51 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 119.001 0.818 . . . . 0.0 111.561 -171.673 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.5 -113.25 0.56 Allowed Glycine 0 C--N 1.34 0.775 0 C-N-CA 125.117 1.342 . . . . 0.0 111.122 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -58.65 -33.31 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.992 0.917 . . . . 0.0 110.35 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.55 79.42 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.783 0.706 . . . . 0.0 111.721 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -32.06 71.61 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 117.881 0.841 . . . . 0.0 111.117 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.17 -41.4 81.55 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.224 0.92 . . . . 0.0 109.437 169.526 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -65.22 -49.45 69.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.341 1.067 . . . . 0.0 112.164 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.5 -40.42 66.88 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.02 -70.92 1.04 Allowed Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.14 -157.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.62 -49.2 78.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.276 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.83 -46.01 76.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 126.211 1.805 . . . . 0.0 109.876 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.64 -32.86 75.1 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-N 119.405 1.002 . . . . 0.0 112.493 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.29 96.64 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.119 1.46 . . . . 0.0 110.763 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.77 15.45 1.39 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.19 28.65 1.16 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.85 1.214 . . . . 0.0 112.212 -170.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 m -66.49 -19.79 65.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.177 1.391 . . . . 0.0 112.866 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.8 p -89.94 -63.64 1.25 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.969 1.708 . . . . 0.0 111.003 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -43.83 151.23 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.765 2.026 . . . . 0.0 113.428 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.6 35.72 0.84 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.761 1.172 . . . . 0.0 112.966 170.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.95 21.36 2.47 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.165 2.186 . . . . 0.0 110.497 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.6 -28.37 69.31 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.24 -0.913 . . . . 0.0 112.507 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -78.92 -9.55 59.54 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.967 1.307 . . . . 0.0 113.078 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.475 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -138.974 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 117.663 -1.161 . . . . 0.0 108.129 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -140.29 -70.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.779 0.718 . . . . 0.0 111.134 -173.342 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.49 -112.12 0.55 Allowed Glycine 0 C--N 1.34 0.754 0 C-N-CA 125.286 1.422 . . . . 0.0 110.855 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.5 mm -58.29 -33.18 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 124.104 0.962 . . . . 0.0 110.553 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.16 -32.64 82.87 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 123.92 0.771 . . . . 0.0 111.686 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.828 0.814 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.77 -39.89 84.07 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.233 0.924 . . . . 0.0 109.048 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.97 -49.46 70.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.315 1.055 . . . . 0.0 112.198 -173.012 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.38 -36.78 71.55 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.27 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.64 -71.78 0.96 Allowed Glycine 0 N--CA 1.463 0.441 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.68 -159.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.49 -49.24 77.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.119 1.368 . . . . 0.0 111.187 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.58 -42.18 82.96 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.193 1.797 . . . . 0.0 109.932 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -35.51 82.09 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 119.224 0.92 . . . . 0.0 112.095 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.99 98.39 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.875 1.338 . . . . 0.0 110.738 170.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.44 15.44 0.99 Allowed 'General case' 0 C--O 1.233 0.229 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 171.122 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.17 29.71 1.14 Allowed Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.251 1.405 . . . . 0.0 112.503 -169.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -75.27 -67.15 0.68 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.663 1.185 . . . . 0.0 111.487 -168.055 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -90.63 -46.89 8.0 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.77 0.828 . . . . 0.0 111.889 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m -43.94 151.71 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.847 1.659 . . . . 0.0 112.733 171.669 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.02 57.94 2.7 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.455 1.026 . . . . 0.0 112.317 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.62 109.6 2.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.121 0.969 . . . . 0.0 109.164 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.11 -27.82 68.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.153 0.981 . . . . 0.0 112.308 -174.37 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 m -67.0 -10.03 45.31 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.453 1.501 . . . . 0.0 114.574 174.112 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 117.079 -1.956 . . . . 0.0 110.922 -179.268 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.46 HG23 ' H ' ' A' ' 2' ' ' VAL . 9.3 t -40.26 -16.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.952 1 C-N-CA 134.799 5.24 . . . . 0.0 117.188 -167.675 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.74 -103.41 0.47 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 165.25 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -56.4 -37.15 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 124.245 1.018 . . . . 0.0 111.134 -174.484 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.05 71.38 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.47 70.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.382 0.591 . . . . 0.0 111.174 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.81 -42.47 81.49 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 119.356 0.98 . . . . 0.0 109.579 168.419 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.45 -49.7 62.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.041 0.448 . . . . 0.0 111.75 -167.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.32 -18.95 37.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.192 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -81.29 1.55 Allowed Glycine 0 C--N 1.339 0.716 0 O-C-N 123.477 0.486 . . . . 0.0 112.086 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.26 -49.02 73.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.503 1.521 . . . . 0.0 111.814 -176.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.15 -47.48 35.64 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 126.309 1.843 . . . . 0.0 110.022 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -25.55 74.72 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.76 -170.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.1 92.84 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.921 1.36 . . . . 0.0 111.153 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.13 14.79 1.73 Allowed 'General case' 0 C--O 1.233 0.187 0 C-N-CA 124.636 1.174 . . . . 0.0 113.995 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.23 33.18 1.11 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.996 1.284 . . . . 0.0 111.664 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 m -63.96 -27.93 69.47 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.587 1.155 . . . . 0.0 112.154 -169.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.2 t -82.3 47.39 1.14 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.684 1.594 . . . . 0.0 110.414 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.2 m -43.86 146.79 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.97 1.308 . . . . 0.0 112.739 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.87 -57.16 1.85 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 124.444 1.021 . . . . 0.0 110.793 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.55 -170.68 3.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.968 1.707 . . . . 0.0 109.544 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -28.33 69.1 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.557 -0.714 . . . . 0.0 111.403 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -65.29 -15.46 62.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.775 1.63 . . . . 0.0 113.933 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.85 0 CA-C-O 117.586 -1.675 . . . . 0.0 108.966 -164.128 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.92 -18.5 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.445 1.098 . . . . 0.0 112.062 -168.408 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -108.29 0.51 Allowed Glycine 0 CA--C 1.524 0.602 0 C-N-CA 125.68 1.61 . . . . 0.0 110.74 174.011 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.73 -33.91 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 124.086 0.955 . . . . 0.0 110.64 -176.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.0 -33.01 82.48 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -30.59 69.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.382 0.673 . . . . 0.0 111.032 175.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.01 -41.71 81.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 109.295 167.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.7 -49.49 65.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.257 0.551 . . . . 0.0 111.918 -170.171 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.53 -23.45 42.86 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.882 175.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.13 -79.14 1.37 Allowed Glycine 0 C--N 1.337 0.632 0 O-C-N 123.612 0.57 . . . . 0.0 112.671 -167.613 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -56.78 -49.04 76.5 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.674 1.59 . . . . 0.0 111.809 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.63 -42.84 73.77 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.11 1.764 . . . . 0.0 109.965 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.3 -28.48 73.27 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 118.82 0.736 . . . . 0.0 112.043 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -26.91 68.55 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.835 1.317 . . . . 0.0 112.103 169.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.83 15.56 1.38 Allowed 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 169.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.82 57.13 2.63 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 127.766 2.603 . . . . 0.0 110.888 -167.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -85.67 -100.5 0.06 Allowed 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 129.656 3.182 . . . . 0.0 110.272 -172.62 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -90.53 -18.13 25.81 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.468 -0.777 . . . . 0.0 113.078 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -44.28 154.96 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.697 1.199 . . . . 0.0 112.641 167.346 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.9 70.57 1.75 Allowed Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 168.524 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.99 124.72 20.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.298 1.039 . . . . 0.0 109.841 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.68 -28.38 69.36 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.602 0.761 . . . . 0.0 112.898 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 p -71.64 -15.89 62.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.029 1.732 . . . . 0.0 113.664 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.612 0 CA-C-O 117.856 -1.525 . . . . 0.0 109.919 -140.0 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 117.626 -1.178 . . . . 0.0 108.218 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 t -137.81 -75.24 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.885 0.766 . . . . 0.0 111.403 -170.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.41 -113.27 0.55 Allowed Glycine 0 C--N 1.339 0.722 0 C-N-CA 125.303 1.43 . . . . 0.0 111.053 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.67 -33.9 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.228 1.011 . . . . 0.0 110.405 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.68 -31.75 79.37 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.644 0.64 . . . . 0.0 111.709 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.0 73.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.82 0.81 . . . . 0.0 110.737 173.572 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -67.98 -40.45 83.13 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.003 0.819 . . . . 0.0 109.32 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.1 -49.47 67.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.254 1.026 . . . . 0.0 112.092 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.33 -36.1 68.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.93 -73.14 1.05 Allowed Glycine 0 N--CA 1.462 0.422 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.45 -160.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.07 -49.02 79.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.084 1.354 . . . . 0.0 111.368 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -67.55 -43.26 81.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.376 1.87 . . . . 0.0 110.175 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.48 -31.81 74.4 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 119.255 0.934 . . . . 0.0 112.194 -177.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -32.51 73.96 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.829 1.314 . . . . 0.0 111.589 169.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.66 15.72 1.28 Allowed 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.676 1.19 . . . . 0.0 114.161 169.433 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.02 57.48 2.71 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.894 1.235 . . . . 0.0 110.668 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 t -63.75 164.39 10.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.646 1.178 . . . . 0.0 110.453 174.069 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 t -67.94 150.15 48.87 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 153.383 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.0 m -44.1 141.29 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 119.196 -0.43 . . . . 0.0 109.974 145.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.03 104.76 1.86 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 173.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.21 -178.62 6.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.867 0.867 . . . . 0.0 109.63 171.251 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.46 -28.49 69.32 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.388 -0.82 . . . . 0.0 111.731 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 m -75.13 -12.27 60.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.672 1.189 . . . . 0.0 113.613 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 116.48 -2.289 . . . . 0.0 110.305 -166.18 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.71 -48.82 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -162.555 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.37 -115.65 0.58 Allowed Glycine 0 C--N 1.341 0.854 0 CA-C-O 122.523 1.068 . . . . 0.0 110.595 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.3 mm -60.46 -31.86 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.37 -28.64 72.33 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.085 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.88 73.27 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 118.548 1.174 . . . . 0.0 110.478 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.15 -39.83 82.55 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.895 0.77 . . . . 0.0 109.257 170.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.58 -49.65 62.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.135 -0.353 . . . . 0.0 111.574 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.16 -20.77 44.08 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.145 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -80.38 1.47 Allowed Glycine 0 N--CA 1.465 0.583 0 O-C-N 123.471 0.482 . . . . 0.0 112.696 -169.859 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.82 -48.85 74.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.323 1.849 . . . . 0.0 111.559 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -73.36 -45.67 53.62 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.113 1.765 . . . . 0.0 110.254 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.48 -23.26 75.21 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-N 119.168 0.895 . . . . 0.0 113.133 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.87 96.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.961 1.381 . . . . 0.0 110.54 167.325 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 15.54 1.52 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.374 1.469 . . . . 0.0 114.537 168.154 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.85 18.02 2.57 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 119.387 0.994 . . . . 0.0 113.126 -159.312 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.1 m -86.34 -13.07 47.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.041 1.336 . . . . 0.0 112.996 161.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 19' ' ' VAL . 11.5 t -74.21 -70.17 0.41 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.469 1.031 . . . . 0.0 109.512 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.597 ' H ' HG23 ' A' ' 18' ' ' THR . 23.7 m -44.15 153.86 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 O-C-N 121.388 -0.82 . . . . 0.0 110.891 147.716 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.49 64.99 3.94 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 48.87 28.44 1.94 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.021 1.728 . . . . 0.0 114.098 -175.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.8 -28.48 69.49 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.059 -1.026 . . . . 0.0 112.146 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 p -72.95 -15.08 61.57 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 128.108 2.563 . . . . 0.0 114.139 171.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.659 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -138.591 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 117.05 -1.452 . . . . 0.0 108.655 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.7 t -118.55 -47.3 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.807 1.185 . . . . 0.0 112.784 -165.11 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.32 -115.9 0.58 Allowed Glycine 0 C--N 1.343 0.93 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.75 -34.24 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.85 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.65 -14.53 75.21 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.758 1.647 . . . . 0.0 113.893 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.2 60.01 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 120.004 1.902 . . . . 0.0 109.178 159.351 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.53 -35.98 81.13 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.584 0.754 . . . . 0.0 110.289 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.99 -49.47 72.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.241 1.016 . . . . 0.0 112.257 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -21.31 31.68 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.248 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.51 -77.11 1.23 Allowed Glycine 0 C--O 1.224 -0.521 0 O-C-N 123.525 0.516 . . . . 0.0 111.931 -163.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.97 -49.28 73.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.943 1.297 . . . . 0.0 111.176 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.57 -44.56 86.37 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.723 1.609 . . . . 0.0 109.806 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.47 -36.73 84.47 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.919 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.33 87.87 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.861 1.33 . . . . 0.0 110.959 170.431 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.1 15.38 1.16 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 170.829 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.36 42.83 1.48 Allowed Glycine 0 CA--C 1.53 0.975 0 C-N-CA 125.371 1.462 . . . . 0.0 111.277 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -69.8 64.22 0.21 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.633 2.373 . . . . 0.0 112.042 -174.654 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -69.06 169.38 11.96 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.474 1.109 . . . . 0.0 111.404 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.2 m -43.8 129.09 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.83 1.652 . . . . 0.0 112.837 173.032 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.34 144.82 17.44 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 106.568 -2.613 . . . . 0.0 106.568 143.239 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.5 -15.89 42.28 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.573 1.187 . . . . 0.0 114.177 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.95 -29.02 66.05 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.34 0.656 . . . . 0.0 112.092 171.202 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.8 m -79.07 -42.24 26.85 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.538 1.135 . . . . 0.0 111.441 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 CA-C-O 116.754 -2.137 . . . . 0.0 108.654 -173.356 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.488 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.5 t -142.52 -76.6 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 123.678 0.611 . . . . 0.0 110.186 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.66 -110.33 0.55 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 126.941 2.21 . . . . 0.0 111.417 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mm -54.42 -35.58 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.364 1.466 . . . . 0.0 111.091 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.8 -30.57 70.37 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.26 79.55 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 117.463 0.632 . . . . 0.0 110.666 171.324 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.78 -41.42 97.95 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.092 0.86 . . . . 0.0 109.776 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.1 -49.57 75.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.921 0.488 . . . . 0.0 111.424 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -81.05 -24.1 38.09 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.468 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.79 1.27 Allowed Glycine 0 C--O 1.225 -0.465 0 C-N-CA 123.822 0.725 . . . . 0.0 112.192 -166.034 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.62 -49.27 78.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.242 1.417 . . . . 0.0 111.511 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.91 -42.79 80.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.711 1.604 . . . . 0.0 109.807 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.33 -31.99 75.12 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.209 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.58 86.9 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.903 1.351 . . . . 0.0 111.059 169.64 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 15.7 1.25 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.687 1.195 . . . . 0.0 113.966 169.298 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.24 50.95 2.44 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 125.28 1.419 . . . . 0.0 110.944 -176.44 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.7 m -67.49 60.59 0.06 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.818 2.447 . . . . 0.0 112.273 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -68.43 86.52 0.29 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.06 1.344 . . . . 0.0 110.061 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.4 m -43.89 156.02 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.064 1.746 . . . . 0.0 112.71 167.484 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.58 -178.44 52.1 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 164.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 95.74 94.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 129.927 3.291 . . . . 0.0 108.872 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -28.84 69.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -169.172 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 t -78.88 -9.72 59.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.942 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.475 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -140.573 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t 64.9 -63.96 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 128.418 2.687 . . . . 0.0 114.822 166.389 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.16 -111.48 0.51 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 172.566 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.21 -34.15 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.17 -29.17 70.64 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.417 -0.657 . . . . 0.0 111.977 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.78 74.76 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.951 0.875 . . . . 0.0 110.523 172.08 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.51 -40.06 85.13 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 119.166 0.894 . . . . 0.0 109.434 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.53 -49.45 68.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.301 1.048 . . . . 0.0 112.197 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -71.64 -36.95 70.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.57 -70.91 0.96 Allowed Glycine 0 N--CA 1.463 0.435 0 CA-C-N 115.322 -0.853 . . . . 0.0 112.831 -159.159 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.45 -49.25 76.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 111.169 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.41 -41.32 85.08 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 126.266 1.827 . . . . 0.0 110.008 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.54 -36.55 83.73 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-N 119.067 0.848 . . . . 0.0 112.077 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.96 97.52 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.89 1.345 . . . . 0.0 110.624 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.53 15.7 0.33 Allowed 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 169.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.16 43.05 1.44 Allowed Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.414 1.483 . . . . 0.0 111.699 -176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -67.38 80.18 0.16 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.139 1.776 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -68.01 159.15 31.31 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.317 1.047 . . . . 0.0 110.234 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 m -43.72 -42.02 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 126.288 1.835 . . . . 0.0 113.719 161.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.11 -169.34 45.83 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.196 1.379 . . . . 0.0 113.17 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.45 174.03 11.29 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 161.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -28.45 69.23 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.534 -0.729 . . . . 0.0 111.346 172.332 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 t -78.82 -10.26 59.73 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 117.047 -1.454 . . . . 0.0 114.172 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.747 -2.14 . . . . 0.0 110.938 -170.682 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 117.441 -1.266 . . . . 0.0 108.704 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 t -118.08 -43.38 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 119.501 1.046 . . . . 0.0 112.715 -164.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.42 -115.67 0.59 Allowed Glycine 0 C--N 1.341 0.846 0 CA-C-O 122.521 1.067 . . . . 0.0 110.467 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.97 -34.79 64.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.821 0.82 . . . . 0.0 109.958 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.58 -14.04 74.79 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 118.163 -1.354 . . . . 0.0 114.035 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.47 74.62 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 120.15 1.975 . . . . 0.0 110.033 160.489 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.74 -36.89 85.35 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.2 0.6 . . . . 0.0 109.483 -177.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -58.67 -49.7 76.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.597 0.759 . . . . 0.0 111.86 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.17 -24.48 30.15 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.913 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.88 -78.12 1.3 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 124.102 0.858 . . . . 0.0 111.633 -166.637 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.87 -49.12 78.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.28 1.432 . . . . 0.0 111.341 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.57 -44.78 77.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.531 1.532 . . . . 0.0 110.011 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.42 -30.82 73.4 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.112 -175.069 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.74 82.21 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.8 1.3 . . . . 0.0 111.485 170.007 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 15.68 1.35 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 113.977 170.293 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.25 51.22 2.47 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.898 1.237 . . . . 0.0 111.035 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.8 m -63.98 92.03 0.07 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.468 1.507 . . . . 0.0 111.216 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.94 138.27 55.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.216 1.407 . . . . 0.0 108.66 173.454 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.0 t -43.78 -44.18 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.037 1.335 . . . . 0.0 111.187 168.097 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.82 101.74 1.58 Allowed Glycine 0 C--N 1.338 0.651 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 167.176 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.0 80.57 0.21 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.513 2.325 . . . . 0.0 113.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.61 -28.5 69.41 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.275 1.03 . . . . 0.0 113.157 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.3 m -78.24 -10.71 59.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.171 1.388 . . . . 0.0 113.279 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.386 0 CA-C-O 118.298 -1.279 . . . . 0.0 110.079 -149.338 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 117.079 -1.438 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.1 t -118.89 -47.86 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 119.88 1.218 . . . . 0.0 113.12 -161.287 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.27 -115.4 0.56 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 175.629 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.47 -34.53 58.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 123.973 0.909 . . . . 0.0 109.895 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.56 -15.58 75.46 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.748 1.642 . . . . 0.0 114.024 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -45.95 69.0 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.961 1.88 . . . . 0.0 109.838 160.247 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.9 -35.24 77.78 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.529 0.732 . . . . 0.0 109.647 -177.061 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.9 -49.75 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.494 0.718 . . . . 0.0 111.783 -178.642 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pp -84.06 -23.77 30.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.561 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.61 -74.26 1.06 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 124.289 0.947 . . . . 0.0 111.872 -166.193 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.68 -49.38 66.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.796 1.238 . . . . 0.0 111.154 -174.703 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.57 -42.69 86.64 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.935 1.694 . . . . 0.0 109.559 174.698 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.38 -38.07 86.69 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.665 -177.623 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.73 99.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.953 1.377 . . . . 0.0 110.904 171.644 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.59 15.48 1.31 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 170.619 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.18 24.78 1.32 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.523 1.059 . . . . 0.0 111.948 -169.6 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -64.04 -23.41 67.32 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.443 1.097 . . . . 0.0 113.39 -164.501 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -90.65 -44.95 9.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.759 0.824 . . . . 0.0 112.2 168.47 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 t -44.06 -55.82 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.965 2.106 . . . . 0.0 112.711 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.16 -175.1 37.7 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 125.761 1.648 . . . . 0.0 113.575 -168.552 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.07 -86.59 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.906 1.683 . . . . 0.0 109.157 172.748 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -32.03 68.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -166.268 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -79.04 -9.52 59.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.243 1.017 . . . . 0.0 112.532 173.572 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 -138.471 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t 68.74 -72.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 128.389 2.676 . . . . 0.0 112.822 165.037 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.1 -113.04 0.52 Allowed Glycine 0 C--N 1.335 0.486 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 172.298 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.6 mm -56.33 -35.52 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.47 1.108 . . . . 0.0 110.87 -175.745 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.89 -28.49 70.55 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.252 -0.749 . . . . 0.0 111.567 -177.578 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.33 74.0 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 118.149 0.974 . . . . 0.0 110.727 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.86 -42.2 81.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.972 0.805 . . . . 0.0 109.544 172.022 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -66.48 -49.64 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -172.79 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -81.62 -24.0 36.66 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.91 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -76.64 1.18 Allowed Glycine 0 C--N 1.336 0.576 0 O-C-N 123.688 0.617 . . . . 0.0 111.804 -167.997 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.03 -49.16 78.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.205 1.002 . . . . 0.0 111.608 -175.11 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.54 -44.97 77.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.053 1.741 . . . . 0.0 109.855 174.531 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.51 75.99 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.222 -175.647 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.76 88.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.772 1.286 . . . . 0.0 110.968 170.455 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.31 15.22 1.27 Allowed 'General case' 0 C--N 1.34 0.189 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.473 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.18 42.85 1.43 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.395 1.474 . . . . 0.0 111.328 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.2 m -71.64 54.58 0.24 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.706 1.602 . . . . 0.0 111.371 175.056 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 t -75.01 127.73 33.92 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.674 1.19 . . . . 0.0 110.971 -177.986 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -44.07 -61.59 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.175 0.99 . . . . 0.0 113.399 152.845 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.72 165.48 24.59 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 125.3 1.429 . . . . 0.0 113.564 -169.842 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.65 23.92 6.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.634 1.574 . . . . 0.0 114.821 171.273 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -28.52 69.85 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.002 -1.061 . . . . 0.0 112.72 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -79.21 -9.52 59.59 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.32 1.448 . . . . 0.0 113.225 172.412 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.548 0 N-CA-C 107.664 -2.175 . . . . 0.0 107.664 -138.72 . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 117.2 -1.381 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -117.38 -57.9 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -163.182 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.39 -113.67 0.55 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 175.171 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.25 -37.06 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.058 0.943 . . . . 0.0 109.938 -178.604 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.67 -15.77 75.77 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.008 1.29 . . . . 0.0 113.828 177.61 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.71 74.25 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.099 1.949 . . . . 0.0 109.788 161.677 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.11 -35.88 81.75 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.451 0.7 . . . . 0.0 109.742 -177.618 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -59.55 -49.8 76.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.871 0.468 . . . . 0.0 111.636 -177.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.03 -20.83 32.06 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.467 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.05 1.22 Allowed Glycine 0 C--O 1.226 -0.397 0 C-N-CA 124.486 1.041 . . . . 0.0 111.782 -167.807 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -64.6 -49.24 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.69 1.596 . . . . 0.0 111.059 -174.823 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.11 -44.09 73.14 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.85 1.66 . . . . 0.0 109.717 174.524 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -35.94 82.54 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.191 -0.783 . . . . 0.0 111.89 -175.047 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.68 94.71 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.816 1.308 . . . . 0.0 110.916 170.67 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.46 14.92 1.41 Allowed 'General case' 0 C--N 1.341 0.216 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 172.161 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.97 24.83 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.207 1.384 . . . . 0.0 111.933 -177.934 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 m -73.26 -47.91 39.13 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.925 1.29 . . . . 0.0 109.949 176.566 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.9 p -90.56 -79.26 0.36 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.703 1.201 . . . . 0.0 109.546 174.819 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.9 m -43.93 117.75 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 126.752 2.021 . . . . 0.0 112.478 173.39 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.65 88.14 0.74 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 176.072 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.72 60.87 0.1 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.389 1.876 . . . . 0.0 112.703 -178.017 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.25 -28.0 68.86 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.287 1.835 . . . . 0.0 113.267 -170.293 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 t -55.25 -46.29 76.07 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.72 1.208 . . . . 0.0 111.714 175.203 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.63 0 CA-C-O 118.284 -1.287 . . . . 0.0 111.257 -147.004 . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.5 t 66.87 -71.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 128.302 2.641 . . . . 0.0 113.23 165.642 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.19 -112.54 0.52 Allowed Glycine 0 C--N 1.336 0.531 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 172.058 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -55.41 -35.86 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.815 1.246 . . . . 0.0 110.868 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -29.74 69.02 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.336 -0.702 . . . . 0.0 111.683 -177.912 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.84 74.86 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 117.987 0.893 . . . . 0.0 110.803 172.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.34 -42.06 84.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 118.876 0.762 . . . . 0.0 109.357 172.408 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -66.35 -49.76 65.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.346 -173.412 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.49 -23.72 42.79 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.17 -79.75 1.42 Allowed Glycine 0 C--N 1.335 0.481 0 O-C-N 123.64 0.587 . . . . 0.0 111.997 -168.502 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -56.59 -49.12 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 111.623 -175.623 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -70.8 -47.07 61.42 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.183 1.793 . . . . 0.0 110.044 173.411 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.62 -29.47 72.83 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.266 -0.741 . . . . 0.0 112.725 -171.166 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.67 91.13 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.792 1.296 . . . . 0.0 110.953 169.524 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.82 15.43 1.41 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.629 1.172 . . . . 0.0 113.774 170.488 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.06 28.24 1.14 Allowed Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.054 1.311 . . . . 0.0 111.779 -177.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -64.5 -19.96 65.91 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.532 1.533 . . . . 0.0 112.0 178.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -78.62 51.02 1.02 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.921 1.288 . . . . 0.0 109.277 172.183 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -43.95 -52.93 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 126.365 1.866 . . . . 0.0 112.841 172.092 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.15 164.32 24.69 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.903 1.24 . . . . 0.0 110.362 173.583 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.94 13.78 3.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.721 1.608 . . . . 0.0 113.992 -174.708 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.75 73.04 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.075 -1.016 . . . . 0.0 112.355 -178.719 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -78.95 -9.8 59.62 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.915 1.686 . . . . 0.0 113.445 173.339 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 N-CA-C 107.472 -2.251 . . . . 0.0 107.472 -138.886 . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 116.877 -1.535 . . . . 0.0 108.499 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 m -118.69 -60.0 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 120.003 1.274 . . . . 0.0 114.38 -162.976 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.38 -114.71 0.56 Allowed Glycine 0 C--N 1.337 0.613 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 175.208 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mm -59.59 -36.44 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.669 0.787 . . . . 0.0 110.009 -177.838 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -15.69 75.59 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 125.417 1.485 . . . . 0.0 113.734 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.51 57.69 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.744 1.772 . . . . 0.0 109.196 160.117 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.03 -35.38 78.42 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.63 0.772 . . . . 0.0 110.516 -174.559 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.54 -49.59 70.65 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.669 1.188 . . . . 0.0 112.222 -169.65 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.52 -20.68 31.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.91 173.14 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.49 -76.73 1.21 Allowed Glycine 0 C--O 1.224 -0.508 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 -163.737 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.02 -49.27 75.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.824 1.249 . . . . 0.0 110.949 -177.7 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.13 -45.65 84.16 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.177 1.391 . . . . 0.0 109.863 176.158 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.43 -36.09 83.27 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.23 -177.722 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.86 98.63 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.012 1.406 . . . . 0.0 110.767 170.731 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.36 15.64 0.57 Allowed 'General case' 0 C--N 1.339 0.152 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 170.171 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.19 41.36 1.31 Allowed Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.738 1.637 . . . . 0.0 112.426 -170.269 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -63.86 132.32 50.48 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 161.811 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -68.22 -9.89 50.48 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -163.05 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -43.9 -49.53 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.572 1.149 . . . . 0.0 110.44 157.014 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.66 42.77 1.8 Allowed Glycine 0 CA--C 1.532 1.099 0 C-N-CA 126.051 1.786 . . . . 0.0 112.568 177.308 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.32 -48.09 0.08 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.629 2.372 . . . . 0.0 106.999 166.599 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -35.82 79.65 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.951 0.9 . . . . 0.0 112.294 177.307 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.3 t -78.32 -9.67 59.34 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.125 1.37 . . . . 0.0 112.865 174.185 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.394 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 -144.485 . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 117.078 -1.439 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.5 t -117.8 -48.61 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.792 1.178 . . . . 0.0 112.902 -163.34 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.33 -115.66 0.58 Allowed Glycine 0 C--N 1.341 0.856 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 175.457 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -61.16 -34.59 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.925 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.53 -15.3 75.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.836 1.684 . . . . 0.0 113.704 176.991 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.0 64.1 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.817 1.809 . . . . 0.0 109.522 160.212 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.66 -35.26 79.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.848 0.859 . . . . 0.0 110.003 -176.365 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -62.43 -49.32 75.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.656 1.182 . . . . 0.0 111.88 -173.583 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -83.88 -20.9 32.26 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.495 175.742 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.81 -78.54 1.33 Allowed Glycine 0 C--N 1.335 0.482 0 O-C-N 123.623 0.577 . . . . 0.0 112.112 -165.02 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.24 -49.08 78.57 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.821 1.649 . . . . 0.0 111.281 -177.764 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -66.73 -43.73 83.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.424 1.489 . . . . 0.0 109.873 175.529 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.19 75.51 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 119.49 -0.617 . . . . 0.0 112.045 -178.474 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.53 -31.1 72.17 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.843 1.322 . . . . 0.0 111.669 170.114 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.71 15.59 1.33 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.39 1.076 . . . . 0.0 113.825 170.061 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.99 46.44 1.79 Allowed Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.578 1.561 . . . . 0.0 111.599 -177.616 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 t -70.14 -54.29 13.58 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.445 1.098 . . . . 0.0 109.151 168.801 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.4 m -90.02 -79.55 0.34 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.571 0.748 . . . . 0.0 109.633 -179.337 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 m -44.03 134.98 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.079 1.351 . . . . 0.0 112.386 168.13 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.3 169.74 28.03 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 154.766 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.91 -173.54 3.34 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.048 1.739 . . . . 0.0 109.968 177.018 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -28.31 69.12 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.059 -1.026 . . . . 0.0 112.533 -178.616 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.3 t -76.93 -9.87 58.98 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 117.74 -1.124 . . . . 0.0 113.316 175.524 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 N-CA-C 107.603 -2.199 . . . . 0.0 107.603 -159.074 . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t 67.05 -73.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 128.477 2.711 . . . . 0.0 112.804 166.566 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.19 -112.62 0.52 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 172.103 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.9 mm -55.75 -35.89 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.757 1.223 . . . . 0.0 110.921 -174.624 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.95 68.84 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -177.219 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.42 75.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.83 0.815 . . . . 0.0 110.616 173.416 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.32 -42.73 83.13 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 118.898 0.772 . . . . 0.0 109.338 172.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -65.43 -49.59 68.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.643 -172.484 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.91 -23.87 38.63 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.163 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.09 -78.42 1.31 Allowed Glycine 0 C--N 1.336 0.56 0 O-C-N 123.615 0.572 . . . . 0.0 111.752 -167.515 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -58.39 -49.33 77.63 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.784 1.234 . . . . 0.0 111.633 -175.95 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.55 -44.63 74.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.175 1.79 . . . . 0.0 110.08 175.489 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -36.44 84.12 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-O 119.509 -0.606 . . . . 0.0 111.911 -175.491 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -35.96 82.0 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.491 1.145 . . . . 0.0 111.125 170.935 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.34 15.64 1.19 Allowed 'General case' 0 C--O 1.233 0.203 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 171.238 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.07 49.04 2.14 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.319 1.437 . . . . 0.0 111.636 -174.306 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.5 m -64.07 149.94 46.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.455 0.702 . . . . 0.0 109.668 169.649 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.04 -2.1 14.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.678 1.591 . . . . 0.0 113.97 -170.28 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.9 m -43.99 158.7 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 126.171 1.789 . . . . 0.0 113.717 168.83 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.31 -110.54 0.93 Allowed Glycine 0 CA--C 1.528 0.873 0 N-CA-C 107.336 -2.306 . . . . 0.0 107.336 155.234 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.58 -13.25 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 165.085 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.75 -28.75 69.66 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 120.68 1.582 . . . . 0.0 112.043 178.397 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 p -74.42 -10.42 59.55 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.602 2.361 . . . . 0.0 114.007 172.139 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.643 0 N-CA-C 106.837 -2.505 . . . . 0.0 106.837 -138.488 . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' H ' HG23 ' A' ' 2' ' ' VAL . 12.6 t -51.17 -13.9 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.919 1 C-N-CA 132.439 4.296 . . . . 0.0 115.407 -168.51 . . . . . . . . 3 3 . 1 . 028 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.75 -103.78 0.47 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 125.313 1.435 . . . . 0.0 109.935 165.532 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.1 mm -56.17 -36.84 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.183 0.993 . . . . 0.0 111.511 -174.154 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.03 69.59 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.52 72.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.588 0.694 . . . . 0.0 111.32 173.841 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.58 -42.13 83.02 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.272 0.942 . . . . 0.0 109.682 169.983 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -67.18 -49.73 63.56 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.293 -172.978 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.63 -23.28 45.95 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.743 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.15 -79.01 1.35 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.209 -169.314 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.25 -48.9 77.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.533 1.533 . . . . 0.0 111.524 -175.855 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.03 -43.88 64.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.275 1.83 . . . . 0.0 110.313 173.657 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.35 -26.26 74.33 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 118.996 0.817 . . . . 0.0 112.422 -174.435 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.11 -34.13 74.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.712 1.256 . . . . 0.0 111.69 168.538 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.02 15.37 1.5 Allowed 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.455 1.102 . . . . 0.0 113.839 169.478 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 33.5 1.06 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.795 1.664 . . . . 0.0 112.213 -175.915 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -85.56 -24.58 27.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.574 1.15 . . . . 0.0 111.399 164.889 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 m -90.47 -91.0 0.15 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.763 0.71 . . . . 0.0 109.087 175.927 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.0 m -44.07 135.32 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 118.779 0.718 . . . . 0.0 110.036 157.723 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.23 40.53 1.49 Allowed Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.805 0.717 . . . . 0.0 113.599 -177.079 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.32 45.2 0.22 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.982 2.113 . . . . 0.0 112.196 -175.8 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -28.61 69.76 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.32 1.048 . . . . 0.0 112.42 -177.881 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -79.03 -9.65 59.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.499 1.119 . . . . 0.0 112.731 172.099 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.48 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 -139.278 . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 t -140.54 -72.61 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 118.764 0.711 . . . . 0.0 110.924 -173.073 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -112.36 0.53 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 125.343 1.449 . . . . 0.0 110.722 176.564 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.86 -34.04 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.229 1.012 . . . . 0.0 110.397 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.13 73.1 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 123.572 0.606 . . . . 0.0 111.974 179.892 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.61 74.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.018 0.909 . . . . 0.0 111.169 171.11 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -67.92 -39.39 83.54 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.964 0.802 . . . . 0.0 109.151 172.383 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.42 -50.13 66.61 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.126 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.25 -37.22 83.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.989 0.899 . . . . 0.0 108.96 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -70.4 0.88 Allowed Glycine 0 CA--C 1.519 0.32 0 CA-C-N 114.175 -1.375 . . . . 0.0 112.072 -162.392 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.55 -49.19 74.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.024 1.33 . . . . 0.0 111.175 -176.001 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tp -69.42 -43.85 72.56 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 126.032 1.733 . . . . 0.0 109.69 173.319 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.49 -31.66 74.15 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 119.785 1.175 . . . . 0.0 111.979 -175.333 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.13 98.9 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.861 1.331 . . . . 0.0 110.687 169.598 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.73 15.15 1.45 Allowed 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 170.114 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.32 28.57 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 C-N-CA 125.802 1.667 . . . . 0.0 111.703 -175.132 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -82.47 -59.26 2.59 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.259 1.424 . . . . 0.0 111.021 -162.539 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -90.51 -43.77 10.02 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.33 0.652 . . . . 0.0 112.189 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.0 m -44.02 143.77 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.494 1.118 . . . . 0.0 111.791 168.581 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.98 25.21 1.22 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-O 119.063 -0.854 . . . . 0.0 114.026 177.845 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.89 82.38 1.62 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.097 1.359 . . . . 0.0 109.481 -173.598 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.06 -28.69 68.41 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 176.431 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.4 t -77.94 -10.25 59.49 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 117.513 -1.232 . . . . 0.0 114.131 -171.816 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.182 -1.899 . . . . 0.0 111.292 -173.326 . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 . . . . . . . . . 0 0 . 1 . 030 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.9 t -75.26 -20.45 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.002 1.321 . . . . 0.0 111.956 -168.278 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.38 -106.11 0.52 Allowed Glycine 0 C--N 1.335 0.476 0 C-N-CA 125.537 1.542 . . . . 0.0 110.687 173.673 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.82 -36.42 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 125.148 1.379 . . . . 0.0 110.374 -174.502 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.17 -34.82 81.86 Favored Glycine 0 C--N 1.341 0.841 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -177.691 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.99 73.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.308 0.643 . . . . 0.0 111.013 176.879 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.92 -44.83 75.95 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 109.783 170.357 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -65.82 -49.69 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.243 -169.423 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.83 -20.62 32.88 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.661 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.02 -82.78 1.68 Allowed Glycine 0 C--N 1.336 0.571 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -171.211 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -51.64 -48.51 63.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.091 1.356 . . . . 0.0 111.897 -176.348 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.74 -52.55 8.22 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.412 1.485 . . . . 0.0 110.213 171.509 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.25 -28.99 72.14 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 118.74 -1.033 . . . . 0.0 114.096 -163.705 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.19 -21.7 49.7 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.595 1.197 . . . . 0.0 112.16 172.622 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 15.59 1.38 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.988 0.915 . . . . 0.0 112.35 164.471 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.15 46.7 1.87 Allowed Glycine 0 CA--C 1.525 0.679 0 C-N-CA 125.499 1.523 . . . . 0.0 111.398 -173.697 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.9 m -63.87 -28.01 69.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.642 0.777 . . . . 0.0 110.416 172.653 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.1 m -75.3 86.83 2.5 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 154.454 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.6 t -43.84 -19.96 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 129.147 2.979 . . . . 0.0 115.759 -172.086 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.3 56.44 1.95 Allowed Glycine 0 CA--C 1.533 1.211 0 CA-C-N 119.968 1.258 . . . . 0.0 111.427 171.064 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.22 -175.2 5.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.091 2.556 . . . . 0.0 108.194 -175.475 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.21 -27.72 68.63 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.477 0.711 . . . . 0.0 112.84 -174.738 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -62.49 -10.16 10.88 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 172.266 . . . . . . . . 1 1 . 1 . 030 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.356 -1.802 . . . . 0.0 110.718 179.014 . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 116.727 -1.606 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 031 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 t -120.9 -51.0 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 120.31 1.414 . . . . 0.0 113.563 -160.048 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.3 -115.82 0.57 Allowed Glycine 0 C--N 1.341 0.827 0 CA-C-N 119.811 1.187 . . . . 0.0 110.408 176.285 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.84 -31.63 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.73 0.776 . . . . 0.0 109.568 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.4 -15.8 75.24 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.729 1.633 . . . . 0.0 113.287 176.623 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.83 72.53 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.585 1.693 . . . . 0.0 109.595 161.885 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.15 -39.87 90.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -175.942 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -57.91 -49.55 76.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.812 0.815 . . . . 0.0 112.397 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.88 -36.85 49.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.876 -177.195 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.9 -71.8 0.96 Allowed Glycine 0 C--O 1.226 -0.356 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.827 -161.432 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -60.52 -49.02 79.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.441 1.097 . . . . 0.0 111.035 -176.418 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.84 -47.12 72.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.808 1.643 . . . . 0.0 110.048 172.752 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.62 -27.5 73.78 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-N 119.083 0.856 . . . . 0.0 112.501 -173.319 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.79 91.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.123 1.461 . . . . 0.0 110.927 169.157 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.97 13.95 2.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 169.299 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.92 38.25 1.3 Allowed Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.09 1.329 . . . . 0.0 110.434 168.83 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 p -86.1 37.99 0.74 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.082 2.153 . . . . 0.0 112.859 -173.369 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -68.26 168.44 12.36 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.739 0.815 . . . . 0.0 110.905 171.729 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -43.74 -51.58 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.553 1.541 . . . . 0.0 113.85 178.929 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.04 131.96 10.92 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 105.837 -2.905 . . . . 0.0 105.837 152.771 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.48 -166.94 1.18 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.955 1.302 . . . . 0.0 110.803 -162.475 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -28.06 68.81 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.877 0.871 . . . . 0.0 112.196 179.005 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -78.51 -9.81 59.47 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 117.365 -1.302 . . . . 0.0 113.655 173.076 . . . . . . . . 1 1 . 1 . 031 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.365 0 CA-C-O 117.633 -1.648 . . . . 0.0 109.097 -161.675 . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 116.625 -1.655 . . . . 0.0 108.805 . . . . . . . . . 0 0 . 1 . 032 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.4 t -119.52 -56.18 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 120.37 1.441 . . . . 0.0 113.302 -160.845 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.45 -115.4 0.58 Allowed Glycine 0 C--N 1.341 0.821 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 176.522 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.26 -32.91 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 123.85 0.86 . . . . 0.0 109.679 178.878 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.46 -17.01 75.94 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.613 1.578 . . . . 0.0 113.512 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.17 72.23 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.724 1.762 . . . . 0.0 109.346 162.278 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.25 -38.87 92.85 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 123.326 0.65 . . . . 0.0 109.353 -177.925 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -58.34 -49.77 76.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 122.015 0.912 . . . . 0.0 111.866 178.845 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.44 -36.55 63.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.032 -176.041 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -69.04 0.84 Allowed Glycine 0 CA--C 1.523 0.544 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.793 -163.657 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -66.75 -49.23 66.64 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 110.991 -174.467 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.63 -40.96 93.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.815 1.646 . . . . 0.0 109.56 170.192 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.43 -30.18 73.22 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 119.135 0.879 . . . . 0.0 112.417 -176.243 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.87 95.77 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.156 1.478 . . . . 0.0 110.802 167.414 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.45 13.24 2.05 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 170.973 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.73 7.45 26.75 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 126.084 1.802 . . . . 0.0 110.708 156.977 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -64.8 -31.42 72.64 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.413 1.085 . . . . 0.0 110.856 165.156 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -90.71 157.64 17.33 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.497 1.044 . . . . 0.0 109.234 156.971 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -44.0 119.14 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.394 1.078 . . . . 0.0 112.14 167.713 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.06 167.47 26.59 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 167.633 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.63 -176.67 5.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.996 1.318 . . . . 0.0 111.433 -176.952 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.16 69.1 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.95 0.9 . . . . 0.0 112.308 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p -68.04 -10.82 56.76 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.545 1.938 . . . . 0.0 114.036 172.001 . . . . . . . . 1 1 . 1 . 032 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.905 0 N-CA-C 105.442 -3.063 . . . . 0.0 105.442 -138.52 . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.931 . . . . . . . . . 0 0 . 1 . 033 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.1 -61.21 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -167.214 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.5 -113.63 0.56 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 124.595 1.093 . . . . 0.0 110.774 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.41 -35.29 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 110.476 -177.465 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.88 73.89 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -178.208 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.84 76.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 117.417 0.608 . . . . 0.0 110.784 173.681 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.19 -42.79 88.37 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 118.953 0.797 . . . . 0.0 109.422 172.599 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -65.41 -49.65 68.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.163 -172.445 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.44 -23.09 46.75 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.465 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.21 -81.91 1.6 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 123.388 0.518 . . . . 0.0 112.446 -168.708 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -53.16 -48.92 67.58 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.366 1.866 . . . . 0.0 111.516 -177.303 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -73.92 -48.38 31.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 126.039 1.736 . . . . 0.0 110.186 173.616 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.49 -30.84 73.25 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 119.202 -0.777 . . . . 0.0 112.632 -168.464 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.96 74.8 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.673 1.237 . . . . 0.0 111.578 170.906 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.15 15.26 1.58 Allowed 'General case' 0 C--N 1.34 0.172 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 170.971 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.93 22.58 1.45 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.133 0.873 . . . . 0.0 112.383 -175.229 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.1 m -71.55 70.15 0.64 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.606 1.962 . . . . 0.0 111.567 -176.595 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 p -79.37 -170.96 2.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.283 0.563 . . . . 0.0 110.301 173.093 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 m -43.57 -48.86 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 124.21 1.004 . . . . 0.0 112.058 160.305 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.53 167.9 26.27 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.582 1.087 . . . . 0.0 111.198 167.385 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 49.63 51.71 15.94 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.603 1.161 . . . . 0.0 112.013 176.677 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -28.51 69.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.646 -0.659 . . . . 0.0 111.632 -176.31 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p -70.76 -11.91 61.24 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.833 2.453 . . . . 0.0 114.747 172.492 . . . . . . . . 1 1 . 1 . 033 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.743 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -139.136 . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 117.299 -1.334 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 034 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -117.8 -46.31 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 119.589 1.086 . . . . 0.0 112.574 -167.3 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -115.73 0.57 Allowed Glycine 0 C--N 1.341 0.858 0 CA-C-O 122.631 1.128 . . . . 0.0 110.516 175.298 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.4 mm -61.11 -35.89 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.962 0.905 . . . . 0.0 109.935 -178.289 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.68 -14.58 75.31 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.032 -1.426 . . . . 0.0 113.999 176.463 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -43.23 75.37 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 120.375 2.088 . . . . 0.0 109.68 161.461 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.83 -37.49 87.0 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.292 0.637 . . . . 0.0 109.327 -178.658 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -60.94 -50.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 0.0 111.294 -174.12 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.22 -19.34 34.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.775 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.01 -74.75 1.07 Allowed Glycine 0 C--O 1.224 -0.492 0 C-N-CA 124.389 0.995 . . . . 0.0 111.869 -168.316 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.84 -49.31 66.15 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.607 1.563 . . . . 0.0 110.95 -176.264 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.77 -40.01 63.77 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.493 1.917 . . . . 0.0 109.727 175.166 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.45 -29.28 72.98 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 118.891 -0.949 . . . . 0.0 112.64 178.913 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.44 75.79 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.517 1.658 . . . . 0.0 111.474 168.37 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.81 15.7 1.34 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.628 1.171 . . . . 0.0 113.775 168.514 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.05 42.12 1.34 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.626 1.584 . . . . 0.0 111.707 -177.955 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 m -81.51 -45.41 15.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.067 1.347 . . . . 0.0 110.325 171.477 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 m -90.42 -81.77 0.29 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.158 0.983 . . . . 0.0 109.249 -177.517 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -44.17 149.93 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.426 1.09 . . . . 0.0 111.268 155.286 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.44 -42.99 39.34 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 172.89 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 48.57 -9.28 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 130.967 3.707 . . . . 0.0 120.167 166.805 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.75 -28.69 69.62 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.823 1.647 . . . . 0.0 112.126 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -74.59 -17.27 60.74 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.828 1.251 . . . . 0.0 113.138 175.721 . . . . . . . . 1 1 . 1 . 034 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.335 0 CA-C-O 117.464 -1.742 . . . . 0.0 109.428 -162.738 . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 118.058 -0.972 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 035 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -131.22 -89.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 118.82 0.736 . . . . 0.0 111.903 -172.913 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.57 -115.38 0.6 Allowed Glycine 0 C--N 1.341 0.844 0 C-N-CA 125.196 1.379 . . . . 0.0 111.802 -175.309 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -57.84 -33.85 46.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.749 1.22 . . . . 0.0 110.346 -178.293 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.71 83.03 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -32.73 72.8 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 117.444 0.622 . . . . 0.0 111.438 174.111 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.63 -43.94 75.28 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 119.069 0.849 . . . . 0.0 110.189 171.595 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.32 -49.69 70.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.526 -171.951 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.65 -38.54 47.52 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.052 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.0 -72.22 1.12 Allowed Glycine 0 N--CA 1.462 0.393 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -160.933 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -55.24 -48.81 73.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.686 0.794 . . . . 0.0 111.271 -178.318 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.09 -50.99 23.67 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.476 1.51 . . . . 0.0 110.804 175.682 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.27 -20.3 74.98 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 119.724 1.147 . . . . 0.0 113.535 -173.785 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.76 89.29 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.528 1.664 . . . . 0.0 110.789 166.082 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 14.95 1.55 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.661 1.184 . . . . 0.0 113.422 167.531 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.13 29.37 1.14 Allowed Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.585 1.564 . . . . 0.0 111.785 -179.617 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -72.09 -20.92 61.58 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.882 1.273 . . . . 0.0 111.018 169.609 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -90.45 -107.56 0.09 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 166.769 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -44.14 114.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.307 0 C-N-CA 124.641 1.176 . . . . 0.0 111.794 164.592 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.4 135.73 20.08 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 178.126 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 84.25 0.45 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.479 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.03 68.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.661 1.184 . . . . 0.0 112.723 -170.418 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -64.58 -19.87 65.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.067 1.747 . . . . 0.0 113.84 173.253 . . . . . . . . 1 1 . 1 . 035 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.599 0 CA-C-O 117.833 -1.537 . . . . 0.0 109.46 -141.428 . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 117.38 -1.295 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 036 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 t 69.25 -52.9 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 127.825 2.45 . . . . 0.0 114.593 166.766 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.21 -110.49 0.51 Allowed Glycine 0 CA--C 1.522 0.527 0 C-N-CA 125.241 1.401 . . . . 0.0 109.81 169.733 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.09 -34.5 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.995 0.918 . . . . 0.0 110.833 -176.44 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.14 -31.47 74.89 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.924 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.54 -31.67 71.07 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.923 0.861 . . . . 0.0 111.006 172.957 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.55 -40.72 84.99 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.174 0.897 . . . . 0.0 109.104 169.391 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -66.66 -49.37 66.38 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.129 0.572 . . . . 0.0 111.816 -170.582 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 pp -77.98 -23.75 48.3 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.002 175.682 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.14 -80.77 1.5 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.687 0.617 . . . . 0.0 112.682 -166.783 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.94 -48.95 74.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.25 1.82 . . . . 0.0 111.731 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 tp -69.43 -44.3 71.62 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.114 1.766 . . . . 0.0 110.03 174.141 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.34 -27.87 73.55 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 118.788 0.722 . . . . 0.0 112.143 -175.507 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.97 -29.3 70.7 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.611 1.206 . . . . 0.0 112.037 169.635 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.83 15.58 1.38 Allowed 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.247 1.019 . . . . 0.0 113.629 170.642 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.83 56.99 2.63 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.061 2.267 . . . . 0.0 110.545 -173.485 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 p -64.1 70.94 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 1 C-N-CA 131.842 4.057 . . . . 0.0 110.73 179.302 . . . . . . . . 2 2 . 1 . 036 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -67.82 109.22 3.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 173.875 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.7 t -44.2 -30.99 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 125.498 1.519 . . . . 0.0 112.505 158.192 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.44 -148.57 24.42 Favored Glycine 0 C--N 1.343 0.924 0 C-N-CA 125.694 1.616 . . . . 0.0 111.326 176.875 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.04 177.83 7.1 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.503 0.668 . . . . 0.0 110.27 167.198 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.9 -28.6 69.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.132 0.973 . . . . 0.0 112.073 175.228 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 p -74.2 -11.04 60.18 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.218 1.807 . . . . 0.0 113.553 173.568 . . . . . . . . 1 1 . 1 . 036 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.526 0 N-CA-C 106.211 -2.755 . . . . 0.0 106.211 -138.757 . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.602 0.239 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 037 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 t 35.87 -63.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 1 C-N-CA 133.381 4.672 . . . . 0.0 117.236 160.351 . . . . . . . . 2 2 . 1 . 037 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.15 -107.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 172.241 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.86 -38.56 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.786 1.235 . . . . 0.0 111.09 -174.895 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.2 -29.03 69.11 Favored Glycine 0 C--N 1.34 0.751 0 CA-C-O 119.344 -0.698 . . . . 0.0 111.606 -177.311 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.14 73.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 117.821 0.81 . . . . 0.0 110.855 172.791 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -66.21 -41.03 90.7 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.496 1.044 . . . . 0.0 109.488 169.574 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -67.61 -49.47 62.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 111.887 -169.71 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.47 -23.47 43.04 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.662 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.1 -78.7 1.33 Allowed Glycine 0 C--N 1.338 0.639 0 O-C-N 123.697 0.623 . . . . 0.0 112.444 -166.418 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.97 -49.18 77.69 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.166 1.387 . . . . 0.0 111.564 -177.385 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.75 -44.39 73.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.049 1.739 . . . . 0.0 110.031 175.29 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.4 -32.94 76.25 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 119.483 -0.621 . . . . 0.0 112.028 -176.121 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.63 78.14 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.616 1.208 . . . . 0.0 111.246 170.377 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 15.32 1.34 Allowed 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 170.707 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 65.42 2.25 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 126.559 2.028 . . . . 0.0 109.682 -168.31 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.6 m -67.12 64.21 0.06 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 129.586 3.154 . . . . 0.0 112.351 -169.934 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -68.15 150.1 48.76 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.828 1.251 . . . . 0.0 110.433 176.58 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.4 m -44.08 152.34 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 123.084 0.554 . . . . 0.0 111.227 146.929 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.7 174.44 48.41 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 164.945 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.08 16.37 2.19 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.971 1.708 . . . . 0.0 114.794 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -28.85 69.97 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.146 -0.971 . . . . 0.0 112.727 -178.84 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -78.46 -10.27 59.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.06 1.344 . . . . 0.0 112.913 174.303 . . . . . . . . 1 1 . 1 . 037 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-O 116.431 -2.316 . . . . 0.0 108.28 -139.011 . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 117.696 -1.145 . . . . 0.0 108.261 . . . . . . . . . 0 0 . 1 . 038 nuclear build full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -140.18 -73.03 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 118.831 0.741 . . . . 0.0 111.133 -173.146 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.43 -111.79 0.54 Allowed Glycine 0 C--N 1.339 0.718 0 C-N-CA 125.444 1.497 . . . . 0.0 110.893 175.354 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.1 mm -57.81 -33.5 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.138 0.975 . . . . 0.0 110.499 -178.487 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.26 -32.02 80.83 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.996 0.808 . . . . 0.0 111.806 178.827 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.33 73.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.729 0.764 . . . . 0.0 111.428 172.329 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.46 -41.6 84.39 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 119.046 0.839 . . . . 0.0 108.931 172.54 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.85 -49.71 73.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.736 0.779 . . . . 0.0 111.873 -177.364 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -69.75 -38.41 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.126 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.57 -73.88 1.04 Allowed Glycine 0 C--O 1.227 -0.34 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.291 -159.981 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.1 -49.06 78.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.046 1.339 . . . . 0.0 111.19 -177.374 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tp -68.61 -48.21 64.71 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 126.712 2.005 . . . . 0.0 109.866 173.227 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.62 -27.15 74.02 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 119.133 0.879 . . . . 0.0 112.588 -172.392 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.47 89.8 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.857 1.329 . . . . 0.0 110.967 169.479 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.1 14.25 1.95 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 170.301 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.5 35.38 1.16 Allowed Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.929 1.252 . . . . 0.0 111.38 176.745 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 m -63.92 -33.14 75.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.2 1.4 . . . . 0.0 111.984 -164.779 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.6 m -76.54 56.49 1.12 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.092 1.357 . . . . 0.0 109.18 170.594 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 m -43.74 114.73 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.257 1.823 . . . . 0.0 112.119 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.26 -25.67 33.01 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.575 -0.57 . . . . 0.0 113.442 -168.948 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.31 60.92 0.9 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.954 1.302 . . . . 0.0 108.816 -179.352 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -28.41 69.36 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.857 -0.527 . . . . 0.0 111.992 -178.199 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 p -71.31 -13.56 61.92 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.995 2.118 . . . . 0.0 114.018 172.866 . . . . . . . . 1 1 . 1 . 038 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.618 0 CA-C-O 118.219 -1.323 . . . . 0.0 110.033 -139.468 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.463 0 N-CA-C 110.587 -1.005 . . . . 0.0 110.587 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.04 -34.07 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.136 0.974 . . . . 0.0 110.388 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.79 84.63 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.006 0.812 . . . . 0.0 111.813 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.49 72.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 117.88 0.84 . . . . 0.0 110.941 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.28 -39.31 82.18 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.352 0.978 . . . . 0.0 109.398 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.15 -49.46 67.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.22 1.009 . . . . 0.0 112.257 -173.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -72.39 -36.67 68.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.71 -71.28 0.97 Allowed Glycine 0 N--CA 1.463 0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.706 -160.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.07 -49.22 78.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.045 1.338 . . . . 0.0 111.165 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.54 -43.47 80.66 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.898 1.679 . . . . 0.0 110.011 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.149 0 CA-C-N 119.314 0.961 . . . . 0.0 112.422 -177.931 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.428 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.82 -34.85 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.137 0.975 . . . . 0.0 110.867 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.11 71.34 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.413 -0.659 . . . . 0.0 111.972 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.88 76.96 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 117.892 0.846 . . . . 0.0 110.27 172.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.91 -39.89 83.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 118.863 0.756 . . . . 0.0 109.793 171.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.56 -49.47 66.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.117 0.961 . . . . 0.0 112.087 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.01 -36.96 67.12 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.46 -74.92 1.23 Allowed Glycine 0 N--CA 1.462 0.391 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.034 -160.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.02 -49.08 78.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.233 1.413 . . . . 0.0 111.207 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.67 -48.21 64.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.042 1.737 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.01 0 CA-C-N 119.097 0.862 . . . . 0.0 112.587 -173.714 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.291 0 CA-C-O 122.605 1.114 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.0 -33.41 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.394 1.078 . . . . 0.0 110.478 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.44 -32.16 78.51 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.28 75.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.312 0.556 . . . . 0.0 110.27 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.93 -40.43 83.32 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.619 0.645 . . . . 0.0 109.829 171.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.67 -49.49 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.555 0.742 . . . . 0.0 111.706 -168.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pp -80.51 -22.5 40.89 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.68 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.99 -80.23 1.46 Allowed Glycine 0 C--N 1.337 0.616 0 O-C-N 123.605 0.566 . . . . 0.0 112.542 -165.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.43 -48.99 77.68 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.796 1.638 . . . . 0.0 111.675 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.67 -46.38 72.52 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.024 1.73 . . . . 0.0 109.8 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.203 0 CA-C-O 119.278 -0.734 . . . . 0.0 112.46 -174.941 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.475 0 CA-C-O 122.542 1.079 . . . . 0.0 110.632 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.69 -31.19 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.523 0.729 . . . . 0.0 109.717 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.33 -16.91 75.68 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.457 1.503 . . . . 0.0 113.245 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.42 77.58 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.632 1.716 . . . . 0.0 109.682 162.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.84 -37.55 84.69 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.12 -49.76 68.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.174 0.988 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.93 -36.6 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.168 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.88 -72.92 1.07 Allowed Glycine 0 C--O 1.226 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.178 -159.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.16 -49.17 78.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.38 1.472 . . . . 0.0 111.181 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.47 -40.95 73.36 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.281 1.833 . . . . 0.0 110.211 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.155 0 CA-C-N 119.053 0.842 . . . . 0.0 111.851 179.458 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.369 0 N-CA-C 110.594 -1.003 . . . . 0.0 110.594 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.97 -37.27 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.719 1.208 . . . . 0.0 110.786 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.79 -32.01 67.07 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.29 -30.96 70.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.481 0.64 . . . . 0.0 111.324 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.46 -41.85 83.97 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.642 1.11 . . . . 0.0 109.626 167.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -68.12 -49.59 60.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.131 0.491 . . . . 0.0 111.943 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -80.55 -21.75 41.47 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.801 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.06 -81.17 1.54 Allowed Glycine 0 C--N 1.339 0.735 0 O-C-N 123.604 0.565 . . . . 0.0 111.888 -168.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.13 -49.01 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.345 1.458 . . . . 0.0 111.707 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.52 -49.39 33.12 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.283 1.833 . . . . 0.0 110.229 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 CA-C-N 118.663 0.665 . . . . 0.0 112.579 -170.598 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.518 0 N-CA-C 111.025 -0.83 . . . . 0.0 111.025 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.91 -33.61 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.228 1.011 . . . . 0.0 110.467 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.75 -32.25 82.36 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 123.972 0.796 . . . . 0.0 111.738 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.83 72.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.678 0.739 . . . . 0.0 111.07 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.91 -39.92 83.49 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 119.376 0.989 . . . . 0.0 109.194 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.15 -49.36 72.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.41 1.1 . . . . 0.0 112.166 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.26 -37.72 69.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.49 -69.77 0.92 Allowed Glycine 0 C--O 1.224 -0.484 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.742 -158.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.59 -49.24 74.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 tp -66.6 -41.88 87.76 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.103 1.761 . . . . 0.0 109.719 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.249 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.859 179.537 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.639 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -55.48 -36.68 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.331 1.052 . . . . 0.0 111.291 -174.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.53 -30.18 69.11 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-O 119.491 -0.616 . . . . 0.0 111.565 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.26 75.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.638 0.719 . . . . 0.0 110.543 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.5 -40.6 85.19 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 118.949 0.795 . . . . 0.0 109.882 170.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.41 -49.49 63.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.165 0.983 . . . . 0.0 112.207 -170.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.19 -35.9 69.07 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.97 -74.55 1.15 Allowed Glycine 0 N--CA 1.463 0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.295 -160.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.51 -48.95 79.12 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.005 1.322 . . . . 0.0 111.369 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.74 -47.36 69.5 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.294 1.838 . . . . 0.0 110.03 173.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.073 0 CA-C-N 119.286 0.948 . . . . 0.0 112.476 -174.434 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.47 0 CA-C-O 122.56 1.089 . . . . 0.0 110.619 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.49 -31.26 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.605 0.717 . . . . 0.0 109.749 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.28 -16.88 75.58 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.187 1.851 . . . . 0.0 113.148 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.82 -45.95 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 119.467 1.634 . . . . 0.0 109.513 162.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.4 -38.01 89.54 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 123.419 0.688 . . . . 0.0 109.764 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -60.49 -49.06 79.06 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.339 1.456 . . . . 0.0 112.532 -175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -76.3 -38.55 55.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.106 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.28 -67.47 0.9 Allowed Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.662 -157.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -67.07 -49.19 65.91 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.925 1.29 . . . . 0.0 110.618 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 tp -63.9 -42.98 97.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.702 1.601 . . . . 0.0 109.808 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.215 0 CA-C-O 119.034 -0.87 . . . . 0.0 112.263 179.658 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.447 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.72 -35.57 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.049 0.94 . . . . 0.0 110.78 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.92 -27.88 71.51 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-O 119.362 -0.688 . . . . 0.0 111.931 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.42 76.08 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 117.842 0.821 . . . . 0.0 110.237 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.22 -41.4 81.35 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.033 0.833 . . . . 0.0 109.947 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.74 -49.51 68.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.363 1.077 . . . . 0.0 112.285 -168.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.66 -38.01 55.29 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.24 -71.73 1.15 Allowed Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.854 -160.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.58 -49.24 76.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.974 0.91 . . . . 0.0 111.614 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.87 -45.13 83.22 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.164 1.786 . . . . 0.0 109.759 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.114 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.026 -179.072 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.505 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.5 mm -57.95 -34.19 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 123.844 0.858 . . . . 0.0 110.788 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -26.83 73.34 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.0 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.79 74.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 118.201 1.001 . . . . 0.0 110.494 171.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.17 -39.65 82.52 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.136 0.88 . . . . 0.0 109.85 171.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.15 -49.58 64.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.163 0.982 . . . . 0.0 112.236 -171.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.83 -36.64 64.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.3 -72.83 1.08 Allowed Glycine 0 N--CA 1.462 0.406 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.219 -160.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -59.38 -48.97 79.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.447 1.099 . . . . 0.0 111.347 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.97 -47.36 71.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.066 1.747 . . . . 0.0 110.106 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.099 0 CA-C-O 119.008 -0.884 . . . . 0.0 113.038 -175.572 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.454 0 CA-C-O 122.259 0.922 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -58.65 -33.31 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.992 0.917 . . . . 0.0 110.35 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.55 79.42 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.783 0.706 . . . . 0.0 111.721 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -32.06 71.61 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 117.881 0.841 . . . . 0.0 111.117 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.17 -41.4 81.55 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.224 0.92 . . . . 0.0 109.437 169.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -65.22 -49.45 69.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.341 1.067 . . . . 0.0 112.164 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.5 -40.42 66.88 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.02 -70.92 1.04 Allowed Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.14 -157.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.62 -49.2 78.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.276 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.83 -46.01 76.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 126.211 1.805 . . . . 0.0 109.876 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 CA-C-N 119.405 1.002 . . . . 0.0 112.493 -177.415 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.438 0 N-CA-C 110.855 -0.898 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.5 mm -58.29 -33.18 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 124.104 0.962 . . . . 0.0 110.553 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.16 -32.64 82.87 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 123.92 0.771 . . . . 0.0 111.686 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.828 0.814 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.77 -39.89 84.07 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.233 0.924 . . . . 0.0 109.048 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.97 -49.46 70.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.315 1.055 . . . . 0.0 112.198 -173.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.38 -36.78 71.55 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.27 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.64 -71.78 0.96 Allowed Glycine 0 N--CA 1.463 0.441 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.68 -159.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.49 -49.24 77.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.119 1.368 . . . . 0.0 111.187 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.58 -42.18 82.96 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.193 1.797 . . . . 0.0 109.932 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.19 0 CA-C-N 119.224 0.92 . . . . 0.0 112.095 -179.172 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.582 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -56.4 -37.15 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 124.245 1.018 . . . . 0.0 111.134 -174.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.05 71.38 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.47 70.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.382 0.591 . . . . 0.0 111.174 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.81 -42.47 81.49 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 119.356 0.98 . . . . 0.0 109.579 168.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.45 -49.7 62.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.041 0.448 . . . . 0.0 111.75 -167.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.32 -18.95 37.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.192 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -81.29 1.55 Allowed Glycine 0 C--N 1.339 0.716 0 O-C-N 123.477 0.486 . . . . 0.0 112.086 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.26 -49.02 73.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.503 1.521 . . . . 0.0 111.814 -176.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.15 -47.48 35.64 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 126.309 1.843 . . . . 0.0 110.022 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.101 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.76 -170.615 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.602 0 N-CA-C 110.74 -0.944 . . . . 0.0 110.74 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.73 -33.91 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 124.086 0.955 . . . . 0.0 110.64 -176.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.0 -33.01 82.48 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -30.59 69.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.382 0.673 . . . . 0.0 111.032 175.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.01 -41.71 81.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 109.295 167.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.7 -49.49 65.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.257 0.551 . . . . 0.0 111.918 -170.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.53 -23.45 42.86 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.882 175.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.13 -79.14 1.37 Allowed Glycine 0 C--N 1.337 0.632 0 O-C-N 123.612 0.57 . . . . 0.0 112.671 -167.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -56.78 -49.04 76.5 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.674 1.59 . . . . 0.0 111.809 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.63 -42.84 73.77 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.11 1.764 . . . . 0.0 109.965 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.535 1.288 0 CA-C-N 118.82 0.736 . . . . 0.0 112.043 -177.668 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.408 0 CA-C-O 122.295 0.942 . . . . 0.0 111.053 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.67 -33.9 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.228 1.011 . . . . 0.0 110.405 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.68 -31.75 79.37 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.644 0.64 . . . . 0.0 111.709 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.0 73.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.82 0.81 . . . . 0.0 110.737 173.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -67.98 -40.45 83.13 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.003 0.819 . . . . 0.0 109.32 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.1 -49.47 67.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.254 1.026 . . . . 0.0 112.092 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.33 -36.1 68.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.93 -73.14 1.05 Allowed Glycine 0 N--CA 1.462 0.422 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.45 -160.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.07 -49.02 79.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.084 1.354 . . . . 0.0 111.368 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -67.55 -43.26 81.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.376 1.87 . . . . 0.0 110.175 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 CA-C-N 119.255 0.934 . . . . 0.0 112.194 -177.759 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.403 0 CA-C-O 122.523 1.068 . . . . 0.0 110.595 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.3 mm -60.46 -31.86 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.37 -28.64 72.33 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.085 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.88 73.27 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 118.548 1.174 . . . . 0.0 110.478 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.15 -39.83 82.55 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.895 0.77 . . . . 0.0 109.257 170.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.58 -49.65 62.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.135 -0.353 . . . . 0.0 111.574 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.16 -20.77 44.08 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.145 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -80.38 1.47 Allowed Glycine 0 N--CA 1.465 0.583 0 O-C-N 123.471 0.482 . . . . 0.0 112.696 -169.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.82 -48.85 74.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.323 1.849 . . . . 0.0 111.559 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -73.36 -45.67 53.62 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.113 1.765 . . . . 0.0 110.254 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.051 0 CA-C-N 119.168 0.895 . . . . 0.0 113.133 -172.953 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.48 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.75 -34.24 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.85 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.65 -14.53 75.21 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.758 1.647 . . . . 0.0 113.893 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.2 60.01 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 120.004 1.902 . . . . 0.0 109.178 159.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.53 -35.98 81.13 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.584 0.754 . . . . 0.0 110.289 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.99 -49.47 72.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.241 1.016 . . . . 0.0 112.257 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -21.31 31.68 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.248 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.51 -77.11 1.23 Allowed Glycine 0 C--O 1.224 -0.521 0 O-C-N 123.525 0.516 . . . . 0.0 111.931 -163.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.97 -49.28 73.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.943 1.297 . . . . 0.0 111.176 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.57 -44.56 86.37 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.723 1.609 . . . . 0.0 109.806 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.121 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.919 -178.356 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.423 0 CA-C-O 122.063 0.813 . . . . 0.0 111.417 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mm -54.42 -35.58 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.364 1.466 . . . . 0.0 111.091 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.8 -30.57 70.37 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.26 79.55 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 117.463 0.632 . . . . 0.0 110.666 171.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.78 -41.42 97.95 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.092 0.86 . . . . 0.0 109.776 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.1 -49.57 75.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.921 0.488 . . . . 0.0 111.424 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -81.05 -24.1 38.09 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.468 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.79 1.27 Allowed Glycine 0 C--O 1.225 -0.465 0 C-N-CA 123.822 0.725 . . . . 0.0 112.192 -166.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.62 -49.27 78.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.242 1.417 . . . . 0.0 111.511 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.91 -42.79 80.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.711 1.604 . . . . 0.0 109.807 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.247 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.209 -177.813 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.525 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.21 -34.15 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.17 -29.17 70.64 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.417 -0.657 . . . . 0.0 111.977 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.78 74.76 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.951 0.875 . . . . 0.0 110.523 172.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.51 -40.06 85.13 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 119.166 0.894 . . . . 0.0 109.434 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.53 -49.45 68.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.301 1.048 . . . . 0.0 112.197 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -71.64 -36.95 70.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.57 -70.91 0.96 Allowed Glycine 0 N--CA 1.463 0.435 0 CA-C-N 115.322 -0.853 . . . . 0.0 112.831 -159.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.45 -49.25 76.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 111.169 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.41 -41.32 85.08 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 126.266 1.827 . . . . 0.0 110.008 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.18 0 CA-C-N 119.067 0.848 . . . . 0.0 112.077 179.514 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.537 0 CA-C-O 122.521 1.067 . . . . 0.0 110.467 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.97 -34.79 64.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.821 0.82 . . . . 0.0 109.958 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.58 -14.04 74.79 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 118.163 -1.354 . . . . 0.0 114.035 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.47 74.62 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 120.15 1.975 . . . . 0.0 110.033 160.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.74 -36.89 85.35 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.2 0.6 . . . . 0.0 109.483 -177.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -58.67 -49.7 76.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.597 0.759 . . . . 0.0 111.86 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.17 -24.48 30.15 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.913 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.88 -78.12 1.3 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 124.102 0.858 . . . . 0.0 111.633 -166.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.87 -49.12 78.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.28 1.432 . . . . 0.0 111.341 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.57 -44.78 77.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.531 1.532 . . . . 0.0 110.011 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.131 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.112 -175.069 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.476 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.47 -34.53 58.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 123.973 0.909 . . . . 0.0 109.895 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.56 -15.58 75.46 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.748 1.642 . . . . 0.0 114.024 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -45.95 69.0 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.961 1.88 . . . . 0.0 109.838 160.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.9 -35.24 77.78 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.529 0.732 . . . . 0.0 109.647 -177.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.9 -49.75 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.494 0.718 . . . . 0.0 111.783 -178.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pp -84.06 -23.77 30.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.561 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.61 -74.26 1.06 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 124.289 0.947 . . . . 0.0 111.872 -166.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.68 -49.38 66.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.796 1.238 . . . . 0.0 111.154 -174.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.57 -42.69 86.64 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.935 1.694 . . . . 0.0 109.559 174.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.103 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.665 -177.623 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.446 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.6 mm -56.33 -35.52 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.47 1.108 . . . . 0.0 110.87 -175.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.89 -28.49 70.55 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.252 -0.749 . . . . 0.0 111.567 -177.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.33 74.0 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 118.149 0.974 . . . . 0.0 110.727 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.86 -42.2 81.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.972 0.805 . . . . 0.0 109.544 172.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -66.48 -49.64 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -172.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -81.62 -24.0 36.66 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.91 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -76.64 1.18 Allowed Glycine 0 C--N 1.336 0.576 0 O-C-N 123.688 0.617 . . . . 0.0 111.804 -167.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.03 -49.16 78.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.205 1.002 . . . . 0.0 111.608 -175.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.54 -44.97 77.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.053 1.741 . . . . 0.0 109.855 174.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.269 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.222 -175.647 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.491 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.25 -37.06 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.058 0.943 . . . . 0.0 109.938 -178.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.67 -15.77 75.77 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.008 1.29 . . . . 0.0 113.828 177.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.71 74.25 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.099 1.949 . . . . 0.0 109.788 161.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.11 -35.88 81.75 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.451 0.7 . . . . 0.0 109.742 -177.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -59.55 -49.8 76.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.871 0.468 . . . . 0.0 111.636 -177.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.03 -20.83 32.06 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.467 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.05 1.22 Allowed Glycine 0 C--O 1.226 -0.397 0 C-N-CA 124.486 1.041 . . . . 0.0 111.782 -167.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -64.6 -49.24 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.69 1.596 . . . . 0.0 111.059 -174.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.11 -44.09 73.14 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.85 1.66 . . . . 0.0 109.717 174.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.083 0 CA-C-O 119.191 -0.783 . . . . 0.0 111.89 -175.047 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.529 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -55.41 -35.86 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.815 1.246 . . . . 0.0 110.868 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -29.74 69.02 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.336 -0.702 . . . . 0.0 111.683 -177.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.84 74.86 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 117.987 0.893 . . . . 0.0 110.803 172.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.34 -42.06 84.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 118.876 0.762 . . . . 0.0 109.357 172.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -66.35 -49.76 65.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.346 -173.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.49 -23.72 42.79 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.17 -79.75 1.42 Allowed Glycine 0 C--N 1.335 0.481 0 O-C-N 123.64 0.587 . . . . 0.0 111.997 -168.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -56.59 -49.12 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 111.623 -175.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -70.8 -47.07 61.42 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.183 1.793 . . . . 0.0 110.044 173.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 CA-C-O 119.266 -0.741 . . . . 0.0 112.725 -171.166 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.349 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mm -59.59 -36.44 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.669 0.787 . . . . 0.0 110.009 -177.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -15.69 75.59 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 125.417 1.485 . . . . 0.0 113.734 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.51 57.69 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.744 1.772 . . . . 0.0 109.196 160.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.03 -35.38 78.42 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.63 0.772 . . . . 0.0 110.516 -174.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.54 -49.59 70.65 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.669 1.188 . . . . 0.0 112.222 -169.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.52 -20.68 31.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.91 173.14 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.49 -76.73 1.21 Allowed Glycine 0 C--O 1.224 -0.508 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 -163.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.02 -49.27 75.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.824 1.249 . . . . 0.0 110.949 -177.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.13 -45.65 84.16 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.177 1.391 . . . . 0.0 109.863 176.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.225 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.23 -177.722 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.481 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -61.16 -34.59 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.925 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.53 -15.3 75.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.836 1.684 . . . . 0.0 113.704 176.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.0 64.1 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.817 1.809 . . . . 0.0 109.522 160.212 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.66 -35.26 79.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.848 0.859 . . . . 0.0 110.003 -176.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -62.43 -49.32 75.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.656 1.182 . . . . 0.0 111.88 -173.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -83.88 -20.9 32.26 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.495 175.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.81 -78.54 1.33 Allowed Glycine 0 C--N 1.335 0.482 0 O-C-N 123.623 0.577 . . . . 0.0 112.112 -165.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.24 -49.08 78.57 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.821 1.649 . . . . 0.0 111.281 -177.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -66.73 -43.73 83.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.424 1.489 . . . . 0.0 109.873 175.529 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.274 0 CA-C-O 119.49 -0.617 . . . . 0.0 112.045 -178.474 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.52 0.391 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.9 mm -55.75 -35.89 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.757 1.223 . . . . 0.0 110.921 -174.624 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.95 68.84 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -177.219 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.42 75.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.83 0.815 . . . . 0.0 110.616 173.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.32 -42.73 83.13 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 118.898 0.772 . . . . 0.0 109.338 172.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -65.43 -49.59 68.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.643 -172.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.91 -23.87 38.63 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.163 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.09 -78.42 1.31 Allowed Glycine 0 C--N 1.336 0.56 0 O-C-N 123.615 0.572 . . . . 0.0 111.752 -167.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -58.39 -49.33 77.63 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.784 1.234 . . . . 0.0 111.633 -175.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.55 -44.63 74.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.175 1.79 . . . . 0.0 110.08 175.489 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.236 0 CA-C-O 119.509 -0.606 . . . . 0.0 111.911 -175.491 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.61 0 N-CA-C 109.935 -1.266 . . . . 0.0 109.935 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.1 mm -56.17 -36.84 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.183 0.993 . . . . 0.0 111.511 -174.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.03 69.59 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.52 72.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.588 0.694 . . . . 0.0 111.32 173.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.58 -42.13 83.02 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.272 0.942 . . . . 0.0 109.682 169.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -67.18 -49.73 63.56 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.293 -172.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.63 -23.28 45.95 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.743 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.15 -79.01 1.35 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.209 -169.314 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.25 -48.9 77.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.533 1.533 . . . . 0.0 111.524 -175.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.03 -43.88 64.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.275 1.83 . . . . 0.0 110.313 173.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.134 0 CA-C-N 118.996 0.817 . . . . 0.0 112.422 -174.435 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.415 0 N-CA-C 110.722 -0.951 . . . . 0.0 110.722 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.86 -34.04 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.229 1.012 . . . . 0.0 110.397 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.13 73.1 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 123.572 0.606 . . . . 0.0 111.974 179.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.61 74.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.018 0.909 . . . . 0.0 111.169 171.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -67.92 -39.39 83.54 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.964 0.802 . . . . 0.0 109.151 172.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.42 -50.13 66.61 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.126 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.25 -37.22 83.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.989 0.899 . . . . 0.0 108.96 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -70.4 0.88 Allowed Glycine 0 CA--C 1.519 0.32 0 CA-C-N 114.175 -1.375 . . . . 0.0 112.072 -162.392 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.55 -49.19 74.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.024 1.33 . . . . 0.0 111.175 -176.001 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tp -69.42 -43.85 72.56 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 126.032 1.733 . . . . 0.0 109.69 173.319 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.136 0 CA-C-N 119.785 1.175 . . . . 0.0 111.979 -175.333 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.411 0 N-CA-C 110.687 -0.965 . . . . 0.0 110.687 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.82 -36.42 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 125.148 1.379 . . . . 0.0 110.374 -174.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.17 -34.82 81.86 Favored Glycine 0 C--N 1.341 0.841 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -177.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.99 73.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.308 0.643 . . . . 0.0 111.013 176.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.92 -44.83 75.95 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 109.783 170.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -65.82 -49.69 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.243 -169.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.83 -20.62 32.88 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.661 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.02 -82.78 1.68 Allowed Glycine 0 C--N 1.336 0.571 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -171.211 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -51.64 -48.51 63.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.091 1.356 . . . . 0.0 111.897 -176.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.74 -52.55 8.22 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.412 1.485 . . . . 0.0 110.213 171.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.934 0 CA-C-O 118.74 -1.033 . . . . 0.0 114.096 -163.705 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.561 0 N-CA-C 110.408 -1.077 . . . . 0.0 110.408 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.84 -31.63 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.73 0.776 . . . . 0.0 109.568 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.4 -15.8 75.24 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.729 1.633 . . . . 0.0 113.287 176.623 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.83 72.53 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.585 1.693 . . . . 0.0 109.595 161.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.15 -39.87 90.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -175.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -57.91 -49.55 76.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.812 0.815 . . . . 0.0 112.397 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.88 -36.85 49.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.876 -177.195 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.9 -71.8 0.96 Allowed Glycine 0 C--O 1.226 -0.356 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.827 -161.432 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -60.52 -49.02 79.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.441 1.097 . . . . 0.0 111.035 -176.418 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.84 -47.12 72.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.808 1.643 . . . . 0.0 110.048 172.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 CA-C-N 119.083 0.856 . . . . 0.0 112.501 -173.319 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.461 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.26 -32.91 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 123.85 0.86 . . . . 0.0 109.679 178.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.46 -17.01 75.94 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.613 1.578 . . . . 0.0 113.512 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.17 72.23 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.724 1.762 . . . . 0.0 109.346 162.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.25 -38.87 92.85 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 123.326 0.65 . . . . 0.0 109.353 -177.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -58.34 -49.77 76.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 122.015 0.912 . . . . 0.0 111.866 178.845 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.44 -36.55 63.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.032 -176.041 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -69.04 0.84 Allowed Glycine 0 CA--C 1.523 0.544 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.793 -163.657 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -66.75 -49.23 66.64 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 110.991 -174.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.63 -40.96 93.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.815 1.646 . . . . 0.0 109.56 170.192 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.13 0 CA-C-N 119.135 0.879 . . . . 0.0 112.417 -176.243 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.329 0 CA-C-O 122.317 0.954 . . . . 0.0 110.774 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.41 -35.29 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 110.476 -177.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.88 73.89 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -178.208 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.84 76.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 117.417 0.608 . . . . 0.0 110.784 173.681 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.19 -42.79 88.37 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 118.953 0.797 . . . . 0.0 109.422 172.599 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -65.41 -49.65 68.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.163 -172.445 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.44 -23.09 46.75 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.465 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.21 -81.91 1.6 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 123.388 0.518 . . . . 0.0 112.446 -168.708 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -53.16 -48.92 67.58 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.366 1.866 . . . . 0.0 111.516 -177.303 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -73.92 -48.38 31.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 126.039 1.736 . . . . 0.0 110.186 173.616 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 CA-C-O 119.202 -0.777 . . . . 0.0 112.632 -168.464 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.439 0 CA-C-O 122.631 1.128 . . . . 0.0 110.516 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.4 mm -61.11 -35.89 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.962 0.905 . . . . 0.0 109.935 -178.289 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.68 -14.58 75.31 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.032 -1.426 . . . . 0.0 113.999 176.463 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -43.23 75.37 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 120.375 2.088 . . . . 0.0 109.68 161.461 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.83 -37.49 87.0 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.292 0.637 . . . . 0.0 109.327 -178.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -60.94 -50.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 0.0 111.294 -174.12 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.22 -19.34 34.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.775 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.01 -74.75 1.07 Allowed Glycine 0 C--O 1.224 -0.492 0 C-N-CA 124.389 0.995 . . . . 0.0 111.869 -168.316 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.84 -49.31 66.15 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.607 1.563 . . . . 0.0 110.95 -176.264 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.77 -40.01 63.77 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.493 1.917 . . . . 0.0 109.727 175.166 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.22 0 CA-C-O 118.891 -0.949 . . . . 0.0 112.64 178.913 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.519 0.324 0 CA-C-O 122.859 1.255 . . . . 0.0 111.802 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -57.84 -33.85 46.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.749 1.22 . . . . 0.0 110.346 -178.293 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.71 83.03 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -32.73 72.8 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 117.444 0.622 . . . . 0.0 111.438 174.111 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.63 -43.94 75.28 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 119.069 0.849 . . . . 0.0 110.189 171.595 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.32 -49.69 70.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.526 -171.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.65 -38.54 47.52 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.052 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.0 -72.22 1.12 Allowed Glycine 0 N--CA 1.462 0.393 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -160.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -55.24 -48.81 73.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.686 0.794 . . . . 0.0 111.271 -178.318 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.09 -50.99 23.67 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.476 1.51 . . . . 0.0 110.804 175.682 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.085 0 CA-C-N 119.724 1.147 . . . . 0.0 113.535 -173.785 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.522 0.527 0 N-CA-C 109.81 -1.316 . . . . 0.0 109.81 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.09 -34.5 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.995 0.918 . . . . 0.0 110.833 -176.44 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.14 -31.47 74.89 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.924 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.54 -31.67 71.07 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.923 0.861 . . . . 0.0 111.006 172.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.55 -40.72 84.99 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.174 0.897 . . . . 0.0 109.104 169.391 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -66.66 -49.37 66.38 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.129 0.572 . . . . 0.0 111.816 -170.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 pp -77.98 -23.75 48.3 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.002 175.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.14 -80.77 1.5 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.687 0.617 . . . . 0.0 112.682 -166.783 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.94 -48.95 74.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.25 1.82 . . . . 0.0 111.731 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 tp -69.43 -44.3 71.62 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.114 1.766 . . . . 0.0 110.03 174.141 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.534 1.253 0 CA-C-N 118.788 0.722 . . . . 0.0 112.143 -175.507 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.86 -38.56 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.786 1.235 . . . . 0.0 111.09 -174.895 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.2 -29.03 69.11 Favored Glycine 0 C--N 1.34 0.751 0 CA-C-O 119.344 -0.698 . . . . 0.0 111.606 -177.311 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.14 73.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 117.821 0.81 . . . . 0.0 110.855 172.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -66.21 -41.03 90.7 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.496 1.044 . . . . 0.0 109.488 169.574 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -67.61 -49.47 62.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 111.887 -169.71 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.47 -23.47 43.04 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.662 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.1 -78.7 1.33 Allowed Glycine 0 C--N 1.338 0.639 0 O-C-N 123.697 0.623 . . . . 0.0 112.444 -166.418 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.97 -49.18 77.69 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.166 1.387 . . . . 0.0 111.564 -177.385 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.75 -44.39 73.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.049 1.739 . . . . 0.0 110.031 175.29 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.159 0 CA-C-O 119.483 -0.621 . . . . 0.0 112.028 -176.121 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.521 0.465 0 N-CA-C 110.893 -0.883 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild core ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.1 mm -57.81 -33.5 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.138 0.975 . . . . 0.0 110.499 -178.487 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.26 -32.02 80.83 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.996 0.808 . . . . 0.0 111.806 178.827 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.33 73.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.729 0.764 . . . . 0.0 111.428 172.329 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.46 -41.6 84.39 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 119.046 0.839 . . . . 0.0 108.931 172.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.85 -49.71 73.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.736 0.779 . . . . 0.0 111.873 -177.364 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -69.75 -38.41 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.126 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.57 -73.88 1.04 Allowed Glycine 0 C--O 1.227 -0.34 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.291 -159.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.1 -49.06 78.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.046 1.339 . . . . 0.0 111.19 -177.374 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tp -68.61 -48.21 64.71 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 126.712 2.005 . . . . 0.0 109.866 173.227 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 CA-C-N 119.133 0.879 . . . . 0.0 112.588 -172.392 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.73 0 CA-C-O 117.812 -1.089 . . . . 0.0 108.15 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 47.4 t -139.83 -72.26 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 CA-C-N 118.762 0.71 . . . . 0.0 110.959 -171.663 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.4 -112.19 0.54 Allowed Glycine 0 C--N 1.339 0.74 0 C-N-CA 124.975 1.274 . . . . 0.0 110.587 175.62 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.6 mm -58.04 -34.07 48.09 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.437 0 C-N-CA 124.136 0.974 . . . . 0.0 110.388 -178.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.42 -32.79 84.63 Favored Glycine 0 CA--C 1.527 0.826 0 C-N-CA 124.006 0.812 . . . . 0.0 111.813 178.705 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.49 72.4 Favored 'General case' 0 C--O 1.224 -0.248 0 CA-C-N 117.88 0.84 . . . . 0.0 110.941 173.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -68.28 -39.31 82.18 Favored 'General case' 0 C--O 1.219 -0.504 0 CA-C-N 119.352 0.978 . . . . 0.0 109.398 170.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 t80 -66.15 -49.46 67.34 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 122.22 1.009 . . . . 0.0 112.257 -173.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.6 tp -72.39 -36.67 68.73 Favored 'General case' 0 N--CA 1.45 -0.461 0 N-CA-C 108.265 -1.013 . . . . 0.0 108.265 175.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.71 -71.28 0.97 Allowed Glycine 0 N--CA 1.463 0.489 0 CA-C-N 115.507 -0.77 . . . . 0.0 112.706 -160.733 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.5 t80 -61.07 -49.22 78.22 Favored 'General case' 0 CA--C 1.541 0.601 0 C-N-CA 125.045 1.338 . . . . 0.0 111.165 -178.316 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.54 -43.47 80.66 Favored 'General case' 0 CA--C 1.53 0.18 0 C-N-CA 125.898 1.679 . . . . 0.0 110.011 173.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.54 -31.26 73.49 Favored Glycine 0 CA--C 1.532 1.149 0 CA-C-N 119.314 0.961 . . . . 0.0 112.422 -177.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.24 -37.76 88.49 Favored 'General case' 0 CA--C 1.533 0.304 0 CA-C-N 118.962 1.381 . . . . 0.0 111.078 169.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.22 15.21 1.24 Allowed 'General case' 0 C--O 1.233 0.203 0 N-CA-C 113.52 0.934 . . . . 0.0 113.52 169.26 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.4 41.97 1.41 Allowed Glycine 0 CA--C 1.526 0.727 0 C-N-CA 125.199 1.38 . . . . 0.0 111.115 178.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.5 m -69.43 -13.23 62.25 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.515 1.126 . . . . 0.0 112.712 -178.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 5.4 t -90.16 143.97 26.29 Favored 'General case' 0 CA--C 1.532 0.286 0 C-N-CA 124.421 1.088 . . . . 0.0 109.351 169.22 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.7 t -43.94 -32.49 0.72 Allowed 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 C-N-CA 125.244 1.418 . . . . 0.0 112.085 159.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.71 39.59 1.54 Allowed Glycine 0 CA--C 1.532 1.129 0 C-N-CA 124.348 0.975 . . . . 0.0 113.278 179.229 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.94 176.96 10.94 Favored 'General case' 0 CA--C 1.534 0.332 0 C-N-CA 125.368 1.467 . . . . 0.0 109.943 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.11 69.0 Favored 'General case' 0 CA--C 1.536 0.425 0 C-N-CA 124.31 1.044 . . . . 0.0 113.287 -174.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 19.3 t -77.49 -9.57 58.98 Favored 'General case' 0 CA--C 1.541 0.606 0 CA-C-O 117.14 -1.41 . . . . 0.0 113.751 176.341 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.171 0 CA-C-O 117.831 -1.538 . . . . 0.0 112.823 -175.815 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.941 0 CA-C-O 118.619 -0.705 . . . . 0.0 109.099 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.1 t 66.27 -68.0 0.16 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 128.308 2.643 . . . . 0.0 113.784 166.545 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.13 -112.39 0.52 Allowed Glycine 0 C--N 1.335 0.483 0 N-CA-C 109.562 -1.415 . . . . 0.0 109.562 172.474 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.4 mm -56.82 -34.85 44.56 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 C-N-CA 124.137 0.975 . . . . 0.0 110.867 -174.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.74 -28.11 71.34 Favored Glycine 0 CA--C 1.527 0.816 0 CA-C-O 119.413 -0.659 . . . . 0.0 111.972 -178.244 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.3 -34.88 76.96 Favored 'General case' 0 C--O 1.224 -0.287 0 CA-C-N 117.892 0.846 . . . . 0.0 110.27 172.123 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.91 -39.89 83.5 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 118.863 0.756 . . . . 0.0 109.793 171.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -66.56 -49.47 66.33 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-O 122.117 0.961 . . . . 0.0 112.087 -171.066 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.4 tp -73.01 -36.96 67.12 Favored 'General case' 0 N--CA 1.448 -0.548 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 174.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.46 -74.92 1.23 Allowed Glycine 0 N--CA 1.462 0.391 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.034 -160.66 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -58.02 -49.08 78.1 Favored 'General case' 0 CA--C 1.54 0.568 0 C-N-CA 125.233 1.413 . . . . 0.0 111.207 -177.638 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -68.67 -48.21 64.54 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 126.042 1.737 . . . . 0.0 109.956 175.175 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.71 -28.57 73.03 Favored Glycine 0 CA--C 1.53 1.01 0 CA-C-N 119.097 0.862 . . . . 0.0 112.587 -173.714 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.1 -38.64 87.01 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.8 1.3 . . . . 0.0 111.156 169.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.97 15.27 1.51 Allowed 'General case' 0 C--N 1.34 0.185 0 N-CA-C 114.202 1.186 . . . . 0.0 114.202 170.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.12 35.22 1.08 Allowed Glycine 0 CA--C 1.53 0.996 0 C-N-CA 125.144 1.354 . . . . 0.0 112.192 -174.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 14.5 m -63.86 -37.81 88.76 Favored 'General case' 0 CA--C 1.532 0.272 0 C-N-CA 124.879 1.272 . . . . 0.0 110.164 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.0 m -73.62 88.7 1.7 Allowed 'General case' 0 CA--C 1.532 0.287 0 N-CA-C 106.976 -1.49 . . . . 0.0 106.976 161.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.1 m -43.46 122.17 0.52 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.44 0 C-N-CA 124.779 1.232 . . . . 0.0 110.206 172.558 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.39 -11.42 79.85 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 118.266 -1.297 . . . . 0.0 115.588 -156.445 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 50.64 15.24 0.21 Allowed 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 127.52 2.328 . . . . 0.0 116.206 173.275 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -66.08 -36.16 82.46 Favored 'General case' 0 CA--C 1.535 0.399 0 O-C-N 120.768 -1.208 . . . . 0.0 112.922 -168.615 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t -79.3 -9.6 59.62 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.922 1.289 . . . . 0.0 113.041 171.823 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.61 0 N-CA-C 106.511 -2.635 . . . . 0.0 106.511 -138.495 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.886 0 CA-C-O 118.095 -0.955 . . . . 0.0 109.062 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 41.0 t -134.18 -74.86 0.18 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.419 0 CA-C-N 118.521 0.601 . . . . 0.0 111.609 -171.707 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.5 -115.36 0.59 Allowed Glycine 0 C--N 1.339 0.743 0 C-N-CA 124.736 1.16 . . . . 0.0 111.015 -176.104 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -58.0 -33.41 46.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 C-N-CA 124.394 1.078 . . . . 0.0 110.478 -176.354 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.44 -32.16 78.51 Favored Glycine 0 CA--C 1.528 0.847 0 N-CA-C 111.775 -0.53 . . . . 0.0 111.775 -179.241 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -34.28 75.69 Favored 'General case' 0 N--CA 1.452 -0.34 0 CA-C-N 117.312 0.556 . . . . 0.0 110.27 174.426 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.6 mt -67.93 -40.43 83.32 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.619 0.645 . . . . 0.0 109.829 171.233 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 36.7 t80 -66.67 -49.49 65.97 Favored 'General case' 0 C--N 1.323 -0.547 0 C-N-CA 123.555 0.742 . . . . 0.0 111.706 -168.244 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.7 pp -80.51 -22.5 40.89 Favored 'General case' 0 N--CA 1.457 -0.085 0 CA-C-N 115.603 -0.726 . . . . 0.0 109.68 175.542 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.99 -80.23 1.46 Allowed Glycine 0 C--N 1.337 0.616 0 O-C-N 123.605 0.566 . . . . 0.0 112.542 -165.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -57.43 -48.99 77.68 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 125.796 1.638 . . . . 0.0 111.675 -177.737 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -67.67 -46.38 72.52 Favored 'General case' 0 CA--C 1.531 0.226 0 C-N-CA 126.024 1.73 . . . . 0.0 109.8 174.166 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -27.66 73.66 Favored Glycine 0 CA--C 1.533 1.203 0 CA-C-O 119.278 -0.734 . . . . 0.0 112.46 -174.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.56 -34.19 76.45 Favored 'General case' 0 CA--C 1.535 0.378 0 CA-C-N 118.912 1.356 . . . . 0.0 111.496 169.753 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 15.59 1.38 Allowed 'General case' 0 C--O 1.233 0.223 0 N-CA-C 113.94 1.089 . . . . 0.0 113.94 169.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.1 53.02 2.6 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 125.193 1.378 . . . . 0.0 111.133 -175.208 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 46.6 t -63.79 159.35 19.62 Favored 'General case' 0 CA--C 1.534 0.347 0 C-N-CA 123.556 0.742 . . . . 0.0 109.347 168.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 32.0 m -68.02 -21.93 65.0 Favored 'General case' 0 CA--C 1.538 0.519 0 O-C-N 121.786 -0.571 . . . . 0.0 110.732 178.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 60.0 t -43.85 -33.88 0.83 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 124.685 1.194 . . . . 0.0 112.306 161.465 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.05 11.02 69.84 Favored Glycine 0 CA--C 1.531 1.068 0 C-N-CA 125.509 1.528 . . . . 0.0 114.351 -178.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -70.57 46.97 0.09 Allowed 'General case' 0 CA--C 1.545 0.76 0 CA-C-N 119.863 1.831 . . . . 0.0 113.372 -177.301 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.77 -29.94 70.93 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.701 -1.25 . . . . 0.0 112.093 -179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -78.98 -9.66 59.59 Favored 'General case' 0 CA--C 1.538 0.499 0 C-N-CA 124.944 1.298 . . . . 0.0 112.997 171.362 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.927 0 CA-C-O 116.745 -2.142 . . . . 0.0 107.884 -138.817 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 116.675 -1.631 . . . . 0.0 108.813 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.8 t -118.91 -53.76 3.93 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.58 0 CA-C-N 120.367 1.44 . . . . 0.0 113.456 -161.268 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.34 -115.57 0.58 Allowed Glycine 0 C--N 1.341 0.856 0 CA-C-O 122.542 1.079 . . . . 0.0 110.632 176.765 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.5 mm -62.69 -31.19 51.31 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.483 0 C-N-CA 123.523 0.729 . . . . 0.0 109.717 178.149 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.33 -16.91 75.68 Favored Glycine 0 CA--C 1.529 0.918 0 C-N-CA 125.457 1.503 . . . . 0.0 113.245 176.169 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.75 -42.42 77.58 Favored 'General case' 0 C--N 1.342 0.275 0 CA-C-N 119.632 1.716 . . . . 0.0 109.682 162.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -66.84 -37.55 84.69 Favored 'General case' 0 C--O 1.219 -0.517 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 179.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 44.7 t80 -65.12 -49.76 68.71 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 122.174 0.988 . . . . 0.0 112.164 -173.211 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.3 tp -71.93 -36.6 69.97 Favored 'General case' 0 N--CA 1.45 -0.45 0 CA-C-N 114.518 -1.219 . . . . 0.0 108.168 176.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.88 -72.92 1.07 Allowed Glycine 0 C--O 1.226 -0.406 0 CA-C-N 114.89 -1.05 . . . . 0.0 112.178 -159.691 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.0 t80 -61.16 -49.17 78.31 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.38 1.472 . . . . 0.0 111.181 -178.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 5.8 tp -70.47 -40.95 73.36 Favored 'General case' 0 CA--C 1.532 0.284 0 C-N-CA 126.281 1.833 . . . . 0.0 110.211 176.646 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.6 -34.08 77.87 Favored Glycine 0 CA--C 1.532 1.155 0 CA-C-N 119.053 0.842 . . . . 0.0 111.851 179.458 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.97 -30.24 71.43 Favored 'General case' 0 CA--C 1.535 0.368 0 CA-C-N 118.731 1.266 . . . . 0.0 111.576 170.314 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.44 15.29 1.3 Allowed 'General case' 0 C--N 1.341 0.213 0 N-CA-C 113.712 1.005 . . . . 0.0 113.712 170.153 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.1 39.78 1.19 Allowed Glycine 0 CA--C 1.529 0.95 0 C-N-CA 125.479 1.514 . . . . 0.0 111.673 177.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.5 t -65.34 -32.64 74.39 Favored 'General case' 0 CA--C 1.535 0.398 0 C-N-CA 124.27 1.028 . . . . 0.0 110.375 171.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -89.9 133.79 34.57 Favored 'General case' 0 N--CA 1.454 -0.227 0 N-CA-C 107.969 -1.123 . . . . 0.0 107.969 161.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 62.9 t -43.93 -42.41 1.79 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.474 0 C-N-CA 124.876 1.27 . . . . 0.0 111.201 160.532 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.73 41.11 2.52 Favored Glycine 0 CA--C 1.529 0.954 0 C-N-CA 124.38 0.99 . . . . 0.0 112.824 -174.435 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.01 148.87 35.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.99 0.895 . . . . 0.0 110.013 176.44 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.29 -27.57 68.57 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 124.099 0.959 . . . . 0.0 112.742 -177.131 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.1 t -66.5 -9.96 39.84 Favored 'General case' 0 CA--C 1.542 0.654 0 CA-C-O 116.75 -1.595 . . . . 0.0 114.222 174.168 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.249 1.071 0 CA-C-O 117.049 -1.973 . . . . 0.0 110.288 -179.114 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.847 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.6 t -66.71 -15.93 20.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 126.908 2.083 . . . . 0.0 112.664 -170.309 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.19 -103.75 0.51 Allowed Glycine 0 CA--C 1.52 0.369 0 C-N-CA 125.797 1.665 . . . . 0.0 110.594 169.254 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 47.0 mm -56.97 -37.27 53.75 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.183 0 C-N-CA 124.719 1.208 . . . . 0.0 110.786 -173.563 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.79 -32.01 67.07 Favored Glycine 0 CA--C 1.527 0.791 0 N-CA-C 111.133 -0.787 . . . . 0.0 111.133 -178.146 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.29 -30.96 70.09 Favored 'General case' 0 N--CA 1.453 -0.279 0 CA-C-N 117.481 0.64 . . . . 0.0 111.324 174.305 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -67.46 -41.85 83.97 Favored 'General case' 0 C--O 1.221 -0.432 0 CA-C-N 119.642 1.11 . . . . 0.0 109.626 167.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 24.9 t80 -68.12 -49.59 60.16 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-O 121.131 0.491 . . . . 0.0 111.943 -168.75 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -80.55 -21.75 41.47 Favored 'General case' 0 N--CA 1.457 -0.113 0 CA-C-N 115.879 -0.6 . . . . 0.0 109.801 175.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.06 -81.17 1.54 Allowed Glycine 0 C--N 1.339 0.735 0 O-C-N 123.604 0.565 . . . . 0.0 111.888 -168.695 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 66.7 t80 -54.13 -49.01 70.16 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 125.345 1.458 . . . . 0.0 111.707 -177.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.1 tp -72.52 -49.39 33.12 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.283 1.833 . . . . 0.0 110.229 174.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -31.13 73.4 Favored Glycine 0 CA--C 1.53 1.007 0 CA-C-N 118.663 0.665 . . . . 0.0 112.579 -170.598 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -34.96 76.01 Favored 'General case' 0 CA--C 1.53 0.184 0 CA-C-N 118.36 1.08 . . . . 0.0 111.271 170.881 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.94 15.22 1.51 Allowed 'General case' 0 C--N 1.341 0.199 0 N-CA-C 113.848 1.055 . . . . 0.0 113.848 172.524 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.24 38.09 1.15 Allowed Glycine 0 CA--C 1.53 1.017 0 C-N-CA 124.566 1.079 . . . . 0.0 111.641 179.012 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.1 m -73.78 47.06 0.24 Allowed 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 127.225 2.21 . . . . 0.0 112.354 -177.77 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.1 t -74.13 -173.71 1.71 Allowed 'General case' 0 CA--C 1.542 0.656 0 C-N-CA 124.775 1.23 . . . . 0.0 110.165 170.584 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.4 m -43.62 -52.21 1.26 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.461 0 C-N-CA 125.078 1.351 . . . . 0.0 112.236 172.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.32 74.99 2.07 Favored Glycine 0 C--N 1.337 0.585 0 N-CA-C 108.543 -1.823 . . . . 0.0 108.543 167.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.77 108.37 0.99 Allowed 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.484 1.114 . . . . 0.0 111.938 -169.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.94 -28.22 69.38 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 123.652 0.781 . . . . 0.0 111.96 176.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.2 p -66.26 -19.48 65.83 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 125.054 1.342 . . . . 0.0 113.518 173.417 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.597 0 CA-C-O 118.208 -1.329 . . . . 0.0 110.222 -141.819 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.744 0 CA-C-O 117.722 -1.132 . . . . 0.0 107.998 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.9 t -139.92 -75.05 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.469 0.518 0 CA-C-N 118.7 0.682 . . . . 0.0 110.845 -172.057 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.52 -111.86 0.55 Allowed Glycine 0 C--N 1.339 0.702 0 C-N-CA 125.701 1.62 . . . . 0.0 111.025 175.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.2 mm -57.91 -33.61 46.37 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.424 0 C-N-CA 124.228 1.011 . . . . 0.0 110.467 -177.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -65.75 -32.25 82.36 Favored Glycine 0 CA--C 1.528 0.852 0 C-N-CA 123.972 0.796 . . . . 0.0 111.738 178.575 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.61 -32.83 72.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.678 0.739 . . . . 0.0 111.07 173.096 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.5 mt -67.91 -39.92 83.49 Favored 'General case' 0 C--O 1.218 -0.571 0 CA-C-N 119.376 0.989 . . . . 0.0 109.194 170.439 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.6 t80 -64.15 -49.36 72.44 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 122.41 1.1 . . . . 0.0 112.166 -172.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 tp -72.26 -37.72 69.03 Favored 'General case' 0 N--CA 1.45 -0.457 0 N-CA-C 108.245 -1.02 . . . . 0.0 108.245 174.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.49 -69.77 0.92 Allowed Glycine 0 C--O 1.224 -0.484 0 CA-C-N 115.221 -0.899 . . . . 0.0 112.742 -158.859 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -63.59 -49.24 74.11 Favored 'General case' 0 CA--C 1.54 0.593 0 C-N-CA 125.153 1.381 . . . . 0.0 111.176 -178.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.1 tp -66.6 -41.88 87.76 Favored 'General case' 0 CA--C 1.529 0.17 0 C-N-CA 126.103 1.761 . . . . 0.0 109.719 174.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -36.52 84.76 Favored Glycine 0 CA--C 1.534 1.249 0 C-N-CA 120.22 -0.99 . . . . 0.0 111.859 179.537 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.34 -38.18 88.51 Favored 'General case' 0 CA--C 1.531 0.239 0 CA-C-N 118.923 1.361 . . . . 0.0 111.084 170.342 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.62 15.26 0.51 Allowed 'General case' 0 CA--C 1.53 0.179 0 N-CA-C 114.304 1.224 . . . . 0.0 114.304 171.403 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.07 40.59 1.23 Allowed Glycine 0 CA--C 1.53 1.021 0 C-N-CA 125.177 1.37 . . . . 0.0 111.706 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 35.9 t -64.12 129.77 41.31 Favored 'General case' 0 N--CA 1.456 -0.173 0 N-CA-C 108.081 -1.081 . . . . 0.0 108.081 171.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 p -68.22 -21.37 64.85 Favored 'General case' 0 CA--C 1.533 0.303 0 C-N-CA 124.223 1.009 . . . . 0.0 112.714 -174.243 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.2 t -44.05 -49.57 1.91 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.527 0 C-N-CA 125.033 1.333 . . . . 0.0 111.876 159.083 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.44 -149.79 26.18 Favored Glycine 0 CA--C 1.526 0.759 0 C-N-CA 126.496 1.998 . . . . 0.0 111.045 -179.642 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 65.57 -57.15 0.32 Allowed 'General case' 0 CA--C 1.531 0.245 0 C-N-CA 128.561 2.744 . . . . 0.0 112.731 -178.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.98 -42.03 98.68 Favored 'General case' 0 CA--C 1.536 0.405 0 C-N-CA 123.763 0.825 . . . . 0.0 111.323 177.393 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 p -78.77 -10.08 59.66 Favored 'General case' 0 CA--C 1.535 0.381 0 C-N-CA 126.518 1.927 . . . . 0.0 113.695 171.062 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.473 0 N-CA-C 106.46 -2.656 . . . . 0.0 106.46 -138.505 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 118.789 -0.624 . . . . 0.0 110.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.436 HG23 ' H ' ' A' ' 2' ' ' VAL . 3.0 t -33.87 -19.77 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.48 1.065 1 C-N-CA 135.221 5.408 . . . . 0.0 118.096 -166.808 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.79 -104.42 0.47 Allowed Glycine 0 CA--C 1.524 0.639 0 N-CA-C 109.734 -1.347 . . . . 0.0 109.734 164.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -55.48 -36.68 42.35 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.34 0 C-N-CA 124.331 1.052 . . . . 0.0 111.291 -174.52 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.53 -30.18 69.11 Favored Glycine 0 C--N 1.339 0.721 0 CA-C-O 119.491 -0.616 . . . . 0.0 111.565 -178.283 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.2 -34.26 75.95 Favored 'General case' 0 N--CA 1.453 -0.309 0 CA-C-N 117.638 0.719 . . . . 0.0 110.543 173.635 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.5 -40.6 85.19 Favored 'General case' 0 C--O 1.219 -0.503 0 CA-C-N 118.949 0.795 . . . . 0.0 109.882 170.326 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -67.41 -49.49 63.57 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 122.165 0.983 . . . . 0.0 112.207 -170.636 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.4 tp -72.19 -35.9 69.07 Favored 'General case' 0 N--CA 1.448 -0.549 0 N-CA-C 108.106 -1.072 . . . . 0.0 108.106 174.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.97 -74.55 1.15 Allowed Glycine 0 N--CA 1.463 0.452 0 CA-C-N 115.939 -0.573 . . . . 0.0 112.295 -160.559 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.7 t80 -58.51 -48.95 79.12 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.005 1.322 . . . . 0.0 111.369 -177.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.2 tp -67.74 -47.36 69.5 Favored 'General case' 0 CA--C 1.53 0.186 0 C-N-CA 126.294 1.838 . . . . 0.0 110.03 173.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.57 -27.33 73.88 Favored Glycine 0 CA--C 1.531 1.073 0 CA-C-N 119.286 0.948 . . . . 0.0 112.476 -174.434 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.28 -30.76 70.68 Favored 'General case' 0 CA--C 1.536 0.408 0 CA-C-N 118.752 1.276 . . . . 0.0 111.836 169.601 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.01 15.18 1.55 Allowed 'General case' 0 C--N 1.342 0.251 0 N-CA-C 114.043 1.127 . . . . 0.0 114.043 171.001 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.2 45.08 1.69 Allowed Glycine 0 CA--C 1.53 0.989 0 C-N-CA 125.31 1.433 . . . . 0.0 111.092 177.238 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 12.7 t -68.51 -35.8 78.0 Favored 'General case' 0 CA--C 1.537 0.447 0 C-N-CA 124.981 1.312 . . . . 0.0 110.171 172.354 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 t -90.05 162.38 15.37 Favored 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.291 0.636 . . . . 0.0 109.568 167.104 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.0 m -43.91 133.96 1.34 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.398 0 C-N-CA 125.512 1.525 . . . . 0.0 111.972 170.531 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -93.71 146.89 18.35 Favored Glycine 0 CA--C 1.527 0.794 0 N-CA-C 109.653 -1.379 . . . . 0.0 109.653 170.49 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.27 96.01 1.78 Allowed 'General case' 0 CA--C 1.533 0.323 0 N-CA-C 109.04 -0.726 . . . . 0.0 109.04 175.12 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -28.19 69.03 Favored 'General case' 0 CA--C 1.535 0.38 0 C-N-CA 123.571 0.748 . . . . 0.0 112.354 -177.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 8.1 p -69.73 -16.05 63.26 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.788 1.635 . . . . 0.0 113.77 173.656 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.922 0 CA-C-O 116.566 -2.241 . . . . 0.0 109.805 -141.671 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.883 0 CA-C-O 116.826 -1.559 . . . . 0.0 108.82 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 t -118.75 -53.5 3.98 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 120.17 1.35 . . . . 0.0 113.362 -160.199 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -115.66 0.57 Allowed Glycine 0 C--N 1.341 0.846 0 CA-C-O 122.56 1.089 . . . . 0.0 110.619 176.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.7 mm -62.49 -31.26 51.29 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.536 0 CA-C-O 121.605 0.717 . . . . 0.0 109.749 178.261 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.28 -16.88 75.58 Favored Glycine 0 CA--C 1.529 0.916 0 C-N-CA 126.187 1.851 . . . . 0.0 113.148 176.441 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.82 -45.95 69.85 Favored 'General case' 0 C--O 1.224 -0.264 0 CA-C-N 119.467 1.634 . . . . 0.0 109.513 162.059 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.6 mt -64.4 -38.01 89.54 Favored 'General case' 0 C--O 1.221 -0.445 0 C-N-CA 123.419 0.688 . . . . 0.0 109.764 -177.259 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.5 t80 -60.49 -49.06 79.06 Favored 'General case' 0 C--N 1.324 -0.514 0 C-N-CA 125.339 1.456 . . . . 0.0 112.532 -175.371 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -76.3 -38.55 55.91 Favored 'General case' 0 N--CA 1.45 -0.447 0 CA-C-N 114.694 -1.139 . . . . 0.0 108.106 176.547 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.28 -67.47 0.9 Allowed Glycine 0 CA--C 1.52 0.378 0 CA-C-N 114.848 -1.069 . . . . 0.0 112.662 -157.357 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 56.9 t80 -67.07 -49.19 65.91 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 124.925 1.29 . . . . 0.0 110.618 -177.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.7 tp -63.9 -42.98 97.3 Favored 'General case' 0 CA--C 1.529 0.171 0 C-N-CA 125.702 1.601 . . . . 0.0 109.808 173.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -35.37 81.28 Favored Glycine 0 CA--C 1.533 1.215 0 CA-C-O 119.034 -0.87 . . . . 0.0 112.263 179.658 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.32 -39.5 93.24 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.232 1.516 . . . . 0.0 110.818 170.112 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -77.45 15.78 0.73 Allowed 'General case' 0 N--CA 1.462 0.144 0 N-CA-C 114.379 1.251 . . . . 0.0 114.379 169.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.24 52.58 2.61 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 124.574 1.083 . . . . 0.0 110.418 -177.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.3 p -64.07 143.79 57.6 Favored 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 123.142 0.577 . . . . 0.0 110.302 178.538 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.9 t -68.47 -48.76 63.64 Favored 'General case' 0 CA--C 1.537 0.45 0 N-CA-C 109.478 -0.564 . . . . 0.0 109.478 175.706 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 28.7 m -44.13 114.41 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.454 0 C-N-CA 123.432 0.693 . . . . 0.0 111.299 154.234 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.41 -175.61 37.31 Favored Glycine 0 CA--C 1.529 0.938 0 C-N-CA 124.912 1.244 . . . . 0.0 110.007 164.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.59 -176.28 4.17 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 125.591 1.556 . . . . 0.0 110.226 178.334 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.37 -28.16 69.04 Favored 'General case' 0 CA--C 1.537 0.451 0 C-N-CA 123.389 0.676 . . . . 0.0 111.902 177.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.0 t -76.76 -9.99 59.06 Favored 'General case' 0 CA--C 1.539 0.558 0 CA-C-O 117.046 -1.454 . . . . 0.0 113.623 175.339 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.231 0 CA-C-O 117.145 -1.919 . . . . 0.0 109.765 -169.609 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.911 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.5 t 66.41 -70.22 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 C-N-CA 128.5 2.72 . . . . 0.0 113.396 165.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.18 -112.8 0.52 Allowed Glycine 0 C--N 1.335 0.492 0 N-CA-C 109.289 -1.524 . . . . 0.0 109.289 172.213 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.2 mm -56.72 -35.57 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 C-N-CA 124.049 0.94 . . . . 0.0 110.78 -174.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.92 -27.88 71.51 Favored Glycine 0 CA--C 1.527 0.837 0 CA-C-O 119.362 -0.688 . . . . 0.0 111.931 -177.601 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.32 -34.42 76.08 Favored 'General case' 0 C--O 1.223 -0.322 0 CA-C-N 117.842 0.821 . . . . 0.0 110.237 171.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.22 -41.4 81.35 Favored 'General case' 0 C--O 1.22 -0.498 0 CA-C-N 119.033 0.833 . . . . 0.0 109.947 171.514 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 27.5 t80 -65.74 -49.51 68.18 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 122.363 1.077 . . . . 0.0 112.285 -168.532 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 tp -76.66 -38.01 55.29 Favored 'General case' 0 N--CA 1.446 -0.659 0 N-CA-C 107.644 -1.243 . . . . 0.0 107.644 174.492 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -94.24 -71.73 1.15 Allowed Glycine 0 C--O 1.224 -0.488 0 C-N-CA 120.609 -0.805 . . . . 0.0 111.854 -160.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -62.58 -49.24 76.01 Favored 'General case' 0 CA--C 1.539 0.552 0 C-N-CA 123.974 0.91 . . . . 0.0 111.614 -177.247 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -65.87 -45.13 83.22 Favored 'General case' 0 C--O 1.226 -0.156 0 C-N-CA 126.164 1.786 . . . . 0.0 109.759 176.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.67 -35.96 81.77 Favored Glycine 0 CA--C 1.532 1.114 0 CA-C-O 119.087 -0.841 . . . . 0.0 112.026 -179.072 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.95 -42.23 98.88 Favored 'General case' 0 CA--C 1.532 0.271 0 CA-C-N 118.997 1.398 . . . . 0.0 110.629 170.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.91 15.15 1.15 Allowed 'General case' 0 C--O 1.238 0.452 0 N-CA-C 114.001 1.112 . . . . 0.0 114.001 171.352 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.49 43.76 1.61 Allowed Glycine 0 CA--C 1.527 0.782 0 C-N-CA 127.813 2.625 . . . . 0.0 112.649 -166.408 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.7 p -63.73 48.82 0.02 OUTLIER 'General case' 0 CA--C 1.542 0.643 1 C-N-CA 134.129 4.972 . . . . 0.0 112.945 -172.687 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 3.4 m -74.62 112.4 10.78 Favored 'General case' 0 N--CA 1.447 -0.583 0 C-N-CA 127.641 2.376 . . . . 0.0 107.908 -175.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 38.8 t -43.77 -47.93 1.86 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 125.663 1.585 . . . . 0.0 112.367 179.16 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.36 146.88 18.4 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 110.249 -1.141 . . . . 0.0 110.249 170.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -72.53 69.77 0.88 Allowed 'General case' 0 CA--C 1.539 0.533 0 C-N-CA 124.606 1.162 . . . . 0.0 111.085 176.909 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.56 -28.12 69.11 Favored 'General case' 0 CA--C 1.536 0.408 0 C-N-CA 124.657 1.183 . . . . 0.0 112.102 -178.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.6 p -65.13 -17.98 64.92 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 126.293 1.837 . . . . 0.0 114.003 172.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 CA-C-O 116.477 -2.291 . . . . 0.0 109.698 -141.259 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.934 0 N-CA-C 108.775 -0.824 . . . . 0.0 108.775 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 26.0 t 68.07 -68.22 0.17 Allowed 'Isoleucine or valine' 0 N--CA 1.469 0.519 0 C-N-CA 128.179 2.592 . . . . 0.0 113.521 165.418 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.21 -112.89 0.53 Allowed Glycine 0 C--N 1.336 0.557 0 N-CA-C 109.431 -1.468 . . . . 0.0 109.431 172.574 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.5 mm -57.95 -34.19 48.04 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 C-N-CA 123.844 0.858 . . . . 0.0 110.788 -175.69 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -26.83 73.34 Favored Glycine 0 CA--C 1.528 0.87 0 CA-C-O 119.241 -0.755 . . . . 0.0 112.0 -178.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.44 -33.79 74.83 Favored 'General case' 0 C--O 1.223 -0.317 0 CA-C-N 118.201 1.001 . . . . 0.0 110.494 171.109 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.3 mt -68.17 -39.65 82.52 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.136 0.88 . . . . 0.0 109.85 171.626 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.15 -49.58 64.26 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-O 122.163 0.982 . . . . 0.0 112.236 -171.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.8 tp -73.83 -36.64 64.94 Favored 'General case' 0 N--CA 1.447 -0.589 0 N-CA-C 108.089 -1.078 . . . . 0.0 108.089 174.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -98.3 -72.83 1.08 Allowed Glycine 0 N--CA 1.462 0.406 0 C-N-CA 121.119 -0.562 . . . . 0.0 112.219 -160.535 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 51.6 t80 -59.38 -48.97 79.61 Favored 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 124.447 1.099 . . . . 0.0 111.347 -177.527 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.1 tp -66.97 -47.36 71.83 Favored 'General case' 0 CA--C 1.53 0.204 0 C-N-CA 126.066 1.747 . . . . 0.0 110.106 173.631 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.69 -25.95 74.77 Favored Glycine 0 CA--C 1.532 1.099 0 CA-C-O 119.008 -0.884 . . . . 0.0 113.038 -175.572 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.24 -37.28 82.5 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 119.107 1.454 . . . . 0.0 111.032 169.148 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.9 15.52 1.42 Allowed 'General case' 0 C--O 1.232 0.176 0 N-CA-C 113.943 1.09 . . . . 0.0 113.943 169.353 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.83 22.3 1.47 Allowed Glycine 0 CA--C 1.531 1.037 0 C-N-CA 124.583 1.087 . . . . 0.0 112.674 -170.066 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 33.1 t -86.33 -3.9 59.07 Favored 'General case' 0 CA--C 1.54 0.581 0 CA-C-O 118.345 -0.835 . . . . 0.0 111.743 156.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.417 HG23 ' H ' ' A' ' 19' ' ' VAL . 12.8 t -70.13 -59.17 3.05 Favored 'General case' 0 CA--C 1.536 0.42 0 CA-C-N 119.32 0.964 . . . . 0.0 109.701 179.428 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.417 ' H ' HG23 ' A' ' 18' ' ' THR . 18.0 m -44.13 130.64 1.47 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 123.464 0.706 . . . . 0.0 110.342 151.073 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.86 112.9 3.98 Favored Glycine 0 CA--C 1.526 0.728 0 N-CA-C 107.549 -2.221 . . . . 0.0 107.549 163.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.86 -174.36 3.64 Favored 'General case' 0 CA--C 1.536 0.423 0 C-N-CA 125.644 1.578 . . . . 0.0 110.77 -169.576 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -28.4 69.17 Favored 'General case' 0 CA--C 1.537 0.446 0 O-C-N 121.331 -0.856 . . . . 0.0 111.881 178.529 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.9 m -73.13 -12.78 61.02 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 124.609 1.163 . . . . 0.0 113.762 175.222 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.965 0 N-CA-C 108.842 -1.703 . . . . 0.0 108.842 -167.922 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.814 0 CA-C-O 117.588 -1.196 . . . . 0.0 108.171 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.3 t -137.91 -74.51 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.55 0 CA-C-N 119.001 0.818 . . . . 0.0 111.561 -171.673 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.5 -113.25 0.56 Allowed Glycine 0 C--N 1.34 0.775 0 C-N-CA 125.117 1.342 . . . . 0.0 111.122 178.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -58.65 -33.31 48.42 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.37 0 C-N-CA 123.992 0.917 . . . . 0.0 110.35 -178.271 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.27 -31.55 79.42 Favored Glycine 0 CA--C 1.527 0.817 0 C-N-CA 123.783 0.706 . . . . 0.0 111.721 178.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.69 -32.06 71.61 Favored 'General case' 0 N--CA 1.453 -0.297 0 CA-C-N 117.881 0.841 . . . . 0.0 111.117 173.066 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -68.17 -41.4 81.55 Favored 'General case' 0 C--O 1.219 -0.508 0 CA-C-N 119.224 0.92 . . . . 0.0 109.437 169.526 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 7.4 t80 -65.22 -49.45 69.64 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 122.341 1.067 . . . . 0.0 112.164 -170.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.9 tp -72.5 -40.42 66.88 Favored 'General case' 0 N--CA 1.444 -0.76 0 N-CA-C 107.703 -1.221 . . . . 0.0 107.703 174.37 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.02 -70.92 1.04 Allowed Glycine 0 N--CA 1.462 0.408 0 CA-C-N 115.41 -0.814 . . . . 0.0 112.14 -157.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -60.62 -49.2 78.47 Favored 'General case' 0 CA--C 1.541 0.599 0 C-N-CA 124.504 1.122 . . . . 0.0 111.276 -178.764 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.6 tp -66.83 -46.01 76.45 Favored 'General case' 0 N--CA 1.456 -0.163 0 C-N-CA 126.211 1.805 . . . . 0.0 109.876 175.243 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.64 -32.86 75.1 Favored Glycine 0 CA--C 1.531 1.048 0 CA-C-N 119.405 1.002 . . . . 0.0 112.493 -177.415 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.25 -41.29 96.64 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 119.119 1.46 . . . . 0.0 110.763 170.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.77 15.45 1.39 Allowed 'General case' 0 C--O 1.233 0.228 0 N-CA-C 114.307 1.225 . . . . 0.0 114.307 169.85 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.19 28.65 1.16 Allowed Glycine 0 CA--C 1.527 0.817 0 C-N-CA 124.85 1.214 . . . . 0.0 112.212 -170.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 8.0 m -66.49 -19.79 65.87 Favored 'General case' 0 CA--C 1.536 0.414 0 C-N-CA 125.177 1.391 . . . . 0.0 112.866 -175.449 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.8 p -89.94 -63.64 1.25 Allowed 'General case' 0 CA--C 1.533 0.302 0 C-N-CA 125.969 1.708 . . . . 0.0 111.003 -177.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 27.3 m -43.83 151.23 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.404 0 C-N-CA 126.765 2.026 . . . . 0.0 113.428 177.577 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.6 35.72 0.84 Allowed Glycine 0 CA--C 1.533 1.195 0 C-N-CA 124.761 1.172 . . . . 0.0 112.966 170.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -139.95 21.36 2.47 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 127.165 2.186 . . . . 0.0 110.497 -179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.6 -28.37 69.31 Favored 'General case' 0 CA--C 1.537 0.463 0 O-C-N 121.24 -0.913 . . . . 0.0 112.507 -177.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -78.92 -9.55 59.54 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 124.967 1.307 . . . . 0.0 113.078 173.225 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.475 0 N-CA-C 107.622 -2.191 . . . . 0.0 107.622 -138.974 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.81 0 CA-C-O 117.663 -1.161 . . . . 0.0 108.129 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.6 t -140.29 -70.83 0.13 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 CA-C-N 118.779 0.718 . . . . 0.0 111.134 -173.342 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.49 -112.12 0.55 Allowed Glycine 0 C--N 1.34 0.754 0 C-N-CA 125.286 1.422 . . . . 0.0 110.855 176.607 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.5 mm -58.29 -33.18 46.7 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.442 0 C-N-CA 124.104 0.962 . . . . 0.0 110.553 -177.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.16 -32.64 82.87 Favored Glycine 0 CA--C 1.527 0.811 0 C-N-CA 123.92 0.771 . . . . 0.0 111.686 178.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.66 -32.23 71.92 Favored 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 117.828 0.814 . . . . 0.0 111.058 173.608 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.8 mt -67.77 -39.89 84.07 Favored 'General case' 0 C--O 1.218 -0.563 0 CA-C-N 119.233 0.924 . . . . 0.0 109.048 170.068 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 t80 -64.97 -49.46 70.2 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 122.315 1.055 . . . . 0.0 112.198 -173.012 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 8.7 tp -71.38 -36.78 71.55 Favored 'General case' 0 N--CA 1.45 -0.457 0 CA-C-N 114.924 -1.035 . . . . 0.0 108.27 175.25 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.64 -71.78 0.96 Allowed Glycine 0 N--CA 1.463 0.441 0 CA-C-N 115.3 -0.864 . . . . 0.0 112.68 -159.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 60.0 t80 -61.49 -49.24 77.57 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 125.119 1.368 . . . . 0.0 111.187 -178.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 7.2 tp -67.58 -42.18 82.96 Favored 'General case' 0 CA--C 1.529 0.172 0 C-N-CA 126.193 1.797 . . . . 0.0 109.932 174.703 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -35.51 82.09 Favored Glycine 0 CA--C 1.533 1.19 0 CA-C-N 119.224 0.92 . . . . 0.0 112.095 -179.172 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.75 -41.99 98.39 Favored 'General case' 0 CA--C 1.532 0.267 0 CA-C-N 118.875 1.338 . . . . 0.0 110.738 170.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -78.44 15.44 0.99 Allowed 'General case' 0 C--O 1.233 0.229 0 N-CA-C 113.977 1.102 . . . . 0.0 113.977 171.122 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.17 29.71 1.14 Allowed Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.251 1.405 . . . . 0.0 112.503 -169.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.0 m -75.27 -67.15 0.68 Allowed 'General case' 0 CA--C 1.533 0.311 0 C-N-CA 124.663 1.185 . . . . 0.0 111.487 -168.055 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -90.63 -46.89 8.0 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 123.77 0.828 . . . . 0.0 111.889 -179.581 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 34.2 m -43.94 151.71 0.14 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.464 0 C-N-CA 125.847 1.659 . . . . 0.0 112.733 171.669 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -75.02 57.94 2.7 Favored Glycine 0 CA--C 1.531 1.033 0 C-N-CA 124.455 1.026 . . . . 0.0 112.317 176.658 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -66.62 109.6 2.88 Favored 'General case' 0 N--CA 1.453 -0.323 0 C-N-CA 124.121 0.969 . . . . 0.0 109.164 173.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.11 -27.82 68.65 Favored 'General case' 0 CA--C 1.536 0.435 0 C-N-CA 124.153 0.981 . . . . 0.0 112.308 -174.37 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 9.1 m -67.0 -10.03 45.31 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.453 1.501 . . . . 0.0 114.574 174.112 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.148 0 CA-C-O 117.079 -1.956 . . . . 0.0 110.922 -179.268 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.888 0 CA-C-O 119.295 -0.383 . . . . 0.0 110.269 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.46 HG23 ' H ' ' A' ' 2' ' ' VAL . 9.3 t -40.26 -16.36 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.478 0.952 1 C-N-CA 134.799 5.24 . . . . 0.0 117.188 -167.675 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.74 -103.41 0.47 Allowed Glycine 0 CA--C 1.523 0.582 0 N-CA-C 109.813 -1.315 . . . . 0.0 109.813 165.25 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -56.4 -37.15 49.67 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 C-N-CA 124.245 1.018 . . . . 0.0 111.134 -174.484 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.47 -32.05 71.38 Favored Glycine 0 C--N 1.338 0.689 0 N-CA-C 111.054 -0.818 . . . . 0.0 111.054 -177.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.25 -31.47 70.98 Favored 'General case' 0 N--CA 1.453 -0.281 0 CA-C-N 117.382 0.591 . . . . 0.0 111.174 175.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -67.81 -42.47 81.49 Favored 'General case' 0 C--O 1.221 -0.445 0 CA-C-N 119.356 0.98 . . . . 0.0 109.579 168.419 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -67.45 -49.7 62.51 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 121.041 0.448 . . . . 0.0 111.75 -167.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -83.32 -18.95 37.2 Favored 'General case' 0 N--CA 1.456 -0.163 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.192 176.517 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -81.29 1.55 Allowed Glycine 0 C--N 1.339 0.716 0 O-C-N 123.477 0.486 . . . . 0.0 112.086 -171.655 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 69.2 t80 -55.26 -49.02 73.14 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.503 1.521 . . . . 0.0 111.814 -176.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.0 tp -74.15 -47.48 35.64 Favored 'General case' 0 CA--C 1.528 0.107 0 C-N-CA 126.309 1.843 . . . . 0.0 110.022 173.388 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -25.55 74.72 Favored Glycine 0 CA--C 1.532 1.101 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.76 -170.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.26 -40.1 92.84 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.921 1.36 . . . . 0.0 111.153 168.259 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.13 14.79 1.73 Allowed 'General case' 0 C--O 1.233 0.187 0 C-N-CA 124.636 1.174 . . . . 0.0 113.995 169.203 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.23 33.18 1.11 Allowed Glycine 0 CA--C 1.526 0.772 0 C-N-CA 124.996 1.284 . . . . 0.0 111.664 -176.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 7.8 m -63.96 -27.93 69.47 Favored 'General case' 0 CA--C 1.534 0.339 0 C-N-CA 124.587 1.155 . . . . 0.0 112.154 -169.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.2 t -82.3 47.39 1.14 Allowed 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.684 1.594 . . . . 0.0 110.414 176.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 31.2 m -43.86 146.79 0.31 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.483 0 C-N-CA 124.97 1.308 . . . . 0.0 112.739 171.595 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -88.87 -57.16 1.85 Allowed Glycine 0 CA--C 1.526 0.724 0 C-N-CA 124.444 1.021 . . . . 0.0 110.793 175.564 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -146.55 -170.68 3.57 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 125.968 1.707 . . . . 0.0 109.544 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.26 -28.33 69.1 Favored 'General case' 0 CA--C 1.537 0.477 0 O-C-N 121.557 -0.714 . . . . 0.0 111.403 175.737 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 m -65.29 -15.46 62.54 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 125.775 1.63 . . . . 0.0 113.933 173.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.85 0 CA-C-O 117.586 -1.675 . . . . 0.0 108.966 -164.128 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.898 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.5 t -86.92 -18.5 8.45 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.643 0 C-N-CA 124.445 1.098 . . . . 0.0 112.062 -168.408 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -108.29 0.51 Allowed Glycine 0 CA--C 1.524 0.602 0 C-N-CA 125.68 1.61 . . . . 0.0 110.74 174.011 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -58.73 -33.91 50.38 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 C-N-CA 124.086 0.955 . . . . 0.0 110.64 -176.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -67.0 -33.01 82.48 Favored Glycine 0 CA--C 1.527 0.806 0 N-CA-C 111.498 -0.641 . . . . 0.0 111.498 -179.644 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -30.59 69.32 Favored 'General case' 0 N--CA 1.45 -0.447 0 C-N-CA 123.382 0.673 . . . . 0.0 111.032 175.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.1 mt -68.01 -41.71 81.82 Favored 'General case' 0 C--O 1.219 -0.513 0 CA-C-N 119.184 0.902 . . . . 0.0 109.295 167.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -66.7 -49.49 65.89 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.257 0.551 . . . . 0.0 111.918 -170.171 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.53 -23.45 42.86 Favored 'General case' 0 C--N 1.333 -0.109 0 CA-C-N 115.978 -0.555 . . . . 0.0 109.882 175.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.13 -79.14 1.37 Allowed Glycine 0 C--N 1.337 0.632 0 O-C-N 123.612 0.57 . . . . 0.0 112.671 -167.613 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 64.0 t80 -56.78 -49.04 76.5 Favored 'General case' 0 CA--C 1.54 0.589 0 C-N-CA 125.674 1.59 . . . . 0.0 111.809 -177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.2 tp -69.63 -42.84 73.77 Favored 'General case' 0 CA--C 1.532 0.256 0 C-N-CA 126.11 1.764 . . . . 0.0 109.965 174.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.3 -28.48 73.27 Favored Glycine 0 CA--C 1.535 1.288 0 CA-C-N 118.82 0.736 . . . . 0.0 112.043 -177.668 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.79 -26.91 68.55 Favored 'General case' 0 CA--C 1.536 0.421 0 CA-C-N 118.835 1.317 . . . . 0.0 112.103 169.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.83 15.56 1.38 Allowed 'General case' 0 C--O 1.238 0.496 0 N-CA-C 113.655 0.983 . . . . 0.0 113.655 169.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.82 57.13 2.63 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 127.766 2.603 . . . . 0.0 110.888 -167.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.2 p -85.67 -100.5 0.06 Allowed 'General case' 0 N--CA 1.446 -0.629 0 C-N-CA 129.656 3.182 . . . . 0.0 110.272 -172.62 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.3 t -90.53 -18.13 25.81 Favored 'General case' 0 CA--C 1.534 0.361 0 CA-C-O 118.468 -0.777 . . . . 0.0 113.078 177.405 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 26.8 m -44.28 154.96 0.09 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.697 1.199 . . . . 0.0 112.641 167.346 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.9 70.57 1.75 Allowed Glycine 0 CA--C 1.529 0.911 0 N-CA-C 110.227 -1.149 . . . . 0.0 110.227 168.524 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -58.99 124.72 20.85 Favored 'General case' 0 CA--C 1.532 0.274 0 C-N-CA 124.298 1.039 . . . . 0.0 109.841 178.203 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.68 -28.38 69.36 Favored 'General case' 0 CA--C 1.536 0.417 0 C-N-CA 123.602 0.761 . . . . 0.0 112.898 -174.589 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 4.9 p -71.64 -15.89 62.25 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 126.029 1.732 . . . . 0.0 113.664 174.057 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.612 0 CA-C-O 117.856 -1.525 . . . . 0.0 109.919 -140.0 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.784 0 CA-C-O 117.626 -1.178 . . . . 0.0 108.218 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.5 t -137.81 -75.24 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.533 0 CA-C-N 118.885 0.766 . . . . 0.0 111.403 -170.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.41 -113.27 0.55 Allowed Glycine 0 C--N 1.339 0.722 0 C-N-CA 125.303 1.43 . . . . 0.0 111.053 178.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.0 mm -57.67 -33.9 46.17 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.379 0 C-N-CA 124.228 1.011 . . . . 0.0 110.405 -178.053 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.68 -31.75 79.37 Favored Glycine 0 CA--C 1.527 0.809 0 C-N-CA 123.644 0.64 . . . . 0.0 111.709 179.631 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.56 -33.0 73.32 Favored 'General case' 0 N--CA 1.453 -0.298 0 CA-C-N 117.82 0.81 . . . . 0.0 110.737 173.572 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.4 mt -67.98 -40.45 83.13 Favored 'General case' 0 C--O 1.217 -0.607 0 CA-C-N 119.003 0.819 . . . . 0.0 109.32 170.449 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -66.1 -49.47 67.43 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-O 122.254 1.026 . . . . 0.0 112.092 -171.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.5 tp -72.33 -36.1 68.75 Favored 'General case' 0 N--CA 1.45 -0.429 0 N-CA-C 108.197 -1.038 . . . . 0.0 108.197 175.007 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.93 -73.14 1.05 Allowed Glycine 0 N--CA 1.462 0.422 0 CA-C-N 115.712 -0.676 . . . . 0.0 112.45 -160.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 71.8 t80 -60.07 -49.02 79.31 Favored 'General case' 0 CA--C 1.541 0.612 0 C-N-CA 125.084 1.354 . . . . 0.0 111.368 -178.419 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 9.5 tp -67.55 -43.26 81.11 Favored 'General case' 0 CA--C 1.532 0.264 0 C-N-CA 126.376 1.87 . . . . 0.0 110.175 173.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.48 -31.81 74.4 Favored Glycine 0 CA--C 1.532 1.148 0 CA-C-N 119.255 0.934 . . . . 0.0 112.194 -177.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.43 -32.51 73.96 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.829 1.314 . . . . 0.0 111.589 169.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.66 15.72 1.28 Allowed 'General case' 0 C--O 1.233 0.196 0 C-N-CA 124.676 1.19 . . . . 0.0 114.161 169.433 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.02 57.48 2.71 Favored Glycine 0 CA--C 1.528 0.859 0 C-N-CA 124.894 1.235 . . . . 0.0 110.668 -176.518 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 37.4 t -63.75 164.39 10.02 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 124.646 1.178 . . . . 0.0 110.453 174.069 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.5 t -67.94 150.15 48.87 Favored 'General case' 0 C--O 1.238 0.449 0 N-CA-C 107.104 -1.443 . . . . 0.0 107.104 153.383 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.0 m -44.1 141.29 0.63 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.389 0 CA-C-O 119.196 -0.43 . . . . 0.0 109.974 145.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.03 104.76 1.86 Allowed Glycine 0 CA--C 1.524 0.609 0 N-CA-C 109.082 -1.607 . . . . 0.0 109.082 173.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -85.21 -178.62 6.81 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 123.867 0.867 . . . . 0.0 109.63 171.251 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.46 -28.49 69.32 Favored 'General case' 0 CA--C 1.536 0.429 0 O-C-N 121.388 -0.82 . . . . 0.0 111.731 176.049 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.6 m -75.13 -12.27 60.27 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.672 1.189 . . . . 0.0 113.613 174.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.953 0 CA-C-O 116.48 -2.289 . . . . 0.0 110.305 -166.18 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.937 0 CA-C-O 118.334 -0.841 . . . . 0.0 109.391 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.71 -48.82 2.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.516 0 N-CA-C 113.007 0.743 . . . . 0.0 113.007 -162.555 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.37 -115.65 0.58 Allowed Glycine 0 C--N 1.341 0.854 0 CA-C-O 122.523 1.068 . . . . 0.0 110.595 178.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.3 mm -60.46 -31.86 49.79 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.399 0 C-N-CA 123.993 0.917 . . . . 0.0 110.163 -177.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.37 -28.64 72.33 Favored Glycine 0 CA--C 1.529 0.96 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.085 179.231 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.38 -32.88 73.27 Favored 'General case' 0 C--O 1.225 -0.223 0 CA-C-N 118.548 1.174 . . . . 0.0 110.478 171.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.1 mt -68.15 -39.83 82.55 Favored 'General case' 0 C--O 1.221 -0.411 0 CA-C-N 118.895 0.77 . . . . 0.0 109.257 170.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 34.5 t80 -67.58 -49.65 62.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 122.135 -0.353 . . . . 0.0 111.574 -171.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -80.16 -20.77 44.08 Favored 'General case' 0 C--O 1.227 -0.094 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.145 177.053 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -80.38 1.47 Allowed Glycine 0 N--CA 1.465 0.583 0 O-C-N 123.471 0.482 . . . . 0.0 112.696 -169.859 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.5 t80 -55.82 -48.85 74.71 Favored 'General case' 0 CA--C 1.54 0.567 0 C-N-CA 126.323 1.849 . . . . 0.0 111.559 -177.249 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.8 tp -73.36 -45.67 53.62 Favored 'General case' 0 CA--C 1.53 0.183 0 C-N-CA 126.113 1.765 . . . . 0.0 110.254 172.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.48 -23.26 75.21 Favored Glycine 0 CA--C 1.531 1.051 0 CA-C-N 119.168 0.895 . . . . 0.0 113.133 -172.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.77 -41.87 96.36 Favored 'General case' 0 CA--C 1.535 0.389 0 CA-C-N 118.961 1.381 . . . . 0.0 110.54 167.325 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.22 15.54 1.52 Allowed 'General case' 0 C--O 1.233 0.231 0 C-N-CA 125.374 1.469 . . . . 0.0 114.537 168.154 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.85 18.02 2.57 Favored Glycine 0 CA--C 1.532 1.096 0 CA-C-N 119.387 0.994 . . . . 0.0 113.126 -159.312 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.1 m -86.34 -13.07 47.6 Favored 'General case' 0 CA--C 1.538 0.513 0 C-N-CA 125.041 1.336 . . . . 0.0 112.996 161.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.597 HG23 ' H ' ' A' ' 19' ' ' VAL . 11.5 t -74.21 -70.17 0.41 Allowed 'General case' 0 CA--C 1.537 0.445 0 CA-C-N 119.469 1.031 . . . . 0.0 109.512 178.16 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.597 ' H ' HG23 ' A' ' 18' ' ' THR . 23.7 m -44.15 153.86 0.1 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.344 0 O-C-N 121.388 -0.82 . . . . 0.0 110.891 147.716 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.49 64.99 3.94 Favored Glycine 0 CA--C 1.526 0.759 0 N-CA-C 109.942 -1.263 . . . . 0.0 109.942 168.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 48.87 28.44 1.94 Allowed 'General case' 0 CA--C 1.542 0.654 0 C-N-CA 126.021 1.728 . . . . 0.0 114.098 -175.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.8 -28.48 69.49 Favored 'General case' 0 CA--C 1.537 0.467 0 O-C-N 121.059 -1.026 . . . . 0.0 112.146 -179.794 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.6 p -72.95 -15.08 61.57 Favored 'General case' 0 CA--C 1.534 0.362 0 C-N-CA 128.108 2.563 . . . . 0.0 114.139 171.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.259 1.659 0 N-CA-C 107.719 -2.152 . . . . 0.0 107.719 -138.591 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.903 0 CA-C-O 117.05 -1.452 . . . . 0.0 108.655 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 31.7 t -118.55 -47.3 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.502 0 CA-C-N 119.807 1.185 . . . . 0.0 112.784 -165.11 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.32 -115.9 0.58 Allowed Glycine 0 C--N 1.343 0.93 0 N-CA-C 110.401 -1.08 . . . . 0.0 110.401 175.537 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 38.0 mm -62.75 -34.24 64.5 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.475 0 CA-C-O 121.534 0.683 . . . . 0.0 109.85 -177.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.65 -14.53 75.21 Favored Glycine 0 CA--C 1.528 0.846 0 C-N-CA 125.758 1.647 . . . . 0.0 113.893 176.066 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -49.2 60.01 Favored 'General case' 0 C--O 1.224 -0.288 0 CA-C-N 120.004 1.902 . . . . 0.0 109.178 159.351 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -62.53 -35.98 81.13 Favored 'General case' 0 C--O 1.222 -0.38 0 C-N-CA 123.584 0.754 . . . . 0.0 110.289 -174.446 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 59.8 t80 -63.99 -49.47 72.34 Favored 'General case' 0 C--N 1.326 -0.415 0 C-N-CA 124.241 1.016 . . . . 0.0 112.257 -170.71 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.8 pp -84.02 -21.31 31.68 Favored 'General case' 0 C--N 1.333 -0.11 0 CA-C-N 115.406 -0.815 . . . . 0.0 110.248 174.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.51 -77.11 1.23 Allowed Glycine 0 C--O 1.224 -0.521 0 O-C-N 123.525 0.516 . . . . 0.0 111.931 -163.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -63.97 -49.28 73.14 Favored 'General case' 0 CA--C 1.538 0.519 0 C-N-CA 124.943 1.297 . . . . 0.0 111.176 -177.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.57 -44.56 86.37 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.723 1.609 . . . . 0.0 109.806 176.049 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.47 -36.73 84.47 Favored Glycine 0 CA--C 1.532 1.121 0 CA-C-O 119.211 -0.772 . . . . 0.0 111.919 -178.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.87 -38.33 87.87 Favored 'General case' 0 CA--C 1.531 0.226 0 CA-C-N 118.861 1.33 . . . . 0.0 110.959 170.431 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.1 15.38 1.16 Allowed 'General case' 0 CA--C 1.53 0.208 0 N-CA-C 114.037 1.125 . . . . 0.0 114.037 170.829 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.36 42.83 1.48 Allowed Glycine 0 CA--C 1.53 0.975 0 C-N-CA 125.371 1.462 . . . . 0.0 111.277 179.046 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.9 m -69.8 64.22 0.21 Allowed 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 127.633 2.373 . . . . 0.0 112.042 -174.654 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.1 t -69.06 169.38 11.96 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 124.474 1.109 . . . . 0.0 111.404 175.729 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 18.2 m -43.8 129.09 1.25 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.426 0 C-N-CA 125.83 1.652 . . . . 0.0 112.837 173.032 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.34 144.82 17.44 Favored Glycine 0 CA--C 1.526 0.734 0 N-CA-C 106.568 -2.613 . . . . 0.0 106.568 143.239 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -61.5 -15.89 42.28 Favored 'General case' 0 CA--C 1.54 0.572 0 CA-C-N 118.573 1.187 . . . . 0.0 114.177 -173.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -69.95 -29.02 66.05 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.34 0.656 . . . . 0.0 112.092 171.202 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 12.8 m -79.07 -42.24 26.85 Favored 'General case' 0 CA--C 1.532 0.276 0 C-N-CA 124.538 1.135 . . . . 0.0 111.441 174.103 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.252 1.254 0 CA-C-O 116.754 -2.137 . . . . 0.0 108.654 -173.356 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.769 0 CA-C-O 117.988 -1.006 . . . . 0.0 108.488 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.5 t -142.52 -76.6 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.512 0 O-C-N 123.678 0.611 . . . . 0.0 110.186 -174.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.66 -110.33 0.55 Allowed Glycine 0 C--N 1.338 0.665 0 C-N-CA 126.941 2.21 . . . . 0.0 111.417 175.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 34.2 mm -54.42 -35.58 31.54 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.478 0 C-N-CA 125.364 1.466 . . . . 0.0 111.091 -177.092 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -69.8 -30.57 70.37 Favored Glycine 0 CA--C 1.529 0.959 0 N-CA-C 111.89 -0.484 . . . . 0.0 111.89 -179.659 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -37.26 79.55 Favored 'General case' 0 N--CA 1.452 -0.347 0 CA-C-N 117.463 0.632 . . . . 0.0 110.666 171.324 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.9 mt -63.78 -41.42 97.95 Favored 'General case' 0 C--O 1.221 -0.415 0 CA-C-N 119.092 0.86 . . . . 0.0 109.776 173.474 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -62.1 -49.57 75.39 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 122.921 0.488 . . . . 0.0 111.424 -173.059 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -81.05 -24.1 38.09 Favored 'General case' 0 N--CA 1.464 0.27 0 C-N-CA 120.367 -0.533 . . . . 0.0 110.468 179.224 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.79 1.27 Allowed Glycine 0 C--O 1.225 -0.465 0 C-N-CA 123.822 0.725 . . . . 0.0 112.192 -166.034 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 73.4 t80 -60.62 -49.27 78.21 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 125.242 1.417 . . . . 0.0 111.511 -176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.1 tp -67.91 -42.79 80.57 Favored 'General case' 0 CA--C 1.53 0.185 0 C-N-CA 125.711 1.604 . . . . 0.0 109.807 175.099 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.33 -31.99 75.12 Favored Glycine 0 CA--C 1.534 1.247 0 CA-C-O 119.202 -0.776 . . . . 0.0 112.209 -177.813 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.65 -37.58 86.9 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-N 118.903 1.351 . . . . 0.0 111.059 169.64 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 15.7 1.25 Allowed 'General case' 0 C--O 1.233 0.199 0 C-N-CA 124.687 1.195 . . . . 0.0 113.966 169.298 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.24 50.95 2.44 Favored Glycine 0 CA--C 1.527 0.82 0 C-N-CA 125.28 1.419 . . . . 0.0 110.944 -176.44 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.7 m -67.49 60.59 0.06 Allowed 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.818 2.447 . . . . 0.0 112.273 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.4 p -68.43 86.52 0.29 Allowed 'General case' 0 CA--C 1.536 0.438 0 C-N-CA 125.06 1.344 . . . . 0.0 110.061 177.378 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.4 m -43.89 156.02 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.494 0 C-N-CA 126.064 1.746 . . . . 0.0 112.71 167.484 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -80.58 -178.44 52.1 Favored Glycine 0 CA--C 1.533 1.188 0 N-CA-C 110.877 -0.889 . . . . 0.0 110.877 164.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 95.74 94.72 0.01 OUTLIER 'General case' 0 N--CA 1.468 0.442 0 C-N-CA 129.927 3.291 . . . . 0.0 108.872 -177.721 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.18 -28.84 69.95 Favored 'General case' 0 CA--C 1.536 0.407 0 N-CA-C 113.573 0.953 . . . . 0.0 113.573 -169.172 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.1 t -78.88 -9.72 59.57 Favored 'General case' 0 CA--C 1.538 0.486 0 CA-C-O 118.018 -0.992 . . . . 0.0 112.942 175.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.475 0 N-CA-C 109.243 -1.543 . . . . 0.0 109.243 -140.573 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.922 0 CA-C-O 118.541 -0.742 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.7 t 64.9 -63.96 0.19 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.563 0 C-N-CA 128.418 2.687 . . . . 0.0 114.822 166.389 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.16 -111.48 0.51 Allowed Glycine 0 CA--C 1.522 0.525 0 N-CA-C 109.749 -1.34 . . . . 0.0 109.749 172.566 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.9 mm -57.21 -34.15 44.97 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.415 0 C-N-CA 124.069 0.948 . . . . 0.0 110.979 -175.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.17 -29.17 70.64 Favored Glycine 0 CA--C 1.528 0.849 0 CA-C-O 119.417 -0.657 . . . . 0.0 111.977 -179.452 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.78 74.76 Favored 'General case' 0 N--CA 1.453 -0.292 0 CA-C-N 117.951 0.875 . . . . 0.0 110.523 172.08 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -67.51 -40.06 85.13 Favored 'General case' 0 C--O 1.218 -0.589 0 CA-C-N 119.166 0.894 . . . . 0.0 109.434 171.494 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 9.5 t80 -65.53 -49.45 68.89 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 122.301 1.048 . . . . 0.0 112.197 -172.221 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 tp -71.64 -36.95 70.89 Favored 'General case' 0 N--CA 1.448 -0.542 0 N-CA-C 108.083 -1.08 . . . . 0.0 108.083 174.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.57 -70.91 0.96 Allowed Glycine 0 N--CA 1.463 0.435 0 CA-C-N 115.322 -0.853 . . . . 0.0 112.831 -159.159 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 58.6 t80 -62.45 -49.25 76.16 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 125.047 1.339 . . . . 0.0 111.169 -179.1 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.2 tp -67.41 -41.32 85.08 Favored 'General case' 0 CA--C 1.53 0.198 0 C-N-CA 126.266 1.827 . . . . 0.0 110.008 175.144 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.54 -36.55 83.73 Favored Glycine 0 CA--C 1.533 1.18 0 CA-C-N 119.067 0.848 . . . . 0.0 112.077 179.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.05 -40.96 97.52 Favored 'General case' 0 CA--C 1.533 0.295 0 CA-C-N 118.89 1.345 . . . . 0.0 110.624 170.339 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -74.53 15.7 0.33 Allowed 'General case' 0 CA--C 1.53 0.199 0 N-CA-C 114.401 1.26 . . . . 0.0 114.401 169.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.16 43.05 1.44 Allowed Glycine 0 CA--C 1.53 1.009 0 C-N-CA 125.414 1.483 . . . . 0.0 111.699 -176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 20.1 m -67.38 80.18 0.16 Allowed 'General case' 0 CA--C 1.536 0.421 0 C-N-CA 126.139 1.776 . . . . 0.0 111.161 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.0 t -68.01 159.15 31.31 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 124.317 1.047 . . . . 0.0 110.234 172.086 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 2.8 m -43.72 -42.02 1.61 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 C-N-CA 126.288 1.835 . . . . 0.0 113.719 161.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -86.11 -169.34 45.83 Favored Glycine 0 CA--C 1.526 0.771 0 C-N-CA 125.196 1.379 . . . . 0.0 113.17 -172.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -77.45 174.03 11.29 Favored 'General case' 0 CA--C 1.534 0.362 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 161.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -28.45 69.23 Favored 'General case' 0 CA--C 1.539 0.522 0 O-C-N 121.534 -0.729 . . . . 0.0 111.346 172.332 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.4 t -78.82 -10.26 59.73 Favored 'General case' 0 CA--C 1.538 0.517 0 CA-C-O 117.047 -1.454 . . . . 0.0 114.172 175.576 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.941 0 CA-C-O 116.747 -2.14 . . . . 0.0 110.938 -170.682 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.906 0 CA-C-O 117.441 -1.266 . . . . 0.0 108.704 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 25.2 t -118.08 -43.38 2.88 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.525 0 CA-C-N 119.501 1.046 . . . . 0.0 112.715 -164.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.42 -115.67 0.59 Allowed Glycine 0 C--N 1.341 0.846 0 CA-C-O 122.521 1.067 . . . . 0.0 110.467 174.367 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.2 mm -61.97 -34.79 64.78 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.821 0.82 . . . . 0.0 109.958 -178.108 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.58 -14.04 74.79 Favored Glycine 0 CA--C 1.529 0.957 0 CA-C-O 118.163 -1.354 . . . . 0.0 114.035 176.113 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.04 -43.47 74.62 Favored 'General case' 0 C--N 1.342 0.258 0 CA-C-N 120.15 1.975 . . . . 0.0 110.033 160.489 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -63.74 -36.89 85.35 Favored 'General case' 0 N--CA 1.465 0.299 0 C-N-CA 123.2 0.6 . . . . 0.0 109.483 -177.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -58.67 -49.7 76.58 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 123.597 0.759 . . . . 0.0 111.86 -177.427 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.2 pp -84.17 -24.48 30.15 Favored 'General case' 0 N--CA 1.464 0.248 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.913 -179.323 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.88 -78.12 1.3 Allowed Glycine 0 C--N 1.333 0.386 0 C-N-CA 124.102 0.858 . . . . 0.0 111.633 -166.637 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.2 t80 -59.87 -49.12 78.94 Favored 'General case' 0 CA--C 1.538 0.502 0 C-N-CA 125.28 1.432 . . . . 0.0 111.341 -175.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.57 -44.78 77.38 Favored 'General case' 0 CA--C 1.531 0.215 0 C-N-CA 125.531 1.532 . . . . 0.0 110.011 174.7 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.42 -30.82 73.4 Favored Glycine 0 CA--C 1.532 1.131 0 CA-C-O 119.239 -0.756 . . . . 0.0 112.112 -175.069 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.9 -36.74 82.21 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 118.8 1.3 . . . . 0.0 111.485 170.007 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 15.68 1.35 Allowed 'General case' 0 C--O 1.233 0.197 0 C-N-CA 124.574 1.15 . . . . 0.0 113.977 170.293 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.25 51.22 2.47 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 124.898 1.237 . . . . 0.0 111.035 -177.388 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 31.8 m -63.98 92.03 0.07 Allowed 'General case' 0 CA--C 1.531 0.244 0 C-N-CA 125.468 1.507 . . . . 0.0 111.216 178.754 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -67.94 138.27 55.83 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 125.216 1.407 . . . . 0.0 108.66 173.454 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 66.0 t -43.78 -44.18 1.83 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.505 0 C-N-CA 125.037 1.335 . . . . 0.0 111.187 168.097 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.82 101.74 1.58 Allowed Glycine 0 C--N 1.338 0.651 0 N-CA-C 107.733 -2.147 . . . . 0.0 107.733 167.176 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 61.0 80.57 0.21 Allowed 'General case' 0 CA--C 1.538 0.498 0 C-N-CA 127.513 2.325 . . . . 0.0 113.332 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.61 -28.5 69.41 Favored 'General case' 0 CA--C 1.535 0.394 0 C-N-CA 124.275 1.03 . . . . 0.0 113.157 -178.191 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 15.3 m -78.24 -10.71 59.77 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 125.171 1.388 . . . . 0.0 113.279 176.036 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.386 0 CA-C-O 118.298 -1.279 . . . . 0.0 110.079 -149.338 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.907 0 CA-C-O 117.079 -1.438 . . . . 0.0 108.746 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 43.1 t -118.89 -47.86 3.52 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.546 0 CA-C-N 119.88 1.218 . . . . 0.0 113.12 -161.287 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.27 -115.4 0.56 Allowed Glycine 0 C--N 1.339 0.741 0 N-CA-C 110.266 -1.134 . . . . 0.0 110.266 175.629 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.1 mm -60.47 -34.53 58.39 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 123.973 0.909 . . . . 0.0 109.895 179.939 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.56 -15.58 75.46 Favored Glycine 0 CA--C 1.529 0.928 0 C-N-CA 125.748 1.642 . . . . 0.0 114.024 176.694 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.08 -45.95 69.0 Favored 'General case' 0 C--N 1.341 0.216 0 CA-C-N 119.961 1.88 . . . . 0.0 109.838 160.247 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.2 mt -61.9 -35.24 77.78 Favored 'General case' 0 C--O 1.22 -0.457 0 C-N-CA 123.529 0.732 . . . . 0.0 109.647 -177.061 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -58.9 -49.75 76.61 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 123.494 0.718 . . . . 0.0 111.783 -178.642 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.5 pp -84.06 -23.77 30.71 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.561 -179.304 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.61 -74.26 1.06 Allowed Glycine 0 C--O 1.225 -0.411 0 C-N-CA 124.289 0.947 . . . . 0.0 111.872 -166.193 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 63.8 t80 -66.68 -49.38 66.33 Favored 'General case' 0 CA--C 1.539 0.528 0 C-N-CA 124.796 1.238 . . . . 0.0 111.154 -174.703 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -66.57 -42.69 86.64 Favored 'General case' 0 C--O 1.225 -0.213 0 C-N-CA 125.935 1.694 . . . . 0.0 109.559 174.698 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.38 -38.07 86.69 Favored Glycine 0 CA--C 1.532 1.103 0 CA-C-O 119.056 -0.858 . . . . 0.0 111.665 -177.623 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.47 -42.73 99.22 Favored 'General case' 0 CA--C 1.532 0.264 0 CA-C-N 118.953 1.377 . . . . 0.0 110.904 171.644 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.59 15.48 1.31 Allowed 'General case' 0 C--O 1.234 0.289 0 N-CA-C 114.14 1.163 . . . . 0.0 114.14 170.619 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.18 24.78 1.32 Allowed Glycine 0 CA--C 1.527 0.799 0 C-N-CA 124.523 1.059 . . . . 0.0 111.948 -169.6 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.7 m -64.04 -23.41 67.32 Favored 'General case' 0 CA--C 1.534 0.333 0 C-N-CA 124.443 1.097 . . . . 0.0 113.39 -164.501 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.7 t -90.65 -44.95 9.18 Favored 'General case' 0 CA--C 1.537 0.458 0 C-N-CA 123.759 0.824 . . . . 0.0 112.2 168.47 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 8.1 t -44.06 -55.82 0.85 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 126.965 2.106 . . . . 0.0 112.711 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.16 -175.1 37.7 Favored Glycine 0 CA--C 1.528 0.844 0 C-N-CA 125.761 1.648 . . . . 0.0 113.575 -168.552 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -164.07 -86.59 0.02 OUTLIER 'General case' 0 CA--C 1.536 0.44 0 C-N-CA 125.906 1.683 . . . . 0.0 109.157 172.748 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -71.31 -32.03 68.13 Favored 'General case' 0 CA--C 1.533 0.319 0 N-CA-C 113.627 0.973 . . . . 0.0 113.627 -166.268 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.2 t -79.04 -9.52 59.57 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.243 1.017 . . . . 0.0 112.532 173.572 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.723 0 N-CA-C 106.36 -2.696 . . . . 0.0 106.36 -138.471 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.87 0 N-CA-C 108.465 -0.939 . . . . 0.0 108.465 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 29.6 t 68.74 -72.52 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.466 0.355 0 C-N-CA 128.389 2.676 . . . . 0.0 112.822 165.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.1 -113.04 0.52 Allowed Glycine 0 C--N 1.335 0.486 0 N-CA-C 109.54 -1.424 . . . . 0.0 109.54 172.298 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.6 mm -56.33 -35.52 43.49 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.38 0 C-N-CA 124.47 1.108 . . . . 0.0 110.87 -175.745 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.89 -28.49 70.55 Favored Glycine 0 CA--C 1.528 0.862 0 CA-C-O 119.252 -0.749 . . . . 0.0 111.567 -177.578 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.46 -33.33 74.0 Favored 'General case' 0 C--O 1.224 -0.269 0 CA-C-N 118.149 0.974 . . . . 0.0 110.727 172.367 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.4 mt -67.86 -42.2 81.69 Favored 'General case' 0 C--O 1.221 -0.421 0 CA-C-N 118.972 0.805 . . . . 0.0 109.544 172.022 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -66.48 -49.64 65.96 Favored 'General case' 0 C--N 1.326 -0.454 0 N-CA-C 111.721 0.267 . . . . 0.0 111.721 -172.79 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.0 pp -81.62 -24.0 36.66 Favored 'General case' 0 C--O 1.227 -0.082 0 C-N-CA 120.494 -0.482 . . . . 0.0 109.91 179.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.11 -76.64 1.18 Allowed Glycine 0 C--N 1.336 0.576 0 O-C-N 123.688 0.617 . . . . 0.0 111.804 -167.997 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.9 t80 -60.03 -49.16 78.77 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.205 1.002 . . . . 0.0 111.608 -175.11 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -67.54 -44.97 77.04 Favored 'General case' 0 CA--C 1.529 0.166 0 C-N-CA 126.053 1.741 . . . . 0.0 109.855 174.531 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.51 75.99 Favored Glycine 0 CA--C 1.534 1.269 0 CA-C-O 119.325 -0.708 . . . . 0.0 112.222 -175.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.8 -37.76 88.0 Favored 'General case' 0 CA--C 1.533 0.306 0 CA-C-N 118.772 1.286 . . . . 0.0 110.968 170.455 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.31 15.22 1.27 Allowed 'General case' 0 C--N 1.34 0.189 0 N-CA-C 113.769 1.026 . . . . 0.0 113.769 170.473 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.18 42.85 1.43 Allowed Glycine 0 CA--C 1.527 0.808 0 C-N-CA 125.395 1.474 . . . . 0.0 111.328 -179.383 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 56.2 m -71.64 54.58 0.24 Allowed 'General case' 0 CA--C 1.542 0.638 0 C-N-CA 125.706 1.602 . . . . 0.0 111.371 175.056 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.4 t -75.01 127.73 33.92 Favored 'General case' 0 CA--C 1.535 0.401 0 C-N-CA 124.674 1.19 . . . . 0.0 110.971 -177.986 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.2 m -44.07 -61.59 0.35 Allowed 'Isoleucine or valine' 0 CA--C 1.541 0.624 0 C-N-CA 124.175 0.99 . . . . 0.0 113.399 152.845 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.72 165.48 24.59 Favored Glycine 0 CA--C 1.527 0.822 0 C-N-CA 125.3 1.429 . . . . 0.0 113.564 -169.842 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 55.65 23.92 6.61 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 125.634 1.574 . . . . 0.0 114.821 171.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.41 -28.52 69.85 Favored 'General case' 0 CA--C 1.539 0.547 0 O-C-N 121.002 -1.061 . . . . 0.0 112.72 -179.888 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 23.3 t -79.21 -9.52 59.59 Favored 'General case' 0 CA--C 1.538 0.51 0 C-N-CA 125.32 1.448 . . . . 0.0 113.225 172.412 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.257 1.548 0 N-CA-C 107.664 -2.175 . . . . 0.0 107.664 -138.72 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.873 0 CA-C-O 117.2 -1.381 . . . . 0.0 109.04 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.1 m -117.38 -57.9 3.5 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.457 0 N-CA-C 114.405 1.261 . . . . 0.0 114.405 -163.182 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.39 -113.67 0.55 Allowed Glycine 0 C--N 1.337 0.617 0 N-CA-C 110.328 -1.109 . . . . 0.0 110.328 175.171 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.0 mm -59.25 -37.06 66.79 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 C-N-CA 124.058 0.943 . . . . 0.0 109.938 -178.604 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.67 -15.77 75.77 Favored Glycine 0 CA--C 1.528 0.86 0 C-N-CA 125.008 1.29 . . . . 0.0 113.828 177.61 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -43.71 74.25 Favored 'General case' 0 C--N 1.341 0.217 0 CA-C-N 120.099 1.949 . . . . 0.0 109.788 161.677 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -63.11 -35.88 81.75 Favored 'General case' 0 C--O 1.223 -0.339 0 C-N-CA 123.451 0.7 . . . . 0.0 109.742 -177.618 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.9 m-30 -59.55 -49.8 76.38 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 122.871 0.468 . . . . 0.0 111.636 -177.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.0 pp -84.03 -20.83 32.06 Favored 'General case' 0 N--CA 1.464 0.259 0 CA-C-N 116.047 -0.524 . . . . 0.0 111.467 -179.84 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.92 -77.05 1.22 Allowed Glycine 0 C--O 1.226 -0.397 0 C-N-CA 124.486 1.041 . . . . 0.0 111.782 -167.807 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 54.9 t80 -64.6 -49.24 71.89 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.69 1.596 . . . . 0.0 111.059 -174.823 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.7 tp -69.11 -44.09 73.14 Favored 'General case' 0 CA--C 1.529 0.141 0 C-N-CA 125.85 1.66 . . . . 0.0 109.717 174.524 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.51 -35.94 82.54 Favored Glycine 0 CA--C 1.531 1.083 0 CA-C-O 119.191 -0.783 . . . . 0.0 111.89 -175.047 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.12 -40.68 94.71 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 118.816 1.308 . . . . 0.0 110.916 170.67 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.46 14.92 1.41 Allowed 'General case' 0 C--N 1.341 0.216 0 N-CA-C 114.014 1.116 . . . . 0.0 114.014 172.161 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.97 24.83 1.24 Allowed Glycine 0 CA--C 1.53 0.99 0 C-N-CA 125.207 1.384 . . . . 0.0 111.933 -177.934 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.5 m -73.26 -47.91 39.13 Favored 'General case' 0 N--CA 1.454 -0.249 0 C-N-CA 124.925 1.29 . . . . 0.0 109.949 176.566 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.9 p -90.56 -79.26 0.36 Allowed 'General case' 0 CA--C 1.533 0.309 0 C-N-CA 124.703 1.201 . . . . 0.0 109.546 174.819 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 17.9 m -43.93 117.75 0.27 Allowed 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 126.752 2.021 . . . . 0.0 112.478 173.39 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.65 88.14 0.74 Allowed Glycine 0 CA--C 1.526 0.729 0 N-CA-C 109.56 -1.416 . . . . 0.0 109.56 176.072 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -68.72 60.87 0.1 Allowed 'General case' 0 CA--C 1.545 0.778 0 C-N-CA 126.389 1.876 . . . . 0.0 112.703 -178.017 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.25 -28.0 68.86 Favored 'General case' 0 CA--C 1.534 0.351 0 C-N-CA 126.287 1.835 . . . . 0.0 113.267 -170.293 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 14.5 t -55.25 -46.29 76.07 Favored 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 124.72 1.208 . . . . 0.0 111.714 175.203 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.63 0 CA-C-O 118.284 -1.287 . . . . 0.0 111.257 -147.004 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 108.512 -0.922 . . . . 0.0 108.512 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 24.5 t 66.87 -71.61 0.12 Allowed 'Isoleucine or valine' 0 N--CA 1.468 0.467 0 C-N-CA 128.302 2.641 . . . . 0.0 113.23 165.642 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.19 -112.54 0.52 Allowed Glycine 0 C--N 1.336 0.531 0 N-CA-C 109.59 -1.404 . . . . 0.0 109.59 172.058 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.3 mm -55.41 -35.86 38.88 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.372 0 C-N-CA 124.815 1.246 . . . . 0.0 110.868 -175.249 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.81 -29.74 69.02 Favored Glycine 0 CA--C 1.529 0.921 0 CA-C-O 119.336 -0.702 . . . . 0.0 111.683 -177.912 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.48 -33.84 74.86 Favored 'General case' 0 C--O 1.223 -0.302 0 CA-C-N 117.987 0.893 . . . . 0.0 110.803 172.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.1 mt -67.34 -42.06 84.19 Favored 'General case' 0 C--O 1.221 -0.414 0 CA-C-N 118.876 0.762 . . . . 0.0 109.357 172.408 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.2 m-30 -66.35 -49.76 65.85 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.762 -0.199 . . . . 0.0 111.346 -173.412 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.1 pp -79.49 -23.72 42.79 Favored 'General case' 0 N--CA 1.46 0.072 0 C-N-CA 120.043 -0.663 . . . . 0.0 110.233 179.793 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.17 -79.75 1.42 Allowed Glycine 0 C--N 1.335 0.481 0 O-C-N 123.64 0.587 . . . . 0.0 111.997 -168.502 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 61.9 t80 -56.59 -49.12 75.85 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.217 1.407 . . . . 0.0 111.623 -175.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.7 tp -70.8 -47.07 61.42 Favored 'General case' 0 CA--C 1.53 0.176 0 C-N-CA 126.183 1.793 . . . . 0.0 110.044 173.411 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.62 -29.47 72.83 Favored Glycine 0 CA--C 1.531 1.063 0 CA-C-O 119.266 -0.741 . . . . 0.0 112.725 -171.166 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.23 -39.67 91.13 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.792 1.296 . . . . 0.0 110.953 169.524 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.82 15.43 1.41 Allowed 'General case' 0 C--O 1.232 0.17 0 C-N-CA 124.629 1.172 . . . . 0.0 113.774 170.488 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.06 28.24 1.14 Allowed Glycine 0 CA--C 1.53 1.026 0 C-N-CA 125.054 1.311 . . . . 0.0 111.779 -177.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.4 m -64.5 -19.96 65.91 Favored 'General case' 0 CA--C 1.536 0.41 0 C-N-CA 125.532 1.533 . . . . 0.0 112.0 178.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 21.1 m -78.62 51.02 1.02 Allowed 'General case' 0 CA--C 1.544 0.728 0 C-N-CA 124.921 1.288 . . . . 0.0 109.277 172.183 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -43.95 -52.93 1.27 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.337 0 C-N-CA 126.365 1.866 . . . . 0.0 112.841 172.092 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.15 164.32 24.69 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 124.903 1.24 . . . . 0.0 110.362 173.583 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 59.94 13.78 3.88 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.721 1.608 . . . . 0.0 113.992 -174.708 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.77 -32.75 73.04 Favored 'General case' 0 CA--C 1.536 0.437 0 O-C-N 121.075 -1.016 . . . . 0.0 112.355 -178.719 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.4 m -78.95 -9.8 59.62 Favored 'General case' 0 CA--C 1.536 0.411 0 C-N-CA 125.915 1.686 . . . . 0.0 113.445 173.339 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.248 0.981 0 N-CA-C 107.472 -2.251 . . . . 0.0 107.472 -138.886 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.84 0 CA-C-O 116.877 -1.535 . . . . 0.0 108.499 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.9 m -118.69 -60.0 2.79 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.422 0 CA-C-N 120.003 1.274 . . . . 0.0 114.38 -162.976 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.38 -114.71 0.56 Allowed Glycine 0 C--N 1.337 0.613 0 N-CA-C 109.923 -1.271 . . . . 0.0 109.923 175.208 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.3 mm -59.59 -36.44 65.13 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.444 0 C-N-CA 123.669 0.787 . . . . 0.0 110.009 -177.838 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.6 -15.69 75.59 Favored Glycine 0 CA--C 1.527 0.843 0 C-N-CA 125.417 1.485 . . . . 0.0 113.734 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -49.51 57.69 Favored 'General case' 0 C--N 1.341 0.205 0 CA-C-N 119.744 1.772 . . . . 0.0 109.196 160.117 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.2 mt -62.03 -35.38 78.42 Favored 'General case' 0 N--CA 1.468 0.465 0 C-N-CA 123.63 0.772 . . . . 0.0 110.516 -174.559 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 53.7 t80 -64.54 -49.59 70.65 Favored 'General case' 0 C--N 1.327 -0.407 0 C-N-CA 124.669 1.188 . . . . 0.0 112.222 -169.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.6 pp -84.52 -20.68 31.21 Favored 'General case' 0 C--N 1.333 -0.117 0 CA-C-N 115.596 -0.729 . . . . 0.0 110.91 173.14 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.49 -76.73 1.21 Allowed Glycine 0 C--O 1.224 -0.508 0 N-CA-C 111.979 -0.448 . . . . 0.0 111.979 -163.737 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 82.8 t80 -63.02 -49.27 75.3 Favored 'General case' 0 CA--C 1.537 0.473 0 C-N-CA 124.824 1.249 . . . . 0.0 110.949 -177.7 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 15.9 tp -65.13 -45.65 84.16 Favored 'General case' 0 CA--C 1.53 0.2 0 C-N-CA 125.177 1.391 . . . . 0.0 109.863 176.158 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.43 -36.09 83.27 Favored Glycine 0 CA--C 1.534 1.225 0 CA-C-O 119.149 -0.806 . . . . 0.0 112.23 -177.722 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.78 -40.86 98.63 Favored 'General case' 0 CA--C 1.532 0.254 0 CA-C-N 119.012 1.406 . . . . 0.0 110.767 170.731 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -76.36 15.64 0.57 Allowed 'General case' 0 C--N 1.339 0.152 0 N-CA-C 114.05 1.13 . . . . 0.0 114.05 170.171 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.19 41.36 1.31 Allowed Glycine 0 CA--C 1.528 0.848 0 C-N-CA 125.738 1.637 . . . . 0.0 112.426 -170.269 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 67.7 m -63.86 132.32 50.48 Favored 'General case' 0 CA--C 1.529 0.152 0 N-CA-C 106.984 -1.488 . . . . 0.0 106.984 161.811 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.1 p -68.22 -9.89 50.48 Favored 'General case' 0 CA--C 1.537 0.462 0 N-CA-C 114.151 1.167 . . . . 0.0 114.151 -163.05 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 49.5 t -43.9 -49.53 1.81 Allowed 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 124.572 1.149 . . . . 0.0 110.44 157.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.66 42.77 1.8 Allowed Glycine 0 CA--C 1.532 1.099 0 C-N-CA 126.051 1.786 . . . . 0.0 112.568 177.308 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -155.32 -48.09 0.08 Allowed 'General case' 0 N--CA 1.45 -0.449 0 C-N-CA 127.629 2.372 . . . . 0.0 106.999 166.599 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.99 -35.82 79.65 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 123.951 0.9 . . . . 0.0 112.294 177.307 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.3 t -78.32 -9.67 59.34 Favored 'General case' 0 CA--C 1.536 0.439 0 C-N-CA 125.125 1.37 . . . . 0.0 112.865 174.185 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.394 0 N-CA-C 108.979 -1.648 . . . . 0.0 108.979 -144.485 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.912 0 CA-C-O 117.078 -1.439 . . . . 0.0 108.573 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.5 t -117.8 -48.61 3.97 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.502 0 CA-C-N 119.792 1.178 . . . . 0.0 112.902 -163.34 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.33 -115.66 0.58 Allowed Glycine 0 C--N 1.341 0.856 0 N-CA-C 110.472 -1.051 . . . . 0.0 110.472 175.457 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 43.9 mm -61.16 -34.59 61.05 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.457 0 C-N-CA 123.682 0.793 . . . . 0.0 109.925 -178.531 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.53 -15.3 75.28 Favored Glycine 0 CA--C 1.527 0.824 0 C-N-CA 125.836 1.684 . . . . 0.0 113.704 176.991 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -69.01 -48.0 64.1 Favored 'General case' 0 C--N 1.341 0.231 0 CA-C-N 119.817 1.809 . . . . 0.0 109.522 160.212 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.6 mt -62.66 -35.26 79.07 Favored 'General case' 0 N--CA 1.466 0.365 0 C-N-CA 123.848 0.859 . . . . 0.0 110.003 -176.365 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 10.7 t80 -62.43 -49.32 75.94 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 124.656 1.182 . . . . 0.0 111.88 -173.583 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -83.88 -20.9 32.26 Favored 'General case' 0 C--N 1.333 -0.133 0 CA-C-N 115.679 -0.691 . . . . 0.0 110.495 175.742 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.81 -78.54 1.33 Allowed Glycine 0 C--N 1.335 0.482 0 O-C-N 123.623 0.577 . . . . 0.0 112.112 -165.02 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -61.24 -49.08 78.57 Favored 'General case' 0 CA--C 1.538 0.511 0 C-N-CA 125.821 1.649 . . . . 0.0 111.281 -177.764 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.7 tp -66.73 -43.73 83.42 Favored 'General case' 0 CA--C 1.532 0.251 0 C-N-CA 125.424 1.489 . . . . 0.0 109.873 175.529 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.31 -32.19 75.51 Favored Glycine 0 CA--C 1.534 1.274 0 CA-C-O 119.49 -0.617 . . . . 0.0 112.045 -178.474 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.53 -31.1 72.17 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-N 118.843 1.322 . . . . 0.0 111.669 170.114 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.71 15.59 1.33 Allowed 'General case' 0 C--O 1.235 0.294 0 C-N-CA 124.39 1.076 . . . . 0.0 113.825 170.061 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.99 46.44 1.79 Allowed Glycine 0 CA--C 1.529 0.942 0 C-N-CA 125.578 1.561 . . . . 0.0 111.599 -177.616 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 19.6 t -70.14 -54.29 13.58 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.445 1.098 . . . . 0.0 109.151 168.801 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 18.4 m -90.02 -79.55 0.34 Allowed 'General case' 0 CA--C 1.535 0.376 0 C-N-CA 123.571 0.748 . . . . 0.0 109.633 -179.337 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.7 m -44.03 134.98 1.31 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.345 0 C-N-CA 125.079 1.351 . . . . 0.0 112.386 168.13 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.3 169.74 28.03 Favored Glycine 0 CA--C 1.531 1.039 0 N-CA-C 109.234 -1.546 . . . . 0.0 109.234 154.766 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -134.91 -173.54 3.34 Favored 'General case' 0 CA--C 1.538 0.509 0 C-N-CA 126.048 1.739 . . . . 0.0 109.968 177.018 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.34 -28.31 69.12 Favored 'General case' 0 CA--C 1.537 0.464 0 O-C-N 121.059 -1.026 . . . . 0.0 112.533 -178.616 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.3 t -76.93 -9.87 58.98 Favored 'General case' 0 CA--C 1.539 0.526 0 CA-C-O 117.74 -1.124 . . . . 0.0 113.316 175.524 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.893 0 N-CA-C 107.603 -2.199 . . . . 0.0 107.603 -159.074 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.888 0 N-CA-C 108.572 -0.899 . . . . 0.0 108.572 . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 40.9 t 67.05 -73.89 0.09 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.417 0 C-N-CA 128.477 2.711 . . . . 0.0 112.804 166.566 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.19 -112.62 0.52 Allowed Glycine 0 C--N 1.335 0.51 0 N-CA-C 109.444 -1.463 . . . . 0.0 109.444 172.103 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.9 mm -55.75 -35.89 41.1 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.349 0 C-N-CA 124.757 1.223 . . . . 0.0 110.921 -174.624 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.78 -29.95 68.84 Favored Glycine 0 CA--C 1.527 0.813 0 N-CA-C 111.313 -0.715 . . . . 0.0 111.313 -177.219 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.42 -34.42 75.98 Favored 'General case' 0 N--CA 1.454 -0.238 0 CA-C-N 117.83 0.815 . . . . 0.0 110.616 173.416 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.32 -42.73 83.13 Favored 'General case' 0 C--O 1.221 -0.419 0 CA-C-N 118.898 0.772 . . . . 0.0 109.338 172.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.8 m-30 -65.43 -49.59 68.62 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.634 -0.257 . . . . 0.0 111.643 -172.484 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -80.91 -23.87 38.63 Favored 'General case' 0 C--N 1.334 -0.087 0 C-N-CA 120.371 -0.532 . . . . 0.0 110.163 179.317 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.09 -78.42 1.31 Allowed Glycine 0 C--N 1.336 0.56 0 O-C-N 123.615 0.572 . . . . 0.0 111.752 -167.515 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.8 t80 -58.39 -49.33 77.63 Favored 'General case' 0 CA--C 1.54 0.594 0 C-N-CA 124.784 1.234 . . . . 0.0 111.633 -175.95 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.5 tp -68.55 -44.63 74.08 Favored 'General case' 0 CA--C 1.53 0.181 0 C-N-CA 126.175 1.79 . . . . 0.0 110.08 175.489 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.41 -36.44 84.12 Favored Glycine 0 CA--C 1.534 1.236 0 CA-C-O 119.509 -0.606 . . . . 0.0 111.911 -175.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.07 -35.96 82.0 Favored 'General case' 0 CA--C 1.533 0.32 0 CA-C-N 118.491 1.145 . . . . 0.0 111.125 170.935 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.34 15.64 1.19 Allowed 'General case' 0 C--O 1.233 0.203 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 171.238 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.07 49.04 2.14 Favored Glycine 0 CA--C 1.528 0.881 0 C-N-CA 125.319 1.437 . . . . 0.0 111.636 -174.306 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 66.5 m -64.07 149.94 46.49 Favored 'General case' 0 CA--C 1.534 0.352 0 C-N-CA 123.455 0.702 . . . . 0.0 109.668 169.649 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -71.04 -2.1 14.35 Favored 'General case' 0 CA--C 1.544 0.733 0 C-N-CA 125.678 1.591 . . . . 0.0 113.97 -170.28 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.9 m -43.99 158.7 0.04 OUTLIER 'Isoleucine or valine' 0 CA--C 1.539 0.556 0 C-N-CA 126.171 1.789 . . . . 0.0 113.717 168.83 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.31 -110.54 0.93 Allowed Glycine 0 CA--C 1.528 0.873 0 N-CA-C 107.336 -2.306 . . . . 0.0 107.336 155.234 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.58 -13.25 0.02 OUTLIER 'General case' 0 CA--C 1.543 0.692 0 N-CA-C 118.325 2.713 . . . . 0.0 118.325 165.085 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.75 -28.75 69.66 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 120.68 1.582 . . . . 0.0 112.043 178.397 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.2 p -74.42 -10.42 59.55 Favored 'General case' 0 CA--C 1.535 0.389 0 C-N-CA 127.602 2.361 . . . . 0.0 114.007 172.139 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.643 0 N-CA-C 106.837 -2.505 . . . . 0.0 106.837 -138.488 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.918 0 N-CA-C 110.535 -0.172 . . . . 0.0 110.535 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . 0.417 ' H ' HG23 ' A' ' 2' ' ' VAL . 12.6 t -51.17 -13.9 0.31 Allowed 'Isoleucine or valine' 0 N--CA 1.477 0.919 1 C-N-CA 132.439 4.296 . . . . 0.0 115.407 -168.51 . . . . . . . . 3 3 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -82.75 -103.78 0.47 Allowed Glycine 0 CA--C 1.524 0.61 0 C-N-CA 125.313 1.435 . . . . 0.0 109.935 165.532 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 48.1 mm -56.17 -36.84 47.03 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.335 0 C-N-CA 124.183 0.993 . . . . 0.0 111.511 -174.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -70.01 -31.03 69.59 Favored Glycine 0 CA--C 1.526 0.739 0 N-CA-C 111.219 -0.752 . . . . 0.0 111.219 -178.586 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.36 -32.52 72.67 Favored 'General case' 0 N--CA 1.453 -0.315 0 CA-C-N 117.588 0.694 . . . . 0.0 111.32 173.841 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.5 mt -67.58 -42.13 83.02 Favored 'General case' 0 C--O 1.221 -0.446 0 CA-C-N 119.272 0.942 . . . . 0.0 109.682 169.983 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -67.18 -49.73 63.56 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 121.078 -0.249 . . . . 0.0 111.293 -172.978 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -78.63 -23.28 45.95 Favored 'General case' 0 C--O 1.227 -0.111 0 N-CA-C 109.888 -0.412 . . . . 0.0 109.888 179.743 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.15 -79.01 1.35 Allowed Glycine 0 C--N 1.335 0.524 0 CA-C-N 116.279 -0.419 . . . . 0.0 112.209 -169.314 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 50.7 t80 -57.25 -48.9 77.68 Favored 'General case' 0 CA--C 1.539 0.551 0 C-N-CA 125.533 1.533 . . . . 0.0 111.524 -175.855 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.4 tp -72.03 -43.88 64.28 Favored 'General case' 0 CA--C 1.531 0.237 0 C-N-CA 126.275 1.83 . . . . 0.0 110.313 173.657 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.35 -26.26 74.33 Favored Glycine 0 CA--C 1.532 1.134 0 CA-C-N 118.996 0.817 . . . . 0.0 112.422 -174.435 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.11 -34.13 74.47 Favored 'General case' 0 CA--C 1.536 0.44 0 CA-C-N 118.712 1.256 . . . . 0.0 111.69 168.538 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.02 15.37 1.5 Allowed 'General case' 0 C--O 1.235 0.326 0 C-N-CA 124.455 1.102 . . . . 0.0 113.839 169.478 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 33.5 1.06 Allowed Glycine 0 CA--C 1.531 1.038 0 C-N-CA 125.795 1.664 . . . . 0.0 112.213 -175.915 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.6 m -85.56 -24.58 27.17 Favored 'General case' 0 CA--C 1.534 0.36 0 C-N-CA 124.574 1.15 . . . . 0.0 111.399 164.889 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.5 m -90.47 -91.0 0.15 Allowed 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 118.763 0.71 . . . . 0.0 109.087 175.927 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 19.0 m -44.07 135.32 1.28 Allowed 'Isoleucine or valine' 0 CA--C 1.533 0.306 0 CA-C-N 118.779 0.718 . . . . 0.0 110.036 157.723 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -76.23 40.53 1.49 Allowed Glycine 0 CA--C 1.533 1.186 0 C-N-CA 123.805 0.717 . . . . 0.0 113.599 -177.079 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -74.32 45.2 0.22 Allowed 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 126.982 2.113 . . . . 0.0 112.196 -175.8 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -64.54 -28.61 69.76 Favored 'General case' 0 CA--C 1.536 0.42 0 C-N-CA 124.32 1.048 . . . . 0.0 112.42 -177.881 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 22.9 t -79.03 -9.65 59.6 Favored 'General case' 0 CA--C 1.536 0.406 0 C-N-CA 124.499 1.119 . . . . 0.0 112.731 172.099 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.48 0 N-CA-C 108.78 -1.728 . . . . 0.0 108.78 -139.278 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.474 0.767 0 N-CA-C 108.05 -1.093 . . . . 0.0 108.05 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 33.6 t -140.54 -72.61 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.567 0 CA-C-N 118.764 0.711 . . . . 0.0 110.924 -173.073 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -112.36 0.53 Allowed Glycine 0 C--N 1.339 0.696 0 C-N-CA 125.343 1.449 . . . . 0.0 110.722 176.564 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.3 mm -57.86 -34.04 47.29 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.49 0 C-N-CA 124.229 1.012 . . . . 0.0 110.397 -178.244 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.27 -29.13 73.1 Favored Glycine 0 CA--C 1.529 0.908 0 C-N-CA 123.572 0.606 . . . . 0.0 111.974 179.892 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.77 -33.61 74.19 Favored 'General case' 0 N--CA 1.454 -0.236 0 CA-C-N 118.018 0.909 . . . . 0.0 111.169 171.11 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.0 mt -67.92 -39.39 83.54 Favored 'General case' 0 C--O 1.218 -0.554 0 CA-C-N 118.964 0.802 . . . . 0.0 109.151 172.383 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -65.42 -50.13 66.61 Favored 'General case' 0 C--N 1.326 -0.449 0 C-N-CA 119.901 -0.72 . . . . 0.0 111.126 -178.066 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.4 tp -67.25 -37.22 83.16 Favored 'General case' 0 N--CA 1.454 -0.232 0 CA-C-O 121.989 0.899 . . . . 0.0 108.96 -179.074 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -70.4 0.88 Allowed Glycine 0 CA--C 1.519 0.32 0 CA-C-N 114.175 -1.375 . . . . 0.0 112.072 -162.392 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 41.0 t80 -63.55 -49.19 74.43 Favored 'General case' 0 CA--C 1.542 0.643 0 C-N-CA 125.024 1.33 . . . . 0.0 111.175 -176.001 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 3.3 tp -69.42 -43.85 72.56 Favored 'General case' 0 C--O 1.226 -0.161 0 C-N-CA 126.032 1.733 . . . . 0.0 109.69 173.319 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.49 -31.66 74.15 Favored Glycine 0 CA--C 1.532 1.136 0 CA-C-N 119.785 1.175 . . . . 0.0 111.979 -175.333 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.89 -43.13 98.9 Favored 'General case' 0 CA--C 1.534 0.36 0 CA-C-N 118.861 1.331 . . . . 0.0 110.687 169.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.73 15.15 1.45 Allowed 'General case' 0 C--O 1.234 0.242 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 170.114 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.32 28.57 1.2 Allowed Glycine 0 CA--C 1.53 0.976 0 C-N-CA 125.802 1.667 . . . . 0.0 111.703 -175.132 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.5 m -82.47 -59.26 2.59 Favored 'General case' 0 N--CA 1.452 -0.375 0 C-N-CA 125.259 1.424 . . . . 0.0 111.021 -162.539 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 10.0 t -90.51 -43.77 10.02 Favored 'General case' 0 CA--C 1.532 0.279 0 C-N-CA 123.33 0.652 . . . . 0.0 112.189 -179.226 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.0 m -44.02 143.77 0.47 Allowed 'Isoleucine or valine' 0 CA--C 1.534 0.361 0 C-N-CA 124.494 1.118 . . . . 0.0 111.791 168.581 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.98 25.21 1.22 Allowed Glycine 0 CA--C 1.534 1.268 0 CA-C-O 119.063 -0.854 . . . . 0.0 114.026 177.845 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -145.89 82.38 1.62 Allowed 'General case' 0 CA--C 1.532 0.282 0 C-N-CA 125.097 1.359 . . . . 0.0 109.481 -173.598 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -67.06 -28.69 68.41 Favored 'General case' 0 CA--C 1.536 0.412 0 N-CA-C 112.371 0.508 . . . . 0.0 112.371 176.431 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 18.4 t -77.94 -10.25 59.49 Favored 'General case' 0 CA--C 1.536 0.428 0 CA-C-O 117.513 -1.232 . . . . 0.0 114.131 -171.816 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.251 1.174 0 CA-C-O 117.182 -1.899 . . . . 0.0 111.292 -173.326 . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.809 0 N-CA-C 108.945 -0.761 . . . . 0.0 108.945 . . . . . . . . . 0 0 . 1 . 030 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 38.9 t -75.26 -20.45 16.23 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.569 0 C-N-CA 125.002 1.321 . . . . 0.0 111.956 -168.278 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.38 -106.11 0.52 Allowed Glycine 0 C--N 1.335 0.476 0 C-N-CA 125.537 1.542 . . . . 0.0 110.687 173.673 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 49.0 mm -57.82 -36.42 55.34 Favored 'Isoleucine or valine' 0 CA--C 1.53 0.199 0 C-N-CA 125.148 1.379 . . . . 0.0 110.374 -174.502 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.17 -34.82 81.86 Favored Glycine 0 C--N 1.341 0.841 0 N-CA-C 110.808 -0.917 . . . . 0.0 110.808 -177.691 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.35 -32.99 73.48 Favored 'General case' 0 N--CA 1.45 -0.454 0 C-N-CA 123.308 0.643 . . . . 0.0 111.013 176.879 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.92 -44.83 75.95 Favored 'General case' 0 CA--C 1.513 -0.456 0 CA-C-N 118.759 0.709 . . . . 0.0 109.783 170.357 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -65.82 -49.69 67.32 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.375 -0.375 . . . . 0.0 111.243 -169.423 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.9 pp -83.83 -20.62 32.88 Favored 'General case' 0 CA--C 1.522 -0.099 0 C-N-CA 120.704 -0.399 . . . . 0.0 110.661 179.136 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.02 -82.78 1.68 Allowed Glycine 0 C--N 1.336 0.571 0 N-CA-C 110.872 -0.891 . . . . 0.0 110.872 -171.211 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 65.5 t80 -51.64 -48.51 63.31 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 125.091 1.356 . . . . 0.0 111.897 -176.348 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.9 tp -78.74 -52.55 8.22 Favored 'General case' 0 CA--C 1.53 0.202 0 C-N-CA 125.412 1.485 . . . . 0.0 110.213 171.509 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.25 -28.99 72.14 Favored Glycine 0 CA--C 1.529 0.934 0 CA-C-O 118.74 -1.033 . . . . 0.0 114.096 -163.705 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.19 -21.7 49.7 Favored 'General case' 0 CA--C 1.536 0.417 0 CA-C-N 118.595 1.197 . . . . 0.0 112.16 172.622 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 15.59 1.38 Allowed 'General case' 0 N--CA 1.464 0.255 0 C-N-CA 123.988 0.915 . . . . 0.0 112.35 164.471 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.15 46.7 1.87 Allowed Glycine 0 CA--C 1.525 0.679 0 C-N-CA 125.499 1.523 . . . . 0.0 111.398 -173.697 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 17.9 m -63.87 -28.01 69.55 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 123.642 0.777 . . . . 0.0 110.416 172.653 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 60.1 m -75.3 86.83 2.5 Favored 'General case' 0 CA--C 1.534 0.34 0 N-CA-C 106.269 -1.752 . . . . 0.0 106.269 154.454 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.6 t -43.84 -19.96 0.08 OUTLIER 'Isoleucine or valine' 0 CA--C 1.544 0.722 0 C-N-CA 129.147 2.979 . . . . 0.0 115.759 -172.086 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.3 56.44 1.95 Allowed Glycine 0 CA--C 1.533 1.211 0 CA-C-N 119.968 1.258 . . . . 0.0 111.427 171.064 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -156.22 -175.2 5.3 Favored 'General case' 0 CA--C 1.538 0.488 0 C-N-CA 128.091 2.556 . . . . 0.0 108.194 -175.475 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.21 -27.72 68.63 Favored 'General case' 0 CA--C 1.537 0.475 0 C-N-CA 123.477 0.711 . . . . 0.0 112.84 -174.738 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.2 m -62.49 -10.16 10.88 Favored 'General case' 0 CA--C 1.544 0.721 0 N-CA-C 114.654 1.353 . . . . 0.0 114.654 172.266 . . . . . . . . 1 1 . 1 . 030 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.25 1.116 0 CA-C-O 117.356 -1.802 . . . . 0.0 110.718 179.014 . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.905 0 CA-C-O 116.727 -1.606 . . . . 0.0 108.73 . . . . . . . . . 0 0 . 1 . 031 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 35.2 t -120.9 -51.0 3.34 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.561 0 CA-C-N 120.31 1.414 . . . . 0.0 113.563 -160.048 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.3 -115.82 0.57 Allowed Glycine 0 C--N 1.341 0.827 0 CA-C-N 119.811 1.187 . . . . 0.0 110.408 176.285 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 44.1 mm -62.84 -31.63 53.03 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.539 0 CA-C-O 121.73 0.776 . . . . 0.0 109.568 177.897 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.4 -15.8 75.24 Favored Glycine 0 CA--C 1.529 0.956 0 C-N-CA 125.729 1.633 . . . . 0.0 113.287 176.623 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.86 -44.83 72.53 Favored 'General case' 0 C--N 1.341 0.213 0 CA-C-N 119.585 1.693 . . . . 0.0 109.595 161.885 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 9.9 mt -66.15 -39.87 90.12 Favored 'General case' 0 C--O 1.222 -0.385 0 N-CA-C 109.565 -0.531 . . . . 0.0 109.565 -175.942 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 8.2 m-30 -57.91 -49.55 76.37 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-O 121.812 0.815 . . . . 0.0 112.397 179.717 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.2 tp -77.88 -36.85 49.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 115.342 -0.844 . . . . 0.0 108.876 -177.195 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -100.9 -71.8 0.96 Allowed Glycine 0 C--O 1.226 -0.356 0 CA-C-N 114.672 -1.149 . . . . 0.0 111.827 -161.432 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 53.5 t80 -60.52 -49.02 79.2 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 124.441 1.097 . . . . 0.0 111.035 -176.418 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 10.6 tp -66.84 -47.12 72.96 Favored 'General case' 0 CA--C 1.529 0.144 0 C-N-CA 125.808 1.643 . . . . 0.0 110.048 172.752 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.62 -27.5 73.78 Favored Glycine 0 CA--C 1.53 1.011 0 CA-C-N 119.083 0.856 . . . . 0.0 112.501 -173.319 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.03 -39.79 91.12 Favored 'General case' 0 CA--C 1.535 0.375 0 CA-C-N 119.123 1.461 . . . . 0.0 110.927 169.157 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.97 13.95 2.02 Favored 'General case' 0 CA--C 1.532 0.256 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 169.299 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.92 38.25 1.3 Allowed Glycine 0 CA--C 1.529 0.932 0 C-N-CA 125.09 1.329 . . . . 0.0 110.434 168.83 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 4.3 p -86.1 37.99 0.74 Allowed 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 127.082 2.153 . . . . 0.0 112.859 -173.369 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.3 p -68.26 168.44 12.36 Favored 'General case' 0 CA--C 1.542 0.651 0 C-N-CA 123.739 0.815 . . . . 0.0 110.905 171.729 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.1 m -43.74 -51.58 1.41 Allowed 'Isoleucine or valine' 0 N--CA 1.47 0.559 0 C-N-CA 125.553 1.541 . . . . 0.0 113.85 178.929 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.04 131.96 10.92 Favored Glycine 0 CA--C 1.524 0.597 0 N-CA-C 105.837 -2.905 . . . . 0.0 105.837 152.771 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.48 -166.94 1.18 Allowed 'General case' 0 CA--C 1.534 0.349 0 C-N-CA 124.955 1.302 . . . . 0.0 110.803 -162.475 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.09 -28.06 68.81 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 123.877 0.871 . . . . 0.0 112.196 179.005 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.9 t -78.51 -9.81 59.47 Favored 'General case' 0 CA--C 1.541 0.614 0 CA-C-O 117.365 -1.302 . . . . 0.0 113.655 173.076 . . . . . . . . 1 1 . 1 . 031 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.254 1.365 0 CA-C-O 117.633 -1.648 . . . . 0.0 109.097 -161.675 . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.868 0 CA-C-O 116.625 -1.655 . . . . 0.0 108.805 . . . . . . . . . 0 0 . 1 . 032 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.4 t -119.52 -56.18 3.53 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 CA-C-N 120.37 1.441 . . . . 0.0 113.302 -160.845 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.45 -115.4 0.58 Allowed Glycine 0 C--N 1.341 0.821 0 N-CA-C 110.489 -1.044 . . . . 0.0 110.489 176.522 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 45.6 mm -61.26 -32.91 54.31 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.565 0 C-N-CA 123.85 0.86 . . . . 0.0 109.679 178.878 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.46 -17.01 75.94 Favored Glycine 0 CA--C 1.531 1.051 0 C-N-CA 125.613 1.578 . . . . 0.0 113.512 176.538 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.73 -45.17 72.23 Favored 'General case' 0 C--N 1.341 0.22 0 CA-C-N 119.724 1.762 . . . . 0.0 109.346 162.278 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.7 mt -63.25 -38.87 92.85 Favored 'General case' 0 C--O 1.219 -0.525 0 C-N-CA 123.326 0.65 . . . . 0.0 109.353 -177.925 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 3.1 m-30 -58.34 -49.77 76.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-O 122.015 0.912 . . . . 0.0 111.866 178.845 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 13.1 tp -74.44 -36.55 63.38 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.155 -0.929 . . . . 0.0 109.032 -176.041 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.52 -69.04 0.84 Allowed Glycine 0 CA--C 1.523 0.544 0 CA-C-N 114.426 -1.261 . . . . 0.0 112.793 -163.657 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -66.75 -49.23 66.64 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 125.142 1.377 . . . . 0.0 110.991 -174.467 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 6.3 tp -65.63 -40.96 93.1 Favored 'General case' 0 C--O 1.225 -0.218 0 C-N-CA 125.815 1.646 . . . . 0.0 109.56 170.192 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.43 -30.18 73.22 Favored Glycine 0 CA--C 1.532 1.13 0 CA-C-N 119.135 0.879 . . . . 0.0 112.417 -176.243 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.3 -40.87 95.77 Favored 'General case' 0 CA--C 1.536 0.418 0 CA-C-N 119.156 1.478 . . . . 0.0 110.802 167.414 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.45 13.24 2.05 Favored 'General case' 0 CA--C 1.534 0.332 0 N-CA-C 113.844 1.053 . . . . 0.0 113.844 170.973 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.73 7.45 26.75 Favored Glycine 0 CA--C 1.532 1.132 0 C-N-CA 126.084 1.802 . . . . 0.0 110.708 156.977 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 49.2 m -64.8 -31.42 72.64 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 124.413 1.085 . . . . 0.0 110.856 165.156 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 6.3 t -90.71 157.64 17.33 Favored 'General case' 0 CA--C 1.536 0.423 0 CA-C-N 119.497 1.044 . . . . 0.0 109.234 156.971 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -44.0 119.14 0.36 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.553 0 C-N-CA 124.394 1.078 . . . . 0.0 112.14 167.713 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.06 167.47 26.59 Favored Glycine 0 CA--C 1.531 1.064 0 N-CA-C 110.504 -1.038 . . . . 0.0 110.504 167.633 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -144.63 -176.67 5.15 Favored 'General case' 0 CA--C 1.538 0.516 0 C-N-CA 124.996 1.318 . . . . 0.0 111.433 -176.952 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.5 -28.16 69.1 Favored 'General case' 0 CA--C 1.537 0.445 0 C-N-CA 123.95 0.9 . . . . 0.0 112.308 179.965 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.7 p -68.04 -10.82 56.76 Favored 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.545 1.938 . . . . 0.0 114.036 172.001 . . . . . . . . 1 1 . 1 . 032 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.246 0.905 0 N-CA-C 105.442 -3.063 . . . . 0.0 105.442 -138.52 . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.864 0 CA-C-O 118.271 -0.871 . . . . 0.0 108.931 . . . . . . . . . 0 0 . 1 . 033 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 1.3 m -138.1 -61.21 0.36 Allowed 'Isoleucine or valine' 0 N--CA 1.467 0.384 0 N-CA-C 113.742 1.016 . . . . 0.0 113.742 -167.214 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.5 -113.63 0.56 Allowed Glycine 0 C--N 1.337 0.616 0 C-N-CA 124.595 1.093 . . . . 0.0 110.774 179.271 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 46.4 mm -55.41 -35.29 36.77 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.342 0 C-N-CA 125.092 1.357 . . . . 0.0 110.476 -177.465 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.93 -32.88 73.89 Favored Glycine 0 CA--C 1.529 0.939 0 N-CA-C 111.58 -0.608 . . . . 0.0 111.58 -178.208 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.47 -34.84 76.64 Favored 'General case' 0 N--CA 1.454 -0.271 0 CA-C-N 117.417 0.608 . . . . 0.0 110.784 173.681 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.1 mt -66.19 -42.79 88.37 Favored 'General case' 0 C--O 1.222 -0.388 0 CA-C-N 118.953 0.797 . . . . 0.0 109.422 172.599 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.4 m-30 -65.41 -49.65 68.4 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.163 -172.445 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.3 pp -78.44 -23.09 46.75 Favored 'General case' 0 N--CA 1.461 0.116 0 C-N-CA 119.903 -0.719 . . . . 0.0 110.465 178.847 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.21 -81.91 1.6 Allowed Glycine 0 C--N 1.335 0.511 0 C-N-CA 123.388 0.518 . . . . 0.0 112.446 -168.708 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 70.1 t80 -53.16 -48.92 67.58 Favored 'General case' 0 CA--C 1.538 0.512 0 C-N-CA 126.366 1.866 . . . . 0.0 111.516 -177.303 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -73.92 -48.38 31.15 Favored 'General case' 0 CA--C 1.53 0.191 0 C-N-CA 126.039 1.736 . . . . 0.0 110.186 173.616 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.49 -30.84 73.25 Favored Glycine 0 CA--C 1.53 1.024 0 CA-C-O 119.202 -0.777 . . . . 0.0 112.632 -168.464 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.6 -33.96 74.8 Favored 'General case' 0 CA--C 1.534 0.338 0 CA-C-N 118.673 1.237 . . . . 0.0 111.578 170.906 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.15 15.26 1.58 Allowed 'General case' 0 C--N 1.34 0.172 0 N-CA-C 114.28 1.215 . . . . 0.0 114.28 170.971 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.93 22.58 1.45 Allowed Glycine 0 CA--C 1.532 1.095 0 C-N-CA 124.133 0.873 . . . . 0.0 112.383 -175.229 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 45.1 m -71.55 70.15 0.64 Allowed 'General case' 0 CA--C 1.535 0.39 0 C-N-CA 126.606 1.962 . . . . 0.0 111.567 -176.595 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.5 p -79.37 -170.96 2.51 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 121.283 0.563 . . . . 0.0 110.301 173.093 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 7.1 m -43.57 -48.86 1.65 Allowed 'Isoleucine or valine' 0 CA--C 1.538 0.481 0 C-N-CA 124.21 1.004 . . . . 0.0 112.058 160.305 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.53 167.9 26.27 Favored Glycine 0 CA--C 1.53 1.026 0 C-N-CA 124.582 1.087 . . . . 0.0 111.198 167.385 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 49.63 51.71 15.94 Favored 'General case' 0 CA--C 1.537 0.461 0 C-N-CA 124.603 1.161 . . . . 0.0 112.013 176.677 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.31 -28.51 69.25 Favored 'General case' 0 CA--C 1.54 0.578 0 O-C-N 121.646 -0.659 . . . . 0.0 111.632 -176.31 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.5 p -70.76 -11.91 61.24 Favored 'General case' 0 CA--C 1.536 0.43 0 C-N-CA 127.833 2.453 . . . . 0.0 114.747 172.492 . . . . . . . . 1 1 . 1 . 033 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.26 1.743 0 N-CA-C 109.45 -1.46 . . . . 0.0 109.45 -139.136 . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.932 0 CA-C-O 117.299 -1.334 . . . . 0.0 108.908 . . . . . . . . . 0 0 . 1 . 034 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 42.3 t -117.8 -46.31 3.58 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.51 0 CA-C-N 119.589 1.086 . . . . 0.0 112.574 -167.3 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.31 -115.73 0.57 Allowed Glycine 0 C--N 1.341 0.858 0 CA-C-O 122.631 1.128 . . . . 0.0 110.516 175.298 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 40.4 mm -61.11 -35.89 68.73 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.477 0 C-N-CA 123.962 0.905 . . . . 0.0 109.935 -178.289 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.68 -14.58 75.31 Favored Glycine 0 CA--C 1.528 0.879 0 CA-C-O 118.032 -1.426 . . . . 0.0 113.999 176.463 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.97 -43.23 75.37 Favored 'General case' 0 C--N 1.343 0.309 0 CA-C-N 120.375 2.088 . . . . 0.0 109.68 161.461 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.7 mt -62.83 -37.49 87.0 Favored 'General case' 0 C--O 1.22 -0.448 0 C-N-CA 123.292 0.637 . . . . 0.0 109.327 -178.658 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.6 m-30 -60.94 -50.16 74.52 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.022 0.439 . . . . 0.0 111.294 -174.12 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 4.5 pp -84.22 -19.34 34.12 Favored 'General case' 0 N--CA 1.467 0.386 0 CA-C-N 116.037 -0.529 . . . . 0.0 111.775 179.692 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.01 -74.75 1.07 Allowed Glycine 0 C--O 1.224 -0.492 0 C-N-CA 124.389 0.995 . . . . 0.0 111.869 -168.316 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 62.6 t80 -66.84 -49.31 66.15 Favored 'General case' 0 CA--C 1.538 0.484 0 C-N-CA 125.607 1.563 . . . . 0.0 110.95 -176.264 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.4 tp -73.77 -40.01 63.77 Favored 'General case' 0 CA--C 1.533 0.296 0 C-N-CA 126.493 1.917 . . . . 0.0 109.727 175.166 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.45 -29.28 72.98 Favored Glycine 0 CA--C 1.534 1.22 0 CA-C-O 118.891 -0.949 . . . . 0.0 112.64 178.913 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -64.17 -33.44 75.79 Favored 'General case' 0 CA--C 1.534 0.331 0 CA-C-N 119.517 1.658 . . . . 0.0 111.474 168.37 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.81 15.7 1.34 Allowed 'General case' 0 C--O 1.234 0.239 0 C-N-CA 124.628 1.171 . . . . 0.0 113.775 168.514 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.05 42.12 1.34 Allowed Glycine 0 CA--C 1.53 0.98 0 C-N-CA 125.626 1.584 . . . . 0.0 111.707 -177.955 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 23.1 m -81.51 -45.41 15.98 Favored 'General case' 0 CA--C 1.533 0.291 0 C-N-CA 125.067 1.347 . . . . 0.0 110.325 171.477 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 11.5 m -90.42 -81.77 0.29 Allowed 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 124.158 0.983 . . . . 0.0 109.249 -177.517 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.7 m -44.17 149.93 0.2 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.418 0 C-N-CA 124.426 1.09 . . . . 0.0 111.268 155.286 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.44 -42.99 39.34 Favored Glycine 0 CA--C 1.532 1.121 0 N-CA-C 111.461 -0.656 . . . . 0.0 111.461 172.89 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 48.57 -9.28 0.0 OUTLIER 'General case' 0 CA--C 1.544 0.748 0 C-N-CA 130.967 3.707 . . . . 0.0 120.167 166.805 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.75 -28.69 69.62 Favored 'General case' 0 CA--C 1.536 0.441 0 CA-C-N 120.823 1.647 . . . . 0.0 112.126 179.717 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.2 m -74.59 -17.27 60.74 Favored 'General case' 0 CA--C 1.537 0.472 0 C-N-CA 124.828 1.251 . . . . 0.0 113.138 175.721 . . . . . . . . 1 1 . 1 . 034 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.253 1.335 0 CA-C-O 117.464 -1.742 . . . . 0.0 109.428 -162.738 . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.478 0.966 0 CA-C-O 118.058 -0.972 . . . . 0.0 109.216 . . . . . . . . . 0 0 . 1 . 035 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 20.0 t -131.22 -89.11 0.07 OUTLIER 'Isoleucine or valine' 0 CA--C 1.54 0.596 0 CA-C-N 118.82 0.736 . . . . 0.0 111.903 -172.913 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.57 -115.38 0.6 Allowed Glycine 0 C--N 1.341 0.844 0 C-N-CA 125.196 1.379 . . . . 0.0 111.802 -175.309 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 50.5 mm -57.84 -33.85 46.73 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.392 0 C-N-CA 124.749 1.22 . . . . 0.0 110.346 -178.293 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.2 -32.71 83.03 Favored Glycine 0 CA--C 1.527 0.808 0 N-CA-C 111.469 -0.652 . . . . 0.0 111.469 -179.986 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.64 -32.73 72.8 Favored 'General case' 0 N--CA 1.45 -0.434 0 CA-C-N 117.444 0.622 . . . . 0.0 111.438 174.111 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 7.8 mt -68.63 -43.94 75.28 Favored 'General case' 0 CA--C 1.516 -0.338 0 CA-C-N 119.069 0.849 . . . . 0.0 110.189 171.595 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -64.32 -49.69 70.77 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.526 -171.951 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.4 tp -77.65 -38.54 47.52 Favored 'General case' 0 N--CA 1.449 -0.498 0 N-CA-C 108.573 -0.899 . . . . 0.0 108.573 177.052 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -96.0 -72.22 1.12 Allowed Glycine 0 N--CA 1.462 0.393 0 N-CA-C 111.242 -0.743 . . . . 0.0 111.242 -160.933 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -55.24 -48.81 73.42 Favored 'General case' 0 CA--C 1.538 0.514 0 C-N-CA 123.686 0.794 . . . . 0.0 111.271 -178.318 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 13.5 tp -72.09 -50.99 23.67 Favored 'General case' 0 CA--C 1.529 0.162 0 C-N-CA 125.476 1.51 . . . . 0.0 110.804 175.682 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -69.27 -20.3 74.98 Favored Glycine 0 CA--C 1.531 1.085 0 CA-C-N 119.724 1.147 . . . . 0.0 113.535 -173.785 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -61.8 -38.76 89.29 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 119.528 1.664 . . . . 0.0 110.789 166.082 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.84 14.95 1.55 Allowed 'General case' 0 C--O 1.233 0.224 0 C-N-CA 124.661 1.184 . . . . 0.0 113.422 167.531 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.13 29.37 1.14 Allowed Glycine 0 CA--C 1.529 0.931 0 C-N-CA 125.585 1.564 . . . . 0.0 111.785 -179.617 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.7 m -72.09 -20.92 61.58 Favored 'General case' 0 CA--C 1.535 0.395 0 C-N-CA 124.882 1.273 . . . . 0.0 111.018 169.609 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 23.3 m -90.45 -107.56 0.09 Allowed 'General case' 0 CA--C 1.538 0.508 0 N-CA-C 108.267 -1.012 . . . . 0.0 108.267 166.769 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.0 m -44.14 114.59 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.343 0.307 0 C-N-CA 124.641 1.176 . . . . 0.0 111.794 164.592 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -74.4 135.73 20.08 Favored Glycine 0 CA--C 1.527 0.793 0 N-CA-C 109.585 -1.406 . . . . 0.0 109.585 178.126 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -69.69 84.25 0.45 Allowed 'General case' 0 CA--C 1.535 0.39 0 N-CA-C 108.699 -0.852 . . . . 0.0 108.699 169.479 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.33 -28.03 68.92 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 124.661 1.184 . . . . 0.0 112.723 -170.418 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 6.0 p -64.58 -19.87 65.91 Favored 'General case' 0 CA--C 1.536 0.431 0 C-N-CA 126.067 1.747 . . . . 0.0 113.84 173.253 . . . . . . . . 1 1 . 1 . 035 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.599 0 CA-C-O 117.833 -1.537 . . . . 0.0 109.46 -141.428 . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.476 0.863 0 CA-C-O 117.38 -1.295 . . . . 0.0 108.394 . . . . . . . . . 0 0 . 1 . 036 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 19.5 t 69.25 -52.9 0.25 Allowed 'Isoleucine or valine' 0 N--CA 1.473 0.695 0 C-N-CA 127.825 2.45 . . . . 0.0 114.593 166.766 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.21 -110.49 0.51 Allowed Glycine 0 CA--C 1.522 0.527 0 C-N-CA 125.241 1.401 . . . . 0.0 109.81 169.733 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.0 mm -57.09 -34.5 45.29 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.394 0 C-N-CA 123.995 0.918 . . . . 0.0 110.833 -176.44 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -68.14 -31.47 74.89 Favored Glycine 0 CA--C 1.527 0.815 0 CA-C-O 119.52 -0.6 . . . . 0.0 111.924 -179.906 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.54 -31.67 71.07 Favored 'General case' 0 N--CA 1.454 -0.251 0 CA-C-N 117.923 0.861 . . . . 0.0 111.006 172.957 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.9 mt -67.55 -40.72 84.99 Favored 'General case' 0 C--O 1.219 -0.507 0 CA-C-N 119.174 0.897 . . . . 0.0 109.104 169.391 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 6.1 t80 -66.66 -49.37 66.38 Favored 'General case' 0 C--N 1.323 -0.56 0 C-N-CA 123.129 0.572 . . . . 0.0 111.816 -170.582 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.4 pp -77.98 -23.75 48.3 Favored 'General case' 0 C--N 1.334 -0.075 0 CA-C-N 115.909 -0.587 . . . . 0.0 110.002 175.682 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.14 -80.77 1.5 Allowed Glycine 0 C--N 1.336 0.555 0 O-C-N 123.687 0.617 . . . . 0.0 112.682 -166.783 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 57.3 t80 -55.94 -48.95 74.79 Favored 'General case' 0 CA--C 1.54 0.574 0 C-N-CA 126.25 1.82 . . . . 0.0 111.731 -178.085 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 11.5 tp -69.43 -44.3 71.62 Favored 'General case' 0 CA--C 1.531 0.238 0 C-N-CA 126.114 1.766 . . . . 0.0 110.03 174.141 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.34 -27.87 73.55 Favored Glycine 0 CA--C 1.534 1.253 0 CA-C-N 118.788 0.722 . . . . 0.0 112.143 -175.507 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -62.97 -29.3 70.7 Favored 'General case' 0 CA--C 1.535 0.37 0 CA-C-N 118.611 1.206 . . . . 0.0 112.037 169.635 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.83 15.58 1.38 Allowed 'General case' 0 C--O 1.237 0.444 0 C-N-CA 124.247 1.019 . . . . 0.0 113.629 170.642 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.83 56.99 2.63 Favored Glycine 0 CA--C 1.528 0.854 0 C-N-CA 127.061 2.267 . . . . 0.0 110.545 -173.485 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.9 p -64.1 70.94 0.03 OUTLIER 'General case' 0 N--CA 1.447 -0.603 1 C-N-CA 131.842 4.057 . . . . 0.0 110.73 179.302 . . . . . . . . 2 2 . 1 . 036 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.6 t -67.82 109.22 3.28 Favored 'General case' 0 N--CA 1.452 -0.344 0 N-CA-C 108.075 -1.083 . . . . 0.0 108.075 173.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 44.7 t -44.2 -30.99 0.65 Allowed 'Isoleucine or valine' 0 CA--C 1.546 0.811 0 C-N-CA 125.498 1.519 . . . . 0.0 112.505 158.192 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -95.44 -148.57 24.42 Favored Glycine 0 C--N 1.343 0.924 0 C-N-CA 125.694 1.616 . . . . 0.0 111.326 176.875 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.04 177.83 7.1 Favored 'General case' 0 CA--C 1.538 0.489 0 CA-C-O 121.503 0.668 . . . . 0.0 110.27 167.198 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.9 -28.6 69.63 Favored 'General case' 0 CA--C 1.536 0.409 0 C-N-CA 124.132 0.973 . . . . 0.0 112.073 175.228 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 7.3 p -74.2 -11.04 60.18 Favored 'General case' 0 CA--C 1.535 0.386 0 C-N-CA 126.218 1.807 . . . . 0.0 113.553 173.568 . . . . . . . . 1 1 . 1 . 036 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.256 1.526 0 N-CA-C 106.211 -2.755 . . . . 0.0 106.211 -138.757 . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.477 0.879 0 CA-C-O 120.602 0.239 . . . . 0.0 111.608 . . . . . . . . . 0 0 . 1 . 037 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 17.4 t 35.87 -63.98 0.0 OUTLIER 'Isoleucine or valine' 0 N--CA 1.473 0.706 1 C-N-CA 133.381 4.672 . . . . 0.0 117.236 160.351 . . . . . . . . 2 2 . 1 . 037 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.15 -107.21 0.5 Allowed Glycine 0 N--CA 1.451 -0.364 0 N-CA-C 109.895 -1.282 . . . . 0.0 109.895 172.241 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 42.8 mm -53.86 -38.56 36.64 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.25 0 C-N-CA 124.786 1.235 . . . . 0.0 111.09 -174.895 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -71.2 -29.03 69.11 Favored Glycine 0 C--N 1.34 0.751 0 CA-C-O 119.344 -0.698 . . . . 0.0 111.606 -177.311 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.49 -33.14 73.63 Favored 'General case' 0 C--O 1.223 -0.336 0 CA-C-N 117.821 0.81 . . . . 0.0 110.855 172.791 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 8.5 mt -66.21 -41.03 90.7 Favored 'General case' 0 C--O 1.22 -0.456 0 CA-C-N 119.496 1.044 . . . . 0.0 109.488 169.574 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 15.5 t80 -67.61 -49.47 62.89 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.205 0.526 . . . . 0.0 111.887 -169.71 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 pp -79.47 -23.47 43.04 Favored 'General case' 0 N--CA 1.457 -0.114 0 CA-C-N 115.886 -0.597 . . . . 0.0 109.662 176.096 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -102.1 -78.7 1.33 Allowed Glycine 0 C--N 1.338 0.639 0 O-C-N 123.697 0.623 . . . . 0.0 112.444 -166.418 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 76.3 t80 -57.97 -49.18 77.69 Favored 'General case' 0 CA--C 1.54 0.588 0 C-N-CA 125.166 1.387 . . . . 0.0 111.564 -177.385 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 12.6 tp -68.75 -44.39 73.86 Favored 'General case' 0 CA--C 1.531 0.241 0 C-N-CA 126.049 1.739 . . . . 0.0 110.031 175.29 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.4 -32.94 76.25 Favored Glycine 0 CA--C 1.533 1.159 0 CA-C-O 119.483 -0.621 . . . . 0.0 112.028 -176.121 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -63.39 -34.63 78.14 Favored 'General case' 0 CA--C 1.534 0.342 0 CA-C-N 118.616 1.208 . . . . 0.0 111.246 170.377 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.57 15.32 1.34 Allowed 'General case' 0 C--O 1.238 0.455 0 N-CA-C 113.904 1.075 . . . . 0.0 113.904 170.707 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -74.98 65.42 2.25 Favored Glycine 0 CA--C 1.524 0.607 0 C-N-CA 126.559 2.028 . . . . 0.0 109.682 -168.31 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 27.6 m -67.12 64.21 0.06 Allowed 'General case' 0 CA--C 1.538 0.508 0 C-N-CA 129.586 3.154 . . . . 0.0 112.351 -169.934 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 7.3 t -68.15 150.1 48.76 Favored 'General case' 0 CA--C 1.533 0.292 0 C-N-CA 124.828 1.251 . . . . 0.0 110.433 176.58 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 29.4 m -44.08 152.34 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.539 0.532 0 C-N-CA 123.084 0.554 . . . . 0.0 111.227 146.929 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -73.7 174.44 48.41 Favored Glycine 0 CA--C 1.533 1.196 0 N-CA-C 110.596 -1.002 . . . . 0.0 110.596 164.945 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . 56.08 16.37 2.19 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 125.971 1.708 . . . . 0.0 114.794 -179.874 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -62.21 -28.85 69.97 Favored 'General case' 0 CA--C 1.538 0.49 0 O-C-N 121.146 -0.971 . . . . 0.0 112.727 -178.84 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.2 m -78.46 -10.27 59.63 Favored 'General case' 0 CA--C 1.535 0.392 0 C-N-CA 125.06 1.344 . . . . 0.0 112.913 174.303 . . . . . . . . 1 1 . 1 . 037 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.247 0.934 0 CA-C-O 116.431 -2.316 . . . . 0.0 108.28 -139.011 . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 1' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.475 0.781 0 CA-C-O 117.696 -1.145 . . . . 0.0 108.261 . . . . . . . . . 0 0 . 1 . 038 nuclear nobuild full ' A' A ' 2' ' ' VAL . . . . . . . . . . . . . 21.9 t -140.18 -73.03 0.11 Allowed 'Isoleucine or valine' 0 N--CA 1.471 0.586 0 CA-C-N 118.831 0.741 . . . . 0.0 111.133 -173.146 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -83.43 -111.79 0.54 Allowed Glycine 0 C--N 1.339 0.718 0 C-N-CA 125.444 1.497 . . . . 0.0 110.893 175.354 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 4' ' ' ILE . . . . . . . . . . . . . 41.1 mm -57.81 -33.5 45.69 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.493 0 C-N-CA 124.138 0.975 . . . . 0.0 110.499 -178.487 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 5' ' ' GLY . . . . . . . . . . . . . . . -66.26 -32.02 80.83 Favored Glycine 0 CA--C 1.529 0.957 0 C-N-CA 123.996 0.808 . . . . 0.0 111.806 178.827 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 6' ' ' ALA . . . . . . . . . . . . . . . -68.83 -33.33 73.65 Favored 'General case' 0 N--CA 1.454 -0.27 0 CA-C-N 117.729 0.764 . . . . 0.0 111.428 172.329 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 10.8 mt -67.46 -41.6 84.39 Favored 'General case' 0 C--O 1.219 -0.509 0 CA-C-N 119.046 0.839 . . . . 0.0 108.931 172.54 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 8' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 -62.85 -49.71 73.82 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 121.736 0.779 . . . . 0.0 111.873 -177.364 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 12.5 tp -69.75 -38.41 76.8 Favored 'General case' 0 N--CA 1.451 -0.421 0 N-CA-C 108.785 -0.82 . . . . 0.0 108.785 179.126 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -101.57 -73.88 1.04 Allowed Glycine 0 C--O 1.227 -0.34 0 CA-C-N 114.53 -1.214 . . . . 0.0 112.291 -159.981 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 11' ' ' PHE . . . . . . . . . . . . . 47.4 t80 -58.1 -49.06 78.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 125.046 1.339 . . . . 0.0 111.19 -177.374 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 12' ' ' LEU . . . . . . . . . . . . . 8.4 tp -68.61 -48.21 64.71 Favored 'General case' 0 CA--C 1.529 0.135 0 C-N-CA 126.712 2.005 . . . . 0.0 109.866 173.227 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -68.62 -27.15 74.02 Favored Glycine 0 CA--C 1.529 0.959 0 CA-C-N 119.133 0.879 . . . . 0.0 112.588 -172.392 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -60.99 -39.47 89.8 Favored 'General case' 0 CA--C 1.533 0.314 0 CA-C-N 118.857 1.329 . . . . 0.0 110.967 169.479 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -80.1 14.25 1.95 Allowed 'General case' 0 CA--C 1.529 0.173 0 N-CA-C 114.334 1.235 . . . . 0.0 114.334 170.301 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 16' ' ' GLY . . . . . . . . . . . . . . . -75.5 35.38 1.16 Allowed Glycine 0 CA--C 1.529 0.93 0 C-N-CA 124.929 1.252 . . . . 0.0 111.38 176.745 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.2 m -63.92 -33.14 75.03 Favored 'General case' 0 CA--C 1.532 0.252 0 C-N-CA 125.2 1.4 . . . . 0.0 111.984 -164.779 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 4.6 m -76.54 56.49 1.12 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.092 1.357 . . . . 0.0 109.18 170.594 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.8 m -43.74 114.73 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.536 0.414 0 C-N-CA 126.257 1.823 . . . . 0.0 112.119 179.396 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -87.26 -25.67 33.01 Favored Glycine 0 CA--C 1.528 0.854 0 CA-C-O 119.575 -0.57 . . . . 0.0 113.442 -168.948 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -151.31 60.92 0.9 Allowed 'General case' 0 CA--C 1.533 0.297 0 C-N-CA 124.954 1.302 . . . . 0.0 108.816 -179.352 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 22' ' ' ALA . . . . . . . . . . . . . . . -61.64 -28.41 69.36 Favored 'General case' 0 CA--C 1.536 0.415 0 O-C-N 121.857 -0.527 . . . . 0.0 111.992 -178.199 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 3.9 p -71.31 -13.56 61.92 Favored 'General case' 0 CA--C 1.535 0.397 0 C-N-CA 126.995 2.118 . . . . 0.0 114.018 172.866 . . . . . . . . 1 1 . 1 . 038 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--O 1.258 1.618 0 CA-C-O 118.219 -1.323 . . . . 0.0 110.033 -139.468 . . . . . . . . 0 0 . 1 stop_ save_